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Einträge mit Organisationseinheit "11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Materialmodellierung"

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Anzahl der Einträge auf dieser Ebene: 226.

A

Azim, M.A. ; Gorr, B. ; Christ, H.-J. ; Lenchuk, O. ; Albe, K. ; Schliephake, D. ; Heilmaier, M. :
Effect of Ti content and nitrogen on the high-temperature oxidation behavior of (Mo,Ti) 5 Si 3.
[Online-Edition: https://doi.org/10.1016/j.intermet.2017.05.023]
In: Intermetallics, 90 pp. 103-112. ISSN 09669795
[Artikel], (2017) (Eingereicht)

Adjaoud, Omar ; Albe, Karsten :
Interfaces and interphases in nanoglasses: Surface segregation effects and their implications on structural properties.
[Online-Edition: http://dx.doi.org/10.1016/j.actamat.2016.05.002]
In: Acta Materialia, 113 pp. 284-292. ISSN 13596454
[Artikel], (2016)

Abou-Ras, Daniel ; Schmidt, Sebastian S. ; Schäfer, Norbert ; Kavalakkatt, Jaison ; Rissom, Thorsten ; Unold, Thomas ; Kirchartz, Thomas ; Simsek Sanli, Ekin ; van Aken, Peter A. ; Ramasse, Quentin M. ; Kleebe, Hans-Joachim ; Azulay, Doron ; Balberg, Isaac ; Millo, Oded ; Cojocaru-Mirédin, Oana ; Barragan-Yani, Daniel ; Albe, Karsten ; Haarstrich, Jakob ; Ronning, Carsten :
Compositional and electrical properties of line and planar defects in Cu(In,Ga)Se2thin films for solar cells - a review.
[Online-Edition: http://dx.doi.org/10.1002/pssr.201510440]
In: physica status solidi (RRL) - Rapid Research Letters pp. 1-13. ISSN 18626254
[Artikel], (2016)

Avchaciov, K. A. ; Ritter, Y. ; Djurabekova, F. ; Nordlund, K. ; Albe, K. :
Effect of ion irradiation on structural properties of Cu64Zr36 metallic glass.
[Online-Edition: http://dx.doi.org/10.1016/j.nimb.2014.06.036]
In: Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, 341 pp. 22-26. ISSN 0168583X
[Artikel], (2014)

Albe, Karsten ; Ritter, Yvonne ; Şopu, Daniel :
Enhancing the plasticity of metallic glasses: Shear band formation, nanocomposites and nanoglasses investigated by molecular dynamics simulations.
[Online-Edition: http://dx.doi.org/10.1016/j.mechmat.2013.06.004]
In: Mechanics of Materials, 67 pp. 94-103. ISSN 01676636
[Artikel], (2013)

Avchaciov, K. A. ; Ritter, Y. ; Djurabekova, F. ; Nordlund, K. ; Albe, K. :
Controlled softening of Cu64Zr36 metallic glass by ion irradiation.
[Online-Edition: http://dx.doi.org/10.1063/1.4804630]
In: Applied Physics Letters, 102 (18) p. 181910. ISSN 00036951
[Artikel], (2013)

Agoston, Peter :
Point defect and surface properties of In2O3 and SnO2: A comparative study by first-principles methods.
[Online-Edition: urn:nbn:de:tuda-tuprints-27811]
TU Darmstadt , Darmstadt
[Dissertation], (2011)

Agoston, Peter ; Albe, Karsten :
Thermodynamic stability, stoichiometry, and electronic structure of bcc-In2O3 surfaces.
[Online-Edition: http://prb.aps.org/abstract/PRB/v84/i4/e045311]
In: Phys. Rev. B, 84 (045311) pp. 1-20.
[Artikel], (2011)
Note:

SFB 595 C2

Agoston, Peter ; Albe, Karsten :
Disordered reconstructions of the reduced SnO2-(110) surface.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0039602811...]
In: Surf. Sci., 605 (7-8) pp. 714-722.
[Artikel], (2011)
Note:

SFB 595 C2

Agoston, Peter ; Koerber, Christoph ; Klein, Andreas ; Puska, Martti J. ; Nieminen, Risto M. ; Albe, Karsten :
Limits for n-type doping in In2O3 and SnO2: A theoretical approach by first-principles calculations using hybrid-functional methodology.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v108/i5/p053511_s1]
In: Journal of Applied Physics, 108 (5) 053511. ISSN 00218979
[Artikel], (2010)
Note:

SFB 595 Cooperation C2, D3

Agoston, Peter ; Albe, Karsten :
Ab initio modeling of diffusion in indium oxide.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.81.195205]
In: Physical Review B, 81 (19) pp. 195205-11. ISSN 1098-0121
[Artikel], (2010)
Note:

SFB 595 C2

Agoston, Peter ; Erhart, Paul ; Klein, Andreas ; Albe, Karsten :
Geometry, electronic structure and thermodynamic stability of intrinsic point defects in indium oxide.
[Online-Edition: http://iopscience.iop.org/0953-8984/21/45/455801/]
In: Journal of Physics: Condensed Matter, 21 (45) pp. 455801-1. ISSN 0953-8984
[Artikel], (2009)
Note:

SFB 595 Cooperation C2, D3

Agoston, Peter ; Albe, Karsten :
Formation entropies of intrinsic point defects in cubic In2O3 from first-principles density functional theory calculations.
[Online-Edition: http://pubs.rsc.org/en/Content/ArticleLanding/2009/CP/b90028...]
In: Phys. Chem. Chem. Phys., 11 (17) pp. 3226-3232.
[Artikel], (2009)
Note:

SFB 595 C2

Albe, Karsten ; Nord, J. ; Nordlund, K. :
Dynamic charge-transfer bond-order potential for gallium nitride.
[Online-Edition: http://www.tandfonline.com/doi/abs/10.1080/14786430903313708]
In: Philos. Mag., 89 (34-36) pp. 3477-3497.
[Artikel], (2009)

Albe, Karsten ; Müller, MIchael
Voigt, Axel (ed.) :

Cluster diffusion and island formation on fcc(111)metal surfaces.
In: Multiscale Modeling in Epitaxial Growth. Mini-Workshop at Mathematisches Forschungsinstitut Oberwolfach January 18–24, 2004, 149 (1). Birkhäuser Verlag, Basel , pp. 19-28. ISBN 978-3-7643-7208-8 ISSN 978-3-7643-7208-8
[Buchkapitel], (2005)

Albe, K ; Weirich, T E. :
Structure and stability of alpha- and beta-Ti2Se. Electron diffraction versus density-functional theory calculations.
[Online-Edition: http://scripts.iucr.org/cgi-bin/paper?S0108767302018275]
In: Acta Crystal. A, Foundations of Crystallography, 59 (Part 1) pp. 18-21.
[Artikel], (2003)

Albe, Karsten ; Klein, Andreas :
Density-functional-theory calculations of electronic band structure of single-crystal and single-layer {WS}2.
[Online-Edition: http://prb.aps.org/abstract/PRB/v66/i7/e073413]
In: Phys. Rev. B, 66 (7) 073413-1.
[Artikel], (2002)

Albe, K. ; Nordlund, K. ; Nord, J. ; Kuronen, A. :
Modeling of compound semiconductors: Analytical bond-order potential for Ga, As, and GaAs.
[Online-Edition: http://prb.aps.org/abstract/PRB/v66/i3/e035205]
In: Phys. Rev. B, 66 (3) 035205-1.
[Artikel], (2002)

Albe, K. ; Nordlund, K. ; Averback, R. S. :
Modeling the metal-semiconductor interaction: Analytical bond-order potential for platinum-carbon.
[Online-Edition: http://prb.aps.org/abstract/PRB/v65/i19/e195124]
In: Phys. Rev. B, 65 (19) pp. 195124-1.
[Artikel], (2002)

Ashkenazy, Y ; Averback, R S. ; Albe, K :
Nanocluster rotation on {P}t surfaces: twist boundaries.
[Online-Edition: http://prb.aps.org/abstract/PRB/v64/i20/e205409]
In: Phys. Rev. B, 64 (20) p. 205409.
[Artikel], (2001)

Albe, Karsten ; Benedek, R. ; Averback, R. S. ; Seidman, D. N. :
Classical interatomic potential for Nb-alumina interfaces.
[Online-Edition: http://dx.doi.org/10.1557/PROC-654-AA4.3.1]
In: 2000 MRS Fall Meeting. In: Materials Research Society: Fall Meeting 2000. - Warendale, PA: MRS, 2001.- (MRS proceedings ; 654).- S. AA4.3.2 , 654 . MRS , Warendale, PA
[Konferenz- oder Workshop-Beitrag], (2000)

Albe, K ; Moller, W :
Modelling of boron nitride: Atomic scale simulations on thin film growth.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0927025697...]
In: Comp. Mat. Sci., 10 (1-4) pp. 111-115.
[Artikel], (1998)

Albe, K :
Theoretical study of boron nitride modifications at hydrostatic pressures.
[Online-Edition: http://prb.aps.org/abstract/PRB/v55/i10/p6203_1]
In: Phys. Rev. B, 55 (10) pp. 6203-6210.
[Artikel], (1997)

Albe, K ; Möller, W ; Heinig, K.--H. :
Computer simulation and boron nitride.
In: Radiation effects and defects in solids, 141 (1-4) pp. 85-97.
[Artikel], (1997)

B

Bergmann, S. ; Albe, K. ; Flegel, E. ; Barragan-Yani, D. A. ; Wagner, B. :
Anisotropic solid–liquid interface kinetics in silicon: an atomistically informed phase-field model.
[Online-Edition: https://doi.org/10.1088/1361-651X/aa7862]
In: Modelling and Simulation in Materials Science and Engineering, 25 (6) 065015-(1. ISSN 0965-0393
[Artikel], (2017)

Barragan-Yani, Daniel ; Albe, Karsten :
Atomic and electronic structure of perfect dislocations in the solar absorber materials CuInSe_2 and CuGaSe_2 studied by first-principles calculations.
[Online-Edition: http://doi.org/10.1103/PhysRevB.95.115203]
In: Physical Review B, 95 (11) 115203(11). ISSN 2469-9950
[Artikel], (2017)

Brink, Tobias :
Heterogeneities in Metallic Glasses: Atomistic Computer Simulations on the Structure and Mechanical Properties of Copper–Zirconium Alloys and Composites.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/5858]
Technische Universität Darmstadt , Darmstadt
[Dissertation], (2016)

Brink, Tobias ; Koch, Leonie ; Albe, Karsten :
Structural origins of the boson peak in metals: From high-entropy alloys to metallic glasses.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.94.224203]
In: Physical Review B, 94 (22) 224203(1. ISSN 2469-9950
[Artikel], (2016)

