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Number of items: 33.

Liu, Shengyuan and Pfaller, Sebastian and Rahimi, Mohammad and Possart, Gunnar and Steinmann, Paul and Boehm, Michael C. and Mueller-Plathe, Florian (2017):
Uniaxial deformation of polystyrene-silica nanocomposites studied by hybrid molecular dynamics-finite element simulations.
In: Computational Materials Science, pp. 1-12, 129, ISSN 0927-0256,
[Online-Edition: http://dx.doi.org/10.1016/j.commatsci.2016.11.031],
[Article]

Yang, Yong-Biao and Rahimi, Mahshid and Singh, Jayant K. and Boehm, Michael C. and Mueller-Plathe, Florian (2016):
Adsorption and Condensation of SO2 in Double-Walled Carbon Nanotube Arrays Studied by Monte Carlo Simulations and Simple Analytical Models.
In: Journal of Physical Chemistry C, pp. 7510-7521, 120, (14), ISSN 1932-7447,
[Online-Edition: http://dx.doi.org/10.1021/acs.jpcc.5b08910],
[Article]

Voyiatzis, Evangelos and Mueller-Plathe, Florian and Boehm, Michael C. (2016):
Influence of nanoparticle inclusion on the