Brink, Tobias ; Peterlechner, Martin ; Rösner, Harald ; Albe, Karsten ; Wilde, Gerhard :
Influence of Crystalline Nanoprecipitates on Shear-Band Propagation in Cu-Zr-Based Metallic Glasses.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevApplied.5.054005]
In: Physical Review Applied, 5 (5) 054005-(1. ISSN 2331-7019
[Artikel], (2016)

Bhat, Shrikant ; Wiehl, Leonore ; Molina-Luna, Leopoldo ; Mugnaioli, Enrico ; Lauterbach, Stefan ; Sicolo, Sabrina ; Kroll, Peter ; Duerrschnabel, Michael ; Nishiyama, Norimasa ; Kolb, Ute ; Albe, Karsten ; Kleebe, Hans-Joachim ; Riedel, Ralf :
High-Pressure Synthesis of Novel Boron Oxynitride B6N4O3with Sphalerite Type Structure.
[Online-Edition: http://dx.doi.org/10.1021/acs.chemmater.5b01706]
In: Chemistry of Materials, 27 (17) pp. 5907-5914. ISSN 0897-4756
[Artikel], (2015)

Brink, Tobias ; Şopu, Daniel ; Albe, Karsten :
Solid-state amorphization of Cu nanolayers embedded in aCu64Zr36glass.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.91.184103]
In: Physical Review B, 91 (18) 184103(1-10). ISSN 1098-0121
[Artikel], (2015)

Brickmann, Jürgen ; Borosch, Thorsten ; Albe, Karsten :
Wege zu neuen Einsichten.
In: GIT : Laborfachzeitschrift, 48 p. 474.
[Artikel], (2004)

Busse, C ; Polop, C ; Muller, M ; Albe, K ; Linke, U ; Michely, T :
Stacking-fault nucleation on {I}r(111).
[Online-Edition: http://prl.aps.org/abstract/PRL/v91/i5/e056103]
In: Phys. Rev. Lett., 91 (5) 56103-1-56103-4.
[Artikel], (2003)

C

Clemens, Oliver ; Rohrer, Jochen ; Nénert, Gwilherm :
Magnetic structures of the low temperature phase of Mn3(VO4)2– towards understanding magnetic ordering between adjacent Kagomé layers.
[Online-Edition: http://dx.doi.org/10.1039/C5DT03141A]
In: Dalton Trans., 45 (1) pp. 156-171. ISSN 1477-9226
[Artikel], (2016)

Clemens, Oliver ; Rohrer, Jochen ; Nénert, Gwilherm :
Magnetic structures of the low temperature phase of Mn3(VO4)2– towards understanding magnetic ordering between adjacent Kagomé layers.
[Online-Edition: http://doi.org/10.1039/c5dt03141a]
In: Dalton Trans., 45 (1) pp. 156-171. ISSN 1477-9226
[Artikel], (2016)

Clemens, Oliver ; Gröting, Melanie ; Witte, Ralf ; Perez-Mato, J. Manuel ; Loho, Christoph ; Berry, Frank J. ; Kruk, Robert ; Knight, Kevin S. ; Wright, Adrian J. ; Hahn, Horst ; Slater, Peter R. :
Crystallographic and Magnetic Structure of the Perovskite-Type Compound BaFeO2.5: Unrivaled Complexity in Oxygen Vacancy Ordering.
[Online-Edition: http://dx.doi.org/10.1021/ic402988y]
In: Inorganic Chemistry, 53 (12) pp. 5911-5921. ISSN 0020-1669
[Artikel], (2014)

D

Dietrich, Christian ; Sadowski, Marcel ; Sicolo, Sabrina ; Weber, Dominik A. ; Sedlmaier, Stefan J. ; Weldert, Kai S. ; Indris, Sylvio ; Albe, Karsten ; Janek, Jürgen ; Zeier, Wolfgang G. :
Local Structural Investigations, Defect Formation, and Ionic Conductivity of the Lithium Ionic Conductor Li_4P_2S_6.
[Online-Edition: http://doi.org/10.1021/acs.chemmater.6b04175]
In: Chemistry of Materials, 28 (23) pp. 8764-8773. ISSN 0897-4756
[Artikel], (2016)

Diehm, P. Manuel ; Ágoston, Péter ; Albe, Karsten :
Size-Dependent Lattice Expansion in Nanoparticles: Reality or Anomaly?
[Online-Edition: http://dx.doi.org/10.1002/cphc.201200257]
In: ChemPhysChem, 13 (10) pp. 2443-2454. ISSN 14394235
[Artikel], (2012)
Note:

SFB 595 C1

E

Erhart, Paul ; Albe, Karsten :
Dopants and dopant–vacancy complexes in tetragonal lead titanate: A systematic first principles study.
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2015.02.029]
In: Computational Materials Science, 103 pp. 224-230. ISSN 09270256
[Artikel], (2015)

Erhart, Paul ; Träskelin, Petra ; Albe, Karsten :
Formation and switching of defect dipoles in acceptor-doped lead titanate: A kinetic model based on first-principles calculations.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.88.024107]
In: Physical Review B, 88 (2) 024107(1-10). ISSN 1098-0121
[Artikel], (2013)
Note:

SFB 595 C1

Erhart, Paul ; Albe, Karsten :
Modeling the electrical conductivity in BaTiO3 on the basis of first-principles calculations.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v104/i4/p044315_s1]
In: J. Appl. Phys., 104 (4) 044315-044315-9.
[Artikel], (2008)

Eichel, Rüdiger-A. ; Erhart, Paul ; Träskelin, Petra ; Albe, Karsten ; Kungl, Hans ; Hoffmann, Michael J. :
Defect-Dipole Formation in Copper-Doped PbTiO3 Ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.100.095504]
In: Physical Review Letters, 100 (9) 095504-1. ISSN 0031-9007
[Artikel], (2008)
Note:

SFB 595 Cooperation A2, B1, C2

Erhart, Paul ; Eichel, Rüdiger-A. ; Träskelin, Petra ; Albe, Karsten :
Association of oxygen vacancies with impurity metal ions in lead titanate.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.76.174116]
In: Physical review / B, 76 (17) 174116-1-174116-12.
[Artikel], (2007)
Note:

SFB 595 Cooperation B1, C1, C2

Erhart, Paul ; Albe, Karsten :
Thermodynamics of mono- and di-vacancies in barium titanate.
[Online-Edition: http://dx.doi.org/10.1063/1.2801011]
In: Journal of Applied Physics, 102 (8) 084111-1. ISSN 00218979
[Artikel], (2007)
Note:

SFB 595 C1

Erhart, Paul ; Klein, Andreas ; Egdell, Russell ; Albe, Karsten :
Band structure of indium oxide: Indirect versus direct band gap.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.75.153205]
In: Physical Review B, 75 (15) pp. 153205-1. ISSN 1098-0121
[Artikel], (2007)
Note:

SFB 595 Cooperation C2, D3

Erhart, Paul :
Intrinsic Point Defects in Zinc Oxide: Modeling of Structural, Electronic, Thermodynamic and Kinetic Properties.
[Online-Edition: urn:nbn:de:tuda-tuprints-7266]
Technische Universität , Darmstadt
[Dissertation], (2006)

Erhart, Paul ; Juslin, Niklas ; Goy, Oliver ; Nordlund, Kai ; Müller, Ralf ; Albe, Karsten :
Analytic bond-order potential for atomistic simulations of zinc oxide.
[Online-Edition: http://dx.doi.org/10.1088/0953-8984/18/29/003]
In: Journal of Physics: Condensed Matter, 18 (29) pp. 6585-6605. ISSN 0953-8984
[Artikel], (2006)
Note:

SFB 595 Cooperation C2, C3

Erhart, Paul ; Albe, Karsten ; Klein, Andreas :
First-principles study of intrinsic point defects in ZnO: Role of band structure, volume relaxation, and finite-size effects.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.73.205203]
In: Physical Review B, 73 (20) pp. 205203-1. ISSN 1098-0121
[Artikel], (2006)
Note:

SFB 595 Cooperation C2, D3

Erhart, Paul ; Albe, Karsten :
First-principles study of migration mechanisms and diffusion of oxygen in zinc oxide.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.73.115207]
In: Physical Review B, 73 (11) pp. 115207-1. ISSN 1098-0121
[Artikel], (2006)
Note:

SFB 595 C2

Erhart, P ; Albe, K :
Molecular dynamics simulations of gas phase condensation of silicon carbide nanoparticles.
[Online-Edition: http://onlinelibrary.wiley.com/doi/10.1002/adem.200500119/ab...]
In: Adv. Eng. Mat., 7 (10) pp. 937-945.
[Artikel], (2005)

Erhart, Paul ; Klein, Andreas ; Albe, Karsten :
First-principles study of the structure and stability of oxygen defects in zinc oxide.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.72.085213]
In: Physical Review B, 72 (8) 085213-1-085213-7. ISSN 1098-0121
[Artikel], (2005)
Note:

SFB 595 Cooperation C2, D3

Erhart, P. ; Bringa, E. M. ; Kumar, M. ; Albe, K. :
Atomistic mechanism of shock-induced void collapse in nanoporous metals.
[Online-Edition: http://prb.aps.org/abstract/PRB/v72/i5/e052104]
In: Phys. Rev. B, 72 (5) 052104-1.
[Artikel], (2005)

Erhart, P ; Albe, K :
Analytical potential for atomistic simulations of silicon, carbon, and silicon carbide.
[Online-Edition: http://prb.aps.org/abstract/PRB/v71/i3/e035211]
In: Phys. Rev. B, 71 (3) 035211-1-035211-14.
[Artikel], (2005)

Erhart, P ; Albe, K :
The role of thermostats in modeling vapor phase condensation of silicon nanoparticles.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0169433203...]
In: Appl. Surf. Sci., 226 (1-3) pp. 12-18.
[Artikel], (2004)

F

Flegel, Elke :
Molecular Dynamics Simulations of Liquid Phase Crystallized Silicon.
TU Darmstadt
[Masterarbeit], (2014)

Fähler, Sebastian ; Rößler, Ulrich K. ; Kastner, Oliver ; Eckert, Jürgen ; Eggeler, Gunther ; Emmerich, Heike ; Entel, Peter ; Müller, Stefan ; Quandt, Eckhard ; Albe, Karsten :
Caloric Effects in Ferroic Materials: New Concepts for Cooling.
[Online-Edition: http://onlinelibrary.wiley.com/doi/10.1002/adem.201100178/ab...]
In: Advanced Engineering Materials, 14 (1-2) pp. 10-19.
[Artikel], (2012)

G

Groszewicz, Pedro B. ; Gröting, Melanie ; Breitzke, Hergen ; Jo, Wook ; Albe, Karsten ; Buntkowsky, Gerd ; Rödel, Jürgen :
Reconciling Local Structure Disorder and the Relaxor State in (Bi1/2Na1/2)TiO3-BaTiO3.
[Online-Edition: http://doi.org/10.1038/srep31739]
In: Scientific Reports, 6 31739 (1-11). ISSN 2045-2322
[Artikel], (2016)
Note:

SFB 595

Gassmann, Jürgen ; Yampolskii, Sergey V. ; Genenko, Yuri A. ; Reusch, Thilo C.G. ; Klein, Andreas :
Functional Interfaces for Transparent Organic Electronic Devices: Consistent Description of Charge Injection by Combining In Situ XPS and Current Voltage Measurements with Self-Consistent Modeling.
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcc.6b02567]
In: The Journal of Physical Chemistry C, 120 (19) pp. 10466-10475. ISSN 1932-7447
[Artikel], (2016)

Goel, Saurav ; Kovalchenko, Andrii ; Stukowski, Alexander ; Cross, Graham :
Influence of microstructure on the cutting behaviour of silicon.
[Online-Edition: http://dx.doi.org/10.1016/j.actamat.2015.11.046]
In: Acta Materialia, 105 Acta Materialia 105 (2016) (464-478). ISSN 13596454
[Artikel], (2016)

Genenko, Yuri A. ; Rauh, Hermann ; Kurdi, Samer :
Finite-element simulations of hysteretic alternating current losses in a magnetically coated superconducting tubular wire subject to an oscillating transverse magnetic field.
[Online-Edition: http://dx.doi.org/10.1063/1.4922982]
In: Journal of Applied Physics, 117 (24) 243909(1-6). ISSN 0021-8979
[Artikel], (2015)

Genenko, Yuri A. ; Glaum, Julia ; Hoffmann, Michael J. ; Albe, Karsten :
Mechanisms of aging and fatigue in ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1016/j.mseb.2014.10.003]
In: Materials Science and Engineering: B, 192 pp. 52-82. ISSN 09215107
[Artikel], (2015)
Note:

SFB 595 Cooperation C1, C5, D1, T2

Gassmann, Andrea ; Yampolskii, Sergey V. ; Klein, Andreas ; Albe, Karsten ; Vilbrandt, Nicole ; Pekkola, Oili ; Genenko, Yuri A. ; Rehahn, Matthias ; von Seggern, Heinz :
Study of electrical fatigue by defect engineering in organic light-emitting diodes.
[Online-Edition: http://dx.doi.org/10.1016/j.mseb.2014.10.014]
In: Materials Science and Engineering: B, 192 pp. 26-51. ISSN 09215107
[Artikel], (2015)
Note:

SFB 595 Cooperation A5, C2, C5, D3, D4

Gröting, Melanie ; Albe, Karsten :
Comparative study of A-site order in the lead-free bismuth titanates M1/2Bi1/2TiO3.
[Online-Edition: http://dx.doi.org/10.1016/j.jssc.2014.02.017]
In: Journal of Solid State Chemistry, 213 pp. 138-144. ISSN 00224596
[Artikel], (2014)
Note:

SFB 595 C1

Genenko, Yuri A. ; Hirsch, Ofer ; Erhart, Paul :
Surface potential at a ferroelectric grain due to asymmetric screening of depolarization fields.
[Online-Edition: http://dx.doi.org/10.1063/1.4867984]
In: Journal of Applied Physics, 115 (10) p. 104102. ISSN 0021-8979
[Artikel], (2014)
Note:

SFB 595 C5

Goel, Saurav ; Faisal, Nadimul Haque ; Ratia, Vilma ; Agrawal, Anupam ; Stukowski, Alexander :
Atomistic investigation on the structure–property relationship during thermal spray nanoparticle impact.
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2013.12.011]
In: Computational Materials Science, 84 pp. 163-174. ISSN 09270256
[Artikel], (2014)

Gröting, Melanie ; Albe, Karsten :
Theoretical prediction of morphotropic compositions in Na1/2Bi1/2TiO3-based solid solutions from transition pressures.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.89.054105]
In: Physical Review B, 89 (5) 054105(1-9). ISSN 1098-0121
[Artikel], (2014)
Note:

SFB 595 C1

Genenko, Yuri A. ; Wehner, Jens ; von Seggern, Heinz :
Self-consistent model of polarization switching kinetics in disordered ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1063/1.4818951]
In: Journal of Applied Physics, 114 (8) 084101(1-6). ISSN 00218979
[Artikel], (2013)
Note:

SFB 595 Cooperation B7,C5

Goel, Saurav ; Stukowski, Alexander ; Luo, Xichun ; Agrawal, Anupam ; Reuben, Robert L. :
Anisotropy of single-crystal 3C–SiC during nanometric cutting.
[Online-Edition: http://dx.doi.org/10.1088/0965-0393/21/6/065004]
In: Modelling and Simulation in Materials Science and Engineering, 21 (6) 065004. ISSN 0965-0393
[Artikel], (2013)

Gröting, Melanie :
Ab-initio Calculations of the Relaxor Ferroelectric Na1/2Bi1/2TiO3 and its Solid Solutions.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/3481]
TU Darmstadt
[Dissertation], (2013)

Gröting, Melanie ; Kornev, Igor ; Dkhil, Brahim ; Albe, Karsten :
Pressure-induced phase transitions and structure of chemically ordered nanoregions in the lead-free relaxor ferroelectric Na_{1/2}Bi_{1/2}TiO_{3}.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.86.134118]
In: Physical Review B, 86 (13) 134118(1-10). ISSN 1098-0121
[Artikel], (2012)
Note:

SFB 595 C1

Gröting, Melanie ; Hayn, Silke ; Albe, Karsten :
Chemical order and local structure of the lead-free relaxor ferroelectric (Na1/2Bi1/2)TiO3.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0022459611...]
In: Journal of Solid State Chemistry, 184 (8) pp. 2041-2046.
[Artikel], (2011)
Note:

SFB 595 C1

Gross, Dietmar ; Müller, Ralf ; Müller, Michael ; Xu, Bai-Xiang ; Albe, Karsten :
On the origin of inhomogeneous stress and strain distributions in single-crystalline metallic nanoparticles.
In: International Journal of Materials Research (formerly Zeitschrift fuer Metallkunde), 102 (6) pp. 743-747. ISSN 18625282
[Artikel], (2011)

Genenko, Yuri A. :
Macroscopic electromagnetic properties of superconductor/soft-magnet heteristructures.

[Habilitation], (2011)

Gan, Yanjie ; Kotakoski, J. ; Krasheninnikov, A. V. ; Nordlund, K. ; Banhart, F. :
The diffusion of carbon atoms inside carbon nanotubes.
[Online-Edition: http://iopscience.iop.org/1367-2630/10/2/023022/]
In: New J. Phys., 10 023022-1.
[Artikel], (2008)

H

Hang, Tian ; Glaum, Julia ; Genenko, Yuri A. ; Phung, Toan ; Hoffman, Mark :
Investigation of partial discharge in piezoelectric ceramics.
[Online-Edition: http://dx.doi.org/10.1016/j.actamat.2015.09.031]
In: Acta Materialia, 102 pp. 284-291. ISSN 13596454
[Artikel], (2016)

Hörmann, Nicolas G. ; Gross, Axel ; Rohrer, Jochen ; Kaghazchi, Payam :
Stabilization of the γ-Sn phase in tin nanoparticles and nanowires.
[Online-Edition: http://dx.doi.org/10.1063/1.4931353]
In: Applied Physics Letters, 107 (12) 123101107 , 123101(1. ISSN 0003-6951
[Artikel], (2015)

Hausbrand, René ; Cherkashinin, Gennady ; Ehrenberg, Helmut ; Gröting, Melanie ; Albe, Karsten ; Hess, Christian ; Jaegermann, Wolfram :
Fundamental degradation mechanisms of layered oxide Li-ion battery cathode materials: Methodology, insights and novel approaches.
[Online-Edition: http://dx.doi.org/10.1016/j.mseb.2014.11.014]
In: Materials Science and Engineering: B, 192 pp. 3-15. ISSN 09215107
[Artikel], (2015)
Note:

SFB 595 Cooperation A3, B4, B8, C1

Hayn, Silke :
First-principles calculations on the structural and thermodynamic stability of (Na1/2Bi1/2,Ba)TiO3 and Pb(Zr,Ti)O3.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/3634]
TU Darmstadt , Darmstadt
[Dissertation], (2013)

Hohmann, Mareike V. ; Ágoston, Péter ; Wachau, André ; Bayer, Thorsten J. M. ; Broetz, Joachim ; Albe, Karsten ; Klein, Andreas :
Orientation dependent ionization potential of In2O3: A natural source for inhomogeneous barrier formation at electrode interfaces in organic electronics.
[Online-Edition: http://dx.doi.org/10.1088/0953-8984/23/33/334203]
In: Journal of Physics: Condensed Matter, 23 (33) p. 334203. ISSN 0953-8984
[Artikel], (2011)
Note:

SFB 595 D3

Hu, X Y. ; Albe, K ; Averback, R S. :
Molecular-dynamics simulations of energetic {C}-60 impacts on (2x1)-(100) silicon.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v88/i1/p49_s1]
In: J. Appl. Phys., 88 (1) pp. 49-54.
[Artikel], (2000)

Hu, X. ; Albe, Karsten ; Averback, R. S. :
Molecular dynamics simulations of energetic C60 impacts on (2x1)-(100) silicon.
In: Journal of applied physics, 88 p. 49.
[Artikel], (2000)

J

Javaid, Farhan :
Indentation Size Effect: Analysis of Underlying Mechanisms in (001) oriented Strontium Titanate Single Crystal via Chemical Etching and EBSD.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/6762]
E-Publishing-Service der TU Darmstadt , Darmstadt
[Dissertation], (2017)

Javaid, Farhan ; Stukowski, Alexander ; Durst, Karsten :
3D Dislocation Structure Evolution in Strontium Titanate: Spherical Indentation Experiments and MD Simulations.
[Online-Edition: http://dx.doi.org/10.1111/jace.14626]
In: Journal of the American Ceramic Society pp. 1-9. ISSN 00027820
[Artikel], (2016)

Jonas, Bünz ; Tobias, Brink ; Koichi, Tsuchiya ; Fanqiang, Meng ; Gerhard, Wilde ; Karsten, Albe :
Low temperature heat capacity of a severely deformed metallic glass.
[Online-Edition: http://journals.aps.org/prl/abstract/10.1103/PhysRevLett.112...]
In: Physical Review Letters, 112 p. 135501.
[Artikel], (2014)

Jarvi, T. T. ; Kuronen, A. ; Nordlund, K. ; Albe, K. :
Damage production in nanoparticles under light ion irradiation.
[Online-Edition: http://prb.aps.org/abstract/PRB/v80/i13/e132101]
In: Phys. Rev. B, 80 (13) pp. 132101-1.
[Artikel], (2009)

Jarvi, T. T. ; Kuronen, A. ; Nordlund, K. ; Albe, K. :
Low energy cluster deposition of nanoalloys.
[Online-Edition: http://prb.aps.org/abstract/PRB/v75/i11/e115422]
In: J. Appl. Phys., 106 (6) 063516-2.
[Artikel], (2009)

Jaervi, T. T. ; Pohl, D. ; Albe, K. ; Rellinghaus, B. ; Schultz, L. ; Fassbender, J. ; Kuronen, A. ; Nordlund, K. :
From multiply twinned to fcc nanoparticles via irradiation-induced transient amorphization.
[Online-Edition: http://iopscience.iop.org/0295-5075/85/2/26001/]
In: Europhys. Lett., 85 (2) 26001-p1.
[Artikel], (2009)

Jin, Z -H. ; Gumbsch, P. ; Albe, K. ; Ma, E. ; Lu, K. ; Gleiter, H. ; Hahn, H. :
Interactions between non-screw lattice dislocations and coherent twin boundaries in face-centered cubic metals.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645407...]
In: Acta Mater., 56 (5) pp. 1126-1135.
[Artikel], (2008)

Jarvi, T. T. ; Kuronen, A. ; Nordlund, K. ; Albe, K. :
Structural modification of a multiply twinned nanoparticle by ion irradiation: A molecular dynamics study.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v102/i12/p124304_s1]
In: J. Applied Physics, 102 (12) pp. 124304-2. ISSN 0021-8979
[Artikel], (2007)

Jarvi, T. T. ; Kuronen, A. ; Meinander, K. ; Nordlund, K. ; Albe, K. :
Contact epitaxy by deposition of Cu, Ag, Au, Pt, and Ni nanoclusters on (100) surfaces: Size limits and mechanisms.
[Online-Edition: http://prb.aps.org/abstract/PRB/v75/i11/e115422]
In: Phys. Rev. B, 75 (11) pp. 115422-1.
[Artikel], (2007)

Jin, Z. H. ; Gumbsch, P. ; Ma, E. ; Albe, K. ; Lu, K. ; Hahn, H. ; Gleiter, H. :
The interaction mechanism of screw dislocations with coherent twin boundaries in different face-centred cubic metals.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359646205...]
In: Scripta Materialia, 54 (6) pp. 1163-1168.
[Artikel], (2006)

Juslin, N. ; Erhart, P. ; Traskelin, P. ; Nord, J. ; Henriksson, K. O. E. ; Nordlund, K. ; Salonen, E. ; Albe, K. :
Analytical interatomic potential for modeling nonequilibrium processes in the W-C-H system.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v98/i12/p123520_s1]
In: J. Appl. Phys., 98 (12) pp. 123520-1. ISSN 0021-8979
[Artikel], (2005)
Note:

SFB 595 C2

Jager, H U. ; Albe, K :
Molecular-dynamics simulations of steady-state growth of ion-deposited tetrahedral amorphous carbon films.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v88/i2/p1129_s1]
In: J. Appl. Phys., 88 (2) pp. 1129-1135. ISSN 0021-8979
[Artikel], (2000)

K

Koch, Leonie ; Granberg, Fredric ; Brink, Tobias ; Utt, Daniel ; Albe, Karsten ; Djurabekova, Flyura ; Nordlund, Kai :
Local segregation versus irradiation effects in high-entropy alloys: Steady-state conditions in a driven system.
[Online-Edition: https://doi.org/10.1063/1.4990950]
In: Journal of Applied Physics, 122 (10) p. 105106. ISSN 0021-8979
[Artikel], (2017)

Khachaturyan, Ruben ; Wehner, Jens ; Genenko, Yuri A. :
Correlated polarization-switching kinetics in bulk polycrystalline ferroelectrics: A self-consistent mesoscopic switching model.
[Online-Edition: https://doi.org/10.1103/PhysRevB.96.054113]
In: Physical Review B, 96 (5) 054113 (1--10). ISSN 2469-9950
[Artikel], (2017)

Kalcher, Constanze ; Adjaoud, Omar ; Rohrer, Jochen ; Stukowski, Alexander ; Albe, Karsten :
Reinforcement of nanoglasses by interface strengthening.
[Online-Edition: https://doi.org/10.1016/j.scriptamat.2017.08.004]
In: Scripta Materialia, 141 pp. 115-119. ISSN 13596462
[Artikel], (2017) (Eingereicht)

Khachaturyan, R. ; Zhukov, Sergey ; Schultheiß, Jan ; Galassi, C. ; Reimuth, C. ; Koruza, Jurij ; Seggern, Heinz von ; Genenko, Yuri A. :
Polarization-switching dynamics in bulk ferroelectrics with isometric and oriented anisometric pores.
In: Journal of Physics D: Applied Physics, 50 045303 (1--14). ISSN 0022-3727
[Artikel], (2017)

Koch, Leonie :
Computer simulations of ordering effects and dislocation structures in high entropy alloys.
TU Darmstadt , Darmstadt
[Masterarbeit], (2015)

Kalcher, Constanze :
Monte Carlo Simulations of the Electrocaloric Effect in Relaxor Ferroelectrics.
TU Darmstadt
[Masterarbeit], (2014)

Kobler, Aaron ; Lohmiller, Jochen ; Schäfer, Jonathan ; Kerber, Michael ; Castrup, Anna ; Kashiwar, Ankush ; Gruber, Patric A. ; Albe, Karsten ; Hahn, Horst ; Kübel, Christian :
Deformation-induced grain growth and twinning in nanocrystalline palladium thin films.
[Online-Edition: http://dx.doi.org/10.3762/bjnano.4.64]
In: Beilstein Journal of Nanotechnology, 4 pp. 554-566. ISSN 2190-4286
[Artikel], (2013)

Koch, Leonie :
Atomistic Simulation of Shear Localization in Metallic Glasses.
TU Darmstadt , Darmstadt
[Bachelorarbeit], (2013)

Koerber, Christoph ; Wachau, Andre ; Agoston, Peter ; Albe, Karsten ; Klein, Andreas :
Self-limited oxygen exchange kinetics at SnO2 surfaces.
[Online-Edition: http://pubs.rsc.org/en/Content/ArticleLanding/2011/CP/c0cp01...]
In: Phys. Chem. Chem. Phys., 13 (8) pp. 3223-3226.
[Artikel], (2011)
Note:

SFB 595 D3

Kling, Jens ; Hayn, Silke ; Schmitt, Ljubomira A. ; Gröting, Melanie ; Kleebe, Hans-Joachim ; Albe, Karsten :
A-site occupancy in the lead-free (Bi[sub 1/2]Na[sub 1/2]TiO[sub 3])[sub 0.94]–(BaTiO[sub 3])[sub 0.06] piezoceramic: Combining first-principles study and TEM.
[Online-Edition: http://dx.doi.org/10.1063/1.3437631]
In: Journal of Applied Physics, 107 (11) p. 114113. ISSN 0021-8979
[Artikel], (2010)
Note:

SFB 595 Cooperation B3, C1

Körber, Christoph ; Ágoston, Péter ; Klein, Andreas :
Surface and bulk properties of sputter deposited undoped and Sb-doped SnO2 thin films.
[Online-Edition: http://dx.doi.org/10.1016/j.snb.2009.03.067]
In: Sensors and Actuators B: Chemical, 139 (2) pp. 665-672. ISSN 09254005
[Artikel], (2009)
Note:

SFB 595 Cooperation C2, D3

Kotakoski, J. ; Albe, K. :
First-principles calculations on solid nitrogen: A comparative study of high-pressure phases.
[Online-Edition: http://prb.aps.org/abstract/PRB/v77/i14/e144109]
In: Phys. Rev. B, 77 (14) p. 144109.
[Artikel], (2008)

Krasnochtchekov, P ; Albe, K ; Ashkenazy, Y ; Averback, R S. :
Molecular-dynamics study of the density scaling of inert gas condensation.
[Online-Edition: http://jcp.aip.org/resource/1/jcpsa6/v123/i15/p154314_s1]
In: J. Chem. Phys., 123 (15) pp. 154314-1. ISSN 0021-9606
[Artikel], (2005)

Krasnochtchekov, P ; Albe, K ; Averback, R S. :
Simulations of the inert gas condensation processes.
In: Z. Metallkde., 94 (10) pp. 1098-1105. ISSN 0044-3093
[Artikel], (2003)

L

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten :
Cohesive strength of zirconia/molybdenum interfaces and grain boundaries in molybdenum: A comparative study.
[Online-Edition: http://doi.org/10.1016/j.actamat.2017.05.070]
In: Acta Materialia ISSN 13596454
[Artikel], (2017)

Li, Tao ; Sharma, Pankaj ; Lipatov, Alexey ; Lee, Hyungwoo ; Lee, Jung-Woo ; Zhuravlev, Mikhail Y. ; Paudel, Tula R. ; Genenko, Yuri A. ; Eom, Chang-Beom ; Tsymbal, Evgeny Y. ; Sinitskii, Alexander ; Gruverman, Alexei :
Polarization-Mediated Modulation of Electronic and Transport Properties of Hybrid MoS_2–BaTiO_3–SrRuO_3 Tunnel Junctions.
[Online-Edition: http://doi.org/10.1021/acs.nanolett.6b04247]
In: Nano Letters, 17 (2) pp. 922-927. ISSN 1530-6984
[Artikel], (2017)

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten :
Atomistic modelling of zirconium and silicon segregation at twist and tilt grain boundaries in molybdenum.
[Online-Edition: http://dx.doi.org/10.1007/s10853-015-9494-y]
In: Journal of Materials Science, 51 pp. 1873-1881. ISSN 0022-2461
[Artikel], (2015)

Lenchuk, Olena ; Rohrer, Jochen ; Albe, Karsten :
Solubility of zirconium and silicon in molybdenum studied by first-principles calculations.
[Online-Edition: http://dx.doi.org/10.1016/j.scriptamat.2014.10.007]
In: Scripta Materialia, 97 pp. 1-4. ISSN 13596462
[Artikel], (2015)

Li, Shunyi ; Morasch, Jan ; Klein, Andreas ; Chirila, Christina ; Pintilie, Lucian ; Jia, Lichao ; Ellmer, Klaus ; Naderer, Michael ; Reichmann, Klaus ; Gröting, Melanie ; Albe, Karsten :
Influence of orbital contributions to the valence band alignment of Bi2O3, Fe2O3, BiFeO3, and Bi0.5Na0.5TiO3.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.88.045428]
In: Physical Review B, 88 (4) 045428. ISSN 1098-0121
[Artikel], (2013)
Note:

SFB 595 Cooperation B7, C1

Li, W N. ; Duan, H L. ; Albe, K ; Weissmueller, J :
Line stress of step edges at crystal surfaces.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0039602811...]
In: Surface Science, 605 (9-10) pp. 947-957.
[Artikel], (2011)

Laubach, Sonja ; Laubach, Stefan ; Schmidt, Peter C. ; Gröting, Melanie ; Albe, Karsten ; Jaegermann, Wolfram ; Wolf, Walter :
Structure, Electronic Structure and Defect Formation Energies of LixCo1-yNiyO2 as a Function of x (0<x<1) and y (y = 0, 0.5, 1).
[Online-Edition: http://dx.doi.org/10.1524/zpch.2009.6082]
In: Zeitschrift für Physikalische Chemie, 223 (10-11) pp. 1327-1340. ISSN 0942-9352
[Artikel], (2009)
Note:

SFB 595 Cooperation A3, C1

M

Meyer, Kai-Christian ; Koch, Leonie ; Albe, Karsten :
Phase transformations in the relaxor Na_1/2 Bi_1/2 TiO_3 studied by means of density functional theory calculations.
[Online-Edition: https://doi.org/10.1111/jace.15207]
In: Journal of the American Ceramic Society ISSN 00027820
[Artikel], (2017) (Eingereicht)

Meyer, Kai-Christian ; Albe, Karsten :
Influence of phase transitions and defect associates on the oxygen migration in the ion conductor Na_1/2Bi_1/2TiO_3.
[Online-Edition: http://doi.org/10.1039/C6TA10566A]
In: J. Mater. Chem. A, 5 (9) pp. 4368-4375. ISSN 2050-7488
[Artikel], (2017)

Ma, Yang-Bin ; Molin, Christian ; Shvartsman, Vladimir V. ; Gebhardt, Sylvia ; Lupascu, Doru C. ; Albe, Karsten ; Xu, Bai-Xiang :
State transition and electrocaloric effect of BaZr_xTi_1-xO_3: Simulation and experiment.
In: J. Appl. Phys., 121 (2) 024103. ISSN 0021-8979
[Artikel], (2017)

Meyer, Kai-Christian :
Phase Transformation Kinetics and Oxygen Transport in the Relaxor Ferroelectric Na1/2Bi1/2TiO3 studied by First-Principles Calculations.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/6517]
Technische Universität , Darmstadt
[Dissertation], (2017)

Morozovska, Anna N. ; Eliseev, Eugene A. ; Genenko, Yuri A. ; Vorotiahin, Ivan S. ; Silibin, Maxim V. ; Cao, Ye ; Kim, Yunseok ; Glinchuk, Maya D. ; Kalinin, Sergei V. :
Flexocoupling impact on size effects of piezoresponse and conductance in mixed-type ferroelectric semiconductors under applied pressure.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.94.174101]
In: Physical Review B, 94 (17) 174101(1. ISSN 2469-9950
[Artikel], (2016)

Ma, Yang-Bin ; Grünebohm, Anna ; Meyer, Kai-Christian ; Albe, Karsten ; Xu, Bai-Xiang :
Positive and negative electrocaloric effect in BaTiO3 in the presence of defect dipoles.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.94.094113]
In: Physical Review B, 94 (9) 094113. ISSN 2469-9950
[Artikel], (2016)

Ma, Yang-Bin ; Novak, Nikola ; Koruza, Jurij ; Yang, Tongqing ; Albe, Karsten ; Xu, Bai-Xiang :
Enhanced electrocaloric cooling in ferroelectric single crystals by electric field reversal.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.94.100104]
In: Physical Review B, 94 (10) 100104 (1. ISSN 2469-9950
[Artikel], (2016)

Moradabadi, Ashkan ; Kaghazchi, Payam :
Thermodynamics and kinetics of defects in Li2S.
[Online-Edition: http://dx.doi.org/10.1063/1.4952434]
In: Applied Physics Letters, 108 (21) p. 213906. ISSN 0003-6951
[Artikel], (2016)

Mackenchery, Karoon ; Valisetty, Ramakrishna R. ; Namburu, Raju R. ; Stukowski, Alexander ; Rajendran, Arunachalam M. ; Dongare, Avinash M. :
Dislocation evolution and peak spall strengths in single crystal and nanocrystalline Cu.
[Online-Edition: http://dx.doi.org/10.1063/1.4939867]
In: Journal of Applied Physics, 119 (4) 044301-1. ISSN 0021-8979
[Artikel], (2016)

Ma, Yang-Bin ; Albe, Karsten ; Xu, Bai-Xiang :
Monte Carlo simulations of the electrocaloric effect in relaxor ferroelectrics.
IEEE Proceedings of the 2015 IEEE International Symposium on Application of Ferroelectrics (ISAF)
[Konferenz- oder Workshop-Beitrag], (2015)

Meyer, Kai-Christian ; Gröting, Melanie ; Albe, Karsten :
Octahedral tilt transitions in the relaxor ferroelectric Na1/2Bi1/2TiO3.
[Online-Edition: http://dx.doi.org/10.1016/j.jssc.2015.03.023]
In: Journal of Solid State Chemistry, 227 pp. 117-122. ISSN 00224596
[Artikel], (2015)

Ma, Yang-Bin ; Albe, Karsten ; Xu, Bai-Xiang :
Lattice-based Monte Carlo simulations of the electrocaloric effect in ferroelectrics and relaxor ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.91.184108]
In: Physical Review B, 91 (18) 184108(1-13).
[Artikel], (2015)

Mock, Markus :
Analytical Bond-Order Potential for α- and ß-Tin.
TU Darmstadt
[Masterarbeit], (2014)

Ma, G. T. ; Rauh, H. :
Thermo-electromagnetic properties of a magnetically shielded superconductor strip: theoretical foundations and numerical simulations.
[Online-Edition: http://dx.doi.org/10.1088/0953-2048/26/10/105001]
In: Superconductor Science and Technology, 26 (10) p. 105001. ISSN 0953-2048
[Artikel], (2013)

Ma, Yanming ; Oganov, Artem R. ; Li, Zhenwei ; Xie, Yu ; Kotakoski, Jani :
Novel High Pressure Structures of Polymeric Nitrogen.
[Online-Edition: http://prl.aps.org/abstract/PRL/v102/i6/e065501]
In: Phys. Rev. Lett., 102 (6) 065501-1.
[Artikel], (2009)

Mueller, Michael ; Albe, Karsten :
Structural stability of multiply twinned FePt nanoparticles.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645407...]
In: Acta Materialia, 55 (19) pp. 6617-6626.
[Artikel], (2007)

Mueller, Michael ; Erhart, Paul ; Albe, Karsten :
Thermodynamics of L1(0) ordering in FePt nanoparticles studied by Monte Carlo simulations based on an analytic bond-order potential.
[Online-Edition: http://prb.aps.org/abstract/PRB/v76/i15/e155412]
In: Phys. Rev. B, 76 (15)
[Artikel], (2007)

Mueller, Michael ; Erhart, Paul ; Albe, Karsten :
Analytic bond-order potential for bcc and fcc iron - comparison with established embedded-atom method potentials.
[Online-Edition: http://iopscience.iop.org/0953-8984/19/32/326220/]
In: J. Phys.: Condens. Mater., 19 (32) 326220-1-326220-23.
[Artikel], (2007)
Note:

SFB 595 C2

Mueller, Michael ; Albe, Karsten :
Concentration of thermal vacancies in metallic nanoparticles.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645407...]
In: Acta Materialia, 55 (9) pp. 3237-3244.
[Artikel], (2007)

Müller, MIchael :
Atomistic Computer Simulations of FePt Nanoparticles.
[Online-Edition: urn:nbn:de:tuda-tuprints-7848]
Technische Universität , Darmstadt
[Dissertation], (2007)

Müller, M ; Albe, K :
Lattice Monte Carlo simulations of FePt nanoparticles: Influence of size, composition, and surface segregation on order-disorder phenomena.
[Online-Edition: http://prb.aps.org/abstract/PRB/v72/i9/e094203]
In: Phys. Rev. B, 72 (9) 094203-1-094203-10.
[Artikel], (2005)

Muller, M. ; Albe, K. ; Busse, C. ; Thoma, A. ; Michely, T. :
Island shapes, island densities, and stacking-fault formation on Ir(III): Kinetic Monte Carlo simulations and experiments.
In: Phys. Rev. B, 71 (7) 075407-1. ISSN 1098-0121
[Artikel], (2005)

Müller, MIchael ; Albe, Karsten :
Monte Carlo Simulations of thermodynamic properties of FePt nanoparticles.
In: Materials Research Society Spring Meeting <San Francisco,2005> .
[Konferenz- oder Workshop-Beitrag], (2005)

Mayr, S G. ; Ashkenazy, Y ; Albe, K ; Averback, R S. :
Mechanisms of radiation-induced viscous flow: Role of point defects.
[Online-Edition: http://prl.aps.org/abstract/PRL/v90/i5/e055505]
In: Phys. Rev. Lett., 90 (5) 055505-1.
[Artikel], (2003)

N

Ngô, B.-N. D. ; Roschning, B. ; Albe, K. ; Weissmüller, J. ; Markmann, J. :
On the origin of the anomalous compliance of dealloying-derived nanoporous gold.
[Online-Edition: https://doi.org/10.1016/j.scriptamat.2016.11.006]
In: Scripta Materialia, 130 pp. 74-77. ISSN 13596462
[Artikel], (2017)

Nowroozi, Mohammad Ali ; Wissel, Kerstin ; Rohrer, Jochen ; Munnangi, Anji Reddy ; Clemens, Oliver :
LaSrMnO4: Reversible Electrochemical Intercalation of Fluoride Ions in the Context of Fluoride Ion Batteries.
[Online-Edition: http://doi.org/10.1021/acs.chemmater.6b05075]
In: Chemistry of Materials ISSN 0897-4756
[Artikel], (2017)

Ngô, Bao-Nam Dinh ; Stukowski, Alexander ; Mameka, Nadiia ; Markmann, Jürgen ; Albe, Karsten ; Weissmüller, Jörg :
Anomalous compliance and early yielding of nanoporous gold.
In: Acta Materialia, 93 pp. 144-155.
[Artikel], (2015)

Nikolaenko, Y. M. ; Kuzovlev, Y. E. ; Medvedev, Y. V. ; Mezin, N. I. ; Fasel, C. ; Gurlo, A. ; Schlicker, L. ; Bayer, T. J. M. ; Genenko, Y. A. :
Macro- and microscopic properties of strontium doped indium oxide.
[Online-Edition: http://dx.doi.org/10.1063/1.4891216]
In: Journal of Applied Physics, 116 (4) 043704. ISSN 0021-8979
[Artikel], (2014)
Note:

SFB 595 Cooperation A4, C5, D3

Neumann, Frederik ; Genenko, Yuri A. ; Schmechel, Roland ; Seggern, Heinz von :
The role of diffusion on SCLC transport in double injection devices.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0379677905...]
In: Synthetic metals, 150 (3) pp. 291-296.
[Artikel], (2005)
Note:

SFB 595 Cooperation C5, D4

Nordlund, K. ; Krasheninnikov, A. ; Juslin, N. ; Nord, J. ; Albe, K. :
Structure and stability of non-molecular nitrogen at ambient pressure.
[Online-Edition: http://iopscience.iop.org/0295-5075/65/3/400/]
In: Europhys. Lett., 65 (3) pp. 400-406.
[Artikel], (2004)

Nordlund, K. ; Nord, J. ; Krasheninnikov, A. V. ; Albe, Karsten :
Atomic-scale simulations of radiation effects in GaN and carbon nanotubes.
In: MRS proceedings, 792 R6.6.
[Artikel], (2004)

Nord, J. ; Albe, K. ; Erhart, P. ; Nordlund, K. :
Modelling of compound semiconductors: analytical bond-order potential for gallium, nitrogen and gallium nitride.
[Online-Edition: http://iopscience.iop.org/0953-8984/15/32/324/]
In: J. Phys.: Condens. Matter., 15 (32) pp. 5649-5662.
[Artikel], (2003)
Note:

SFB 595 C2

Nord, J. ; Nordlund, K. ; Keinonen, J. ; Albe, K. :
Molecular dynamics study of defect formation in GaN cascades.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0168583X02...]
In: Nucl. Instr. Meth. B, 202 pp. 93-99. ISSN 0168-583X
[Artikel], (2003)

P

Perera, Delwin :
Influence of hydrogen on the electronic structure of grain boundaries in graphene.
TU Darmstadt , Darmstadt
[Masterarbeit], (2017)

Peña-Roche, J. ; Genenko, Y. A. ; Badía-Majós, A. :
Magnetic invisibility of the magnetically coated type-II superconductor in partially penetrated state.
[Online-Edition: http://doi.org/10.1063/1.4961672]
In: Applied Physics Letters, 109 (9) 092601 (1. ISSN 0003-6951
[Artikel], (2016)

Perera, Delwin :
Density functional theory calculations on tilt grain boundaries in graphene.
TU Darmstadt , Darmstadt
[Bachelorarbeit], (2015)

Pohl, Johan ; Albe, Karsten :
Intrinsic point defects in CuInSe_{2} and CuGaSe_{2} as seen via screened-exchange hybrid density functional theory.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevB.87.245203]
In: Physical Review B, 87 (24) 245203-(16). ISSN 1098-0121
[Artikel], (2013)

Pohl, Johan :
Structure and properties of defects in photovoltaics absorber material: Atomic scale computer simulations of Si and Cu(In,Ga)Se2.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/3497]
TU Darmstadt , Darmstadt
[Dissertation], (2013)

Pohl, Johan ; Stahl, Christian ; Albe, Karsten :
Size-dependent phase diagrams of metallic alloys: A Monte Carlo simulation study on order-disorder transitions in Pt-Rh nanoparticles.
[Online-Edition: http://www.beilstein-journals.org/bjnano/single/articleFullT...]
In: Beilstein Journal of Nanotechnology, 3 pp. 1-11.
[Artikel], (2012)

Pohl, Johan ; Albe, Karsten :
ERRATUM: "Thermodynamics and kinetics of the copper vacancy in CuInSe, CuGaSe2, CuInS2, and CuGaS2 from screened-exchange hybrid density functional theory".
[Online-Edition: http://jap.aip.org/resource/1/japiau/v110/i10/p109905_s1]
In: J. Appl. Phys., 110 (10) 109905-1-109905-2.
[Artikel], (2011)

Pohl, Johan ; Klein, Andreas ; Albe, Karsten :
Role of copper interstitials in CuInSe2: First-principles calculations.
[Online-Edition: http://prb.aps.org/abstract/PRB/v84/i12/e121201]
In: Physical Review B, 84 (12) p. 121201. ISSN 1098-0121
[Artikel], (2011)

Pohl, Johan ; Albe, Karsten :
Void formation in melt-grown silicon studied by molecular dynamics simulations: From grown-in faulted dislocation loops to vacancy clusters.
[Online-Edition: http://apl.aip.org/resource/1/applab/v99/i8/p081910_s1]
In: App. Phys. Lett., 99 (8) 081910.
[Artikel], (2011)

Pohl, Johan ; Albe, Karsten :
Thermodynamics and kinetics of the copper vacancy in CuInSe2, CuGaSe2, CuInS2, and CuGaS2 from screened-exchange hybrid density functional theory.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v110/i10/p109905_s1]
In: J. Appl. Phys., 108 (2) pp. 109905-1. ISSN 0021-8979
[Artikel], (2010)

Pohl, Johan ; Mueller, Michael ; Seidl, Albrecht ; Albe, Karsten :
Formation of parallel (111) twin boundaries in silicon growth from the melt explained by molecular dynamics simulations.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0022024809...]
In: J. Cryst. Growth, 312 (8) pp. 1411-1415.
[Artikel], (2010)

Pohl, Johan ; Albe, Karsten :
Phase equilibria and ordering in solid Pt-Rh calculated by means of a refined bond-order simulation mixing model.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645409...]
In: Acta Materialia, 57 (14) pp. 4140-4147.
[Artikel], (2009)

R

Ranecky, S. T. ; Watanabe, H. ; Ogawa, J. ; Oka, T. ; Gölden, D. ; Alff, L. ; Genenko, Yuri A. :
Experimental and theoretical study of AC losses in variable asymmetrical magnetic environments.
[Online-Edition: https://doi.org/10.1088/1361-6668/aa73bc]
In: Superconductor Science and Technology, 30 (8) 085005-(6pp). ISSN 0953-2048
[Artikel], (2017)

Rohrer, Jochen ; Vrankovic, Dragolyub ; Cupid, Damian ; Riedel, Ralf ; Seifert, Hans J. ; Albe, Karsten ; Graczyk-Zajac, Magdalena :
Si- and Sn-containing SiOCN-based nanocomposites as anode materials for lithium ion batteries: synthesis, thermodynamic characterization and modeling.
[Online-Edition: https://doi.org/10.3139/146.111517]
In: International Journal of Materials Research ISSN 1862-5282
[Artikel], (2017)

Rohrer, Jochen ; Moradabadi, Ashkan ; Albe, Karsten ; Kaghazchi, Payam :
On the origin of anisotropic lithiation of silicon.
[Online-Edition: http://dx.doi.org/10.1016/j.jpowsour.2015.05.057]
In: Journal of Power Sources, 293 pp. 221-227. ISSN 03787753
[Artikel], (2015)

Ruestes, C. J. ; Stukowski, A. ; Tang, Y. ; Tramontina, D. R. ; Erhart, P. ; Remington, B. A. ; Urbassek, H. M. ; Meyers, M. A. ; Bringa, E. M. :
Atomistic simulation of tantalum nanoindentation: Effects of indenter diameter, penetration velocity, and interatomic potentials on defect mechanisms and evolution.
[Online-Edition: http://dx.doi.org/10.1016/j.msea.2014.07.001]
In: Materials Science and Engineering: A, 613 pp. 390-403. ISSN 09215093
[Artikel], (2014)

Ruestes, C. J. ; Bringa, E. M. ; Stukowski, A. ; Rodríguez Nieva, J. F. ; Tang, Y. ; Meyers, M. A. :
Plastic deformation of a porous bcc metal containing nanometer sized voids.
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2014.02.047]
In: Computational Materials Science, 88 pp. 92-102. ISSN 09270256
[Artikel], (2014)

Rohrer, Jochen ; Kaghazchi, Payam :
Structure Sensitivity in the Decomposition of Ethylene Carbonate on Si Anodes.
[Online-Edition: http://dx.doi.org/10.1002/cphc.201402456]
In: ChemPhysChem n/a-n/a. ISSN 14394235
[Artikel], (2014)

Rauh, H. ; Ma, G. T. :
Hysteretic ac loss of a superconductor strip subject to an oscillating transverse magnetic field: Geometrical and electromagnetic effects.
[Online-Edition: http://dx.doi.org/10.1063/1.4827176]
In: Journal of Applied Physics, 114 (19) p. 193902. ISSN 00218979
[Artikel], (2013)

Rohrer, Jochen ; Albe, Karsten :
Insights into Degradation of Si Anodes from First-Principle Calculations.
[Online-Edition: http://dx.doi.org/10.1021/jp401379d]
In: The Journal of Physical Chemistry C, 117 (37) pp. 18796-18803. ISSN 1932-7447
[Artikel], (2013)

Ruiz, H. S. ; Badia-Majos, A. ; Genenko, Yuri A. ; Yampolskii, Sergey V. :
Strong Localization of the Density of Power Losses in Type-II Superconducting Wires.
[Online-Edition: http://dx.doi.org/10.1109/TASC.2012.2232695]
In: IEEE Transactions on Applied Superconductivity, 23 (3) p. 8000404. ISSN 1051-8223
[Artikel], (2013)

Ritter, Yvonne ; Albe, Karsten :
Chemical and topological order in shear bands of Cu64Zr36 and Cu36Zr64 glasses.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v111/i10/p103527_s1]
In: J. Appl. Phys., 111 (10) p. 103527. ISSN 0021-8979
[Artikel], (2012)

Ruiz, H. S. ; Badía-Majós, A. ; Genenko, Yuri A. ; Rauh, Hermann ; Yampolskii, Sergey V. :
Superconducting wire subject to synchronous oscillating excitations: Power dissipation, magnetic response, and low-pass filtering.
[Online-Edition: http://dx.doi.org/10.1063/1.3693614]
In: Appl. Phys. Lett., 100 (11) pp. 112602-1.
[Artikel], (2012)

Ritter, Yvonne :
Molecular Dynamics Simulations of Structure-Property Relationships in Cu-Zr Metallic Glasses.
[Online-Edition: urn:nbn:de:tuda-tuprints-28685]
TU Darmstadt , Darmstadt
[Dissertation], (2011)

Ritter, Yvonne ; Albe, Karsten :
Thermal annealing of shear bands in deformed metallic glasses: Recovery mechanisms in Cu64/Zr36/studied by molecular dynamics simulations.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645411...]
In: Acta Materialia, 59 (18) pp. 7082-7094.
[Artikel], (2011)

Ritter, Yvonne ; Sopu, Daniel ; Gleiter, Herbert ; Albe, Karsten :
Structure, stability and mechanical properties of internal interfaces in Cu64Zr36 nanoglasses studied by MD simulations.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645411...]
In: Acta Materialia, 59 (17) pp. 6588-6593.
[Artikel], (2011)

S

Simsek Sanli, E. ; Barragan-Yani, D. ; Ramasse, Q. M. ; Albe, K. ; Mainz, R. ; Abou-Ras, D. ; Weber, A. ; Kleebe, H.-J. ; van Aken, P. A. :
Point defect segregation and its role in the detrimental nature of Frank partials in Cu(In,Ga)Se_2 thin-film absorbers.
[Online-Edition: http://doi.org/10.1103/PhysRevB.95.195209]
In: Physical Review B, 95 (19) 195209 (6). ISSN 2469-9950
[Artikel], (2017)

Stukowski, Alexander ; Fransson, Erik ; Mock, Markus ; Erhart, Paul :
Atomicrex—a general purpose tool for the construction of atomic interaction models.
[Online-Edition: http://doi.org/10.1088/1361-651X/aa6ecf]
In: Modelling and Simulation in Materials Science and Engineering, 25 (5) 055003 (1-9). ISSN 0965-0393
[Artikel], (2017)

Sicolo, Sabrina ; Fingerle, Mathias ; Hausbrand, René ; Albe, Karsten :
Interfacial instability of amorphous LiPON against lithium: A combined Density Functional Theory and spectroscopic study.
[Online-Edition: http://doi.org/10.1016/j.jpowsour.2017.04.005]
In: Journal of Power Sources, 354 pp. 124-133. ISSN 03787753
[Artikel], (2017)

Sicolo, Sabrina ; Albe, Karsten :
First-principles calculations on structure and properties of amorphous Li5P4O8N3 (LiPON).
[Online-Edition: http://dx.doi.org/10.1016/j.jpowsour.2016.09.059]
In: Journal of Power Sources, 331 pp. 382-390. ISSN 03787753
[Artikel], (2016) (Eingereicht)

Stukowski, Alexander :
Visualization and Analysis Strategies for Atomistic Simulations.
[Online-Edition: http://dx.doi.org/10.1007/978-3-319-33480-6_10]
In: Multiscale Materials Modeling for Nanomechanics. Springer International Publishing , pp. 317-336. ISBN 978-3-319-33478-3 ISSN 0933-033X
[Buchkapitel], (2016)

Stukowski, Alexander :
A triangulation-based method to identify dislocations in atomistic models.
[Online-Edition: http://dx.doi.org/10.1016/j.jmps.2014.06.009]
In: Journal of the Mechanics and Physics of Solids, 70 pp. 314-319. ISSN 00225096
[Artikel], (2014)

Stukowski, Alexander :
Computational Analysis Methods in Atomistic Modeling of Crystals.
[Online-Edition: http://dx.doi.org/10.1007/s11837-013-0827-5]
In: JOM, 66 (3) pp. 399-407. ISSN 1047-4838
[Artikel], (2014)

Schäfer, Jonathan ; Albe, Karsten :
Plasticity of nanocrystalline alloys with chemical order: on the strength and ductility of nanocrystalline Ni–Fe.
[Online-Edition: http://dx.doi.org/10.3762/bjnano.4.63]
In: Beilstein Journal of Nanotechnology, 4 pp. 542-553. ISSN 2190-4286
[Artikel], (2013)

Schäfer, Jonathan :
Atomistic simulations of plasticity in nanocrystalline alloys.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/3354]
TU Darmstadt , Darmstadt
[Dissertation], (2013)

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten :
On the hierarchy of deformation processes in nanocrystalline alloys: Grain boundary mediated plasticity vs. dislocation slip.
[Online-Edition: http://dx.doi.org/10.1063/1.4821763]
In: Journal of Applied Physics, 114 (14) p. 143501. ISSN 00218979
[Artikel], (2013)

Schäfer, Jonathan ; Albe, Karsten :
Competing deformation mechanisms in nanocrystalline metals and alloys: Coupled motion versus grain boundary sliding.
[Online-Edition: http://dx.doi.org/10.1016/j.actamat.2012.07.044]
In: Acta Materialia, 60 (17) pp. 6076-6085.
[Artikel], (2012)

Simon, Daniel :
Deformation mechanisms in nanocrystalline cooper: Molecular dynamics simulations on the influence of strain rate and temperature.
TU Darmstadt , Darmstadt
[Bachelorarbeit], (2012)

Schäfer, Jonathan ; Ashkenazy, Yinon ; Albe, Karsten ; Averback, Robert S. :
Effect of solute segregation on thermal creep in dilute nanocyrstalline Cu alloys.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0921509312...]
In: Materials Science and Engineering A, 546 (307) pp. 307-313.
[Artikel], (2012)

Schäfer, Jonathan ; Albe, Karsten :
Influence of solutes on the competition between mesoscopic grain boundary sliding and coupled grain boundary motion.
[Online-Edition: http://dx.doi.org/10.1016/j.scriptamat.2011.11.031]
In: Scripta Materialia, 66 (5) pp. 315-317.
[Artikel], (2012)

Sopu, Daniel :
Molecular Dynamics Simulations of Metallic Nanoglasses.
[Online-Edition: urn:nbn:de:tuda-tuprints-28453]
TU Darmstadt
[Dissertation], (2011)

Sopu, Daniel ; Kotakoski, Jani ; Albe, Karsten :
Finite-size effects in the phonon density of states of nanostructured germanium: A comparative study of nanoparticles, nanocrystals, nanoglasses, and bulk phases.
[Online-Edition: http://prb.aps.org/abstract/PRB/v83/i24/e245416]
In: Physical Review B, 83 (24) p. 245416.
[Artikel], (2011)

Schäfer, Jonathan ; Stukowski, Alexander ; Albe, Karsten :
Plastic deformation of nanocrystalline Pd-Au alloys: On the interplay of grain boundary solute segregation, fault energies and grain size.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645411...]
In: Acta Mater., 59 (8) pp. 2957-2968.
[Artikel], (2011)

Sopu, D ; Ritter, Y ; Gleiter, H ; Albe, K :
Deformation behavior of bulk and nanostructured metallic glasses studied via molecular dynamics simulations.
[Online-Edition: http://prb.aps.org/abstract/PRB/v83/i10/e100202]
In: Phys. Rev. B, 83 (10) pp. 100202-4.
[Artikel], (2011)

Stukowski, A ; Albe, K ; Farkas, D :
Nanotwinned fcc metals: Strengthening versus softening mechanisms.
[Online-Edition: http://prb.aps.org/abstract/PRB/v82/i22/e224103]
In: Phys. Rev. B, 82 (22) p. 224103.
[Artikel], (2010)

Stukowski, Alexander ; Albe, Karsten :
Extracting dislocations and non-dislocation crystal defects from atomistic simulation data.
[Online-Edition: http://iopscience.iop.org/0965-0393/18/8/085001/]
In: Mod. Sim. Mat. Sci. Eng., 18 (8) 085001-13.
[Artikel], (2010)

Suffner, Jens ; Agoston, Peter ; Kling, Jens ; Hahn, Horst :
Chemical vapor synthesis of fluorine-doped SnO2 (FTO) nanoparticles.
[Online-Edition: http://www.springerlink.com/content/n33036978k770mm8/]
In: J. Nanoparticle Res., 12 (7) pp. 2579-2588. ISSN 1388-0764
[Artikel], (2010)

Stukowski, Alexander :
Atomic-scale modeling of nanostructured metals and alloys.
[Online-Edition: urn:nbn:de:tuda-tuprints-22391]
Institut für Materialwissenschaft, TU Darmstadt
[Dissertation], (1010)

Stukowski, Alexander ; Albe, Karsten :
Dislocation detection algorithm for atomistic simulations.
[Online-Edition: http://iopscience.iop.org/0965-0393/18/2/025016/]
In: Mod. Sim. Mat. Sci. Eng., 18 (2) 025016-15.
[Artikel], (2010)

Sopu, D ; Albe, K ; Ritter, Y ; Gleiter, H :
From nanoglasses to bulk massive glasses.
[Online-Edition: http://apl.aip.org/resource/1/applab/v94/i19/p191911_s1]
In: Appl. Phys. Lett., 94 (19) pp. 191911-2. ISSN 0003-6951
[Artikel], (2009)

Stukowski, A ; Markmann, J ; Weissmueller, J ; Albe, K :
Atomistic origin of microstrain broadening in diffraction data of nanocrystalline solids.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359645408...]
In: Acta Materialia, 57 (5) pp. 1648-1654.
[Artikel], (2009)

T

Trushin, O ; Maras, E ; Stukowski, A ; Granato, E ; Ying, S C ; Jónsson, H ; Ala-Nissila, T :
Minimum energy path for the nucleation of misfit dislocations in Ge/Si(0 0 1) heteroepitaxy.
[Online-Edition: http://dx.doi.org/10.1088/0965-0393/24/3/035007]
In: Modelling and Simulation in Materials Science and Engineering, 24 (3) 035007. ISSN 0965-0393
[Artikel], (2016)

Tramontina, Diego ; Erhart, Paul ; Germann, Timothy ; Hawreliak, James ; Higginbotham, Andrew ; Park, Nigel ; Ravelo, Ramón ; Stukowski, Alexander ; Suggit, Mathew ; Tang, Yizhe ; Wark, Justin ; Bringa, Eduardo :
Molecular dynamics simulations of shock-induced plasticity in tantalum.
[Online-Edition: http://dx.doi.org/10.1016/j.hedp.2013.10.007]
In: High Energy Density Physics, 10 pp. 9-15. ISSN 15741818
[Artikel], (2014)

Tolvanen, Antti ; Albe, Karsten :
Plasticity of Cu nanoparticles: Dislocation-dendrite-induced strain hardening and a limit for displacive plasticity.
[Online-Edition: http://dx.doi.org/10.3762/bjnano.4.17]
In: Beilstein Journal of Nanotechnology, 4 pp. 173-179. ISSN 2190-4286
[Artikel], (2013)

Tolvanen, A. ; Kotakoski, J. ; Krasheninnikov, A. V. ; Nordlund, K. :
Relative abundance of single and double vacancies in irradiated single-walled carbon nanotubes.
[Online-Edition: http://apps.webofknowledge.com/full_record.do?product=UA&sea...]
In: Appl. Phys. Lett., 91 (17) p. 173109. ISSN 0003-6951
[Artikel], (2007)

V

Vorotiahin, Ivan S. ; Eliseev, Eugene A. ; Li, Qian ; Kalinin, Sergei V. ; Genenko, Yuri A. ; Morozovska, Anna N. :
Tuning the polar states of ferroelectric films via surface charges and flexoelectricity.
[Online-Edition: https://doi.org/10.1016/j.actamat.2017.07.033]
In: Acta Materialia, 137 pp. 85-92. ISSN 13596454
[Artikel], (2017)

Vorotiahin, Ivan S. ; Morozovska, Anna N. ; Eliseev, Eugene A. ; Genenko, Yuri A. :
Flexocoupling impact on the kinetics of polarization reversal.
[Online-Edition: http://doi.org/10.1103/PhysRevB.95.014104]
In: Physical Review B, 95 (1) 014104 (1. ISSN 2469-9950
[Artikel], (2017)

Vo, N. Q. ; Schäfer, J. ; Averback, R. S. ; Albe, K. ; Askenazy, Y. ; Bellon, P. :
Reaching theoretical strengths in nanocrystalline Cu by grain boundary doping.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359646211...]
In: Scripta Materialia, 65 (8) pp. 660-663.
[Artikel], (2011)

Voegeli, W ; Albe, K ; Hahn, H :
Simulation of grain growth in nanocrystalline nickel induced by ion irradiation.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S0168583X02...]
In: Nucl. Instr. Meth. B, 202 pp. 230-235.
[Artikel], (2003)

W

Wagner, Johannes ; Adjaoud, Omar ; Marquardt, Katharina ; Jahn, Sandro :
Anisotropy of self-diffusion in forsterite grain boundaries derived from molecular dynamics simulations.
[Online-Edition: http://dx.doi.org/10.1007/s00410-016-1308-y]
In: Contributions to Mineralogy and Petrology, 171 (12) pp. 1-9. ISSN 0010-7999
[Artikel], (2016)

Witte, Wolfram ; Abou-Ras, Daniel ; Albe, Karsten ; Bauer, Gottfried H. ; Bertram, Frank ; Boit, Christian ; Brüggemann, Rudolf ; Christen, Jürgen ; Dietrich, Jens ; Eicke, Axel ; Hariskos, Dimitrios ; Maiberg, Matthias ; Mainz, Roland ; Meessen, Max ; Müller, Mathias ; Neumann, Oliver ; Orgis, Thomas ; Paetel, Stefan ; Pohl, Johan ; Rodriguez-Alvarez, Humberto ; Scheer, Roland ; Schock, Hans-Werner ; Unold, Thomas ; Weber, Alfons ; Powalla, Michael :
Gallium gradients in Cu(In,Ga)Se2 thin-film solar cells.
[Online-Edition: http://dx.doi.org/10.1002/pip.2485]
In: Progress in Photovoltaics: Research and Applications, 23 pp. 717-733. ISSN 10627995
[Artikel], (2015)

Witte, W. ; Powalla, M. ; Hariskos, D. ; Eicke, A. ; Botros, M. ; Schock, H.-W. ; Abou-Ras, D. ; Mainz, R. ; Rodríguez-Alvarez, H. ; Unold, T. ; Bauer, G.H. ; Brüggemann, R. ; Heise, S. J. ; Neumann, O. ; Meessen, M. ; Christen, J. ; Bertram, F. ; Klein, Andreas ; Adler, T. ; Albe, K. ; Pohl, J. ; Martin, M. ; De Souza, R.A. ; Nagarajan, L. ; Beckers, T. ; Boit, C. ; Dietrich, J. ; Hetterich, M. ; Zhang, Z. ; Scheer, R. ; Kempa, H. ; Orgis, T. :
Chemical Gradients in Cu(In,Ga)(S,Se)2 Thin-Film Solar Cells: Results of the GRACIS Project.
[Online-Edition: http://www.eupvsec-proceedings.com/proceedings?paper=16560]
In: pp. 2166-2173.
[Artikel], (2013)

Y

Yampolskii, Sergey V. ; Genenko, Yuri A. :
Magnetic cloaking by a paramagnet/superconductor cylindrical tube in the critical state.
[Online-Edition: http://dx.doi.org/10.1063/1.4870841]
In: Applied Physics Letters, 104 (14) p. 143504. ISSN 0003-6951
[Artikel], (2014)

Yampolskii, Sergey V. ; Genenko, Yuri A. :
Magnetic detectability of a finite size paramagnet/superconductor cylindrical cloak.
[Online-Edition: http://dx.doi.org/10.1063/1.4862265]
In: Applied Physics Letters, 104 (3) 033501. ISSN 0003-6951
[Artikel], (2014)

Z

Zhang, Shan-Ting :
Study of fluorine-doped tin oxide (FTO) thin films for photovoltaics applications.
[Online-Edition: http://tuprints.ulb.tu-darmstadt.de/6126]
Technische Universität , Darmstadt
[Dissertation], (2017)

Zhukov, S. ; Glaum, J. ; Kungl, H. ; Sapper, E. ; Dittmer, R. ; Genenko, Y. A. ; von Seggern, H. :
Fatigue effect on polarization switching dynamics in polycrystalline bulk ferroelectrics.
[Online-Edition: http://doi.org/10.1063/1.4960691]
In: Journal of Applied Physics, 120 (6) 064103 (1. ISSN 0021-8979
[Artikel], (2016)

Zhang, R.F. ; Beyerlein, I.J. ; Zheng, S.J. ; Zhang, S.H. ; Stukowski, A. ; Germann, T.C. :
Manipulating dislocation nucleation and shear resistance of bimetal interfaces by atomic steps.
[Online-Edition: http://dx.doi.org/10.1016/j.actamat.2016.05.015]
In: Acta Materialia, 113 pp. 194-205. ISSN 13596454
[Artikel], (2016) (Eingereicht)

Zhang, Zhibo ; Stukowski, Alexander ; Urbassek, Herbert M. :
Interplay of dislocation-based plasticity and phase transformation during Si nanoindentation.
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2016.03.039]
In: Computational Materials Science, 119 pp. 82-89. ISSN 09270256
[Artikel], (2016)

Zhukov, Sergey ; Genenko, Yuri A. ; Koruza, Jurij ; Schultheiß, Jan ; von Seggern, Heinz ; Sakamoto, Wataru ; Ichikawa, Hiroki ; Murata, Tatsuro ; Hayashi, Koichiro ; Yogo, Toshinobu :
Effect of texturing on polarization switching dynamics in ferroelectric ceramics.
[Online-Edition: http://dx.doi.org/10.1063/1.4939684]
In: Applied Physics Letters, 108 (1) 012907. ISSN 0003-6951
[Artikel], (2016)

Zhukov, Sergey ; Acosta, Matias ; Genenko, Yuri A. ; von Seggern, Heinz :
Polarization dynamics variation across the temperature- and composition-driven phase transitions in the lead-free Ba(Zr0.2Ti0.8)O3−x(Ba0.7Ca0.3)TiO3 ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1063/1.4932641]
In: Journal of Applied Physics, 118 (13) 134104(1. ISSN 0021-8979
[Artikel], (2015)

Zuo, Yinan ; Genenko, Yuri A. ; Xu, Bai-Xiang :
Charge compensation of head-to-head and tail-to-tail domain walls in barium titanate and its influence on conductivity.
[Online-Edition: http://dx.doi.org/10.1063/1.4891259]
In: Journal of Applied Physics, 116 (4) 044109(1-6). ISSN 0021-8979
[Artikel], (2014)
Note:

SFB 595 Cooperation C5, C6

Zuo, Yinan ; Genenko, Yuri A. ; Klein, Andreas ; Stein, Peter ; Xu, Bai-Xiang :
Domain wall stability in ferroelectrics with space charges.
[Online-Edition: http://dx.doi.org/10.1063/1.4866359]
In: Journal of Applied Physics, 115 (8) 084110. ISSN 0021-8979
[Artikel], (2014)
Note:

SFB 595 Cooperation B7, C5, C6

Zhukov, Sergey ; Kungl, Hans ; Genenko, Yuri A. ; von Seggern, Heinz :
Statistical electric field and switching time distributions in PZT 1Nb2Sr ceramics: Crystal- and microstructure effects.
[Online-Edition: http://dx.doi.org/10.1063/1.4860335]
In: Journal of Applied Physics, 115 (1) 014103(1-13). ISSN 00218979
[Artikel], (2014)
Note:

SFB 595 Cooperation B7, C5, T2

Zhukov, Sergey ; Genenko, Yuri A. ; Acosta, Matias ; Humburg, Heide ; Jo, Wook ; Rödel, Jürgen ; von Seggern, Heinz :
Polarization dynamics across the morphotropic phase boundary in Ba(Zr0.2Ti0.8)O3-x(Ba0.7Ca0.3)TiO3 ferroelectrics.
[Online-Edition: http://dx.doi.org/10.1063/1.4824730]
In: Applied Physics Letters, 103 (15) 152904(1-5). ISSN 00036951
[Artikel], (2013)
Note:

SFB 595 Cooperation A1, B7, C5

Zhao, Shi-Jin ; Albe, Karsten ; Hahn, Horst :
Grain size dependence of the bulk modulus of nanocrystalline nickel.
[Online-Edition: http://www.sciencedirect.com/science/article/pii/S1359646206...]
In: Scripta Materialia, 55 (5) pp. 473-476.
[Artikel], (2006)

Zhong, Y. ; Ashkenazy, Y. ; Albe, K. ; Averback, R. S. :
Ion beam smoothening of metal surfaces.
[Online-Edition: http://jap.aip.org/resource/1/japiau/v94/i7/p4432_s1]
In: J. Appl. Phys., 94 (7) pp. 4432-4439.
[Artikel], (2003)

Á

Ágoston, Péter ; Albe, Karsten ; Nieminen, Risto M. ; Puska, Martti J. :
Ágoston et al. Reply: Comment on "Intrinsic n-type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In2O3, SnO2 and ZnO”.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.106.069602]
In: Physical Review Letters, 106 (6) 069602(1-1). ISSN 0031-9007
[Artikel], (2011)
Note:

SFB 595 C2

Ágoston, Péter ; Albe, Karsten ; Niemann, Risto M. ; Puska, Martti J. :
Intrinsic n-Type Behavior in Transparent Conducting Oxides: A Comparative Hybrid-Functional Study of In_{2}O_{3}, SnO_{2}, and ZnO.
[Online-Edition: http://dx.doi.org/10.1103/PhysRevLett.103.245501]
In: Physical Review Letters, 103 (24) 245501(1-4). ISSN 0031-9007
[Artikel], (2009)
Note:

SFB 595 C2

Ş

Şopu, Daniel ; Albe, Karsten :
Influence of grain size and composition, topology and excess free volume on the deformation behavior of Cu–Zr nanoglasses.
[Online-Edition: http://dx.doi.org/10.3762/bjnano.6.56]
In: Beilstein Journal of Nanotechnology, 6 pp. 537-545. ISSN 2190-4286
[Artikel], (2015)

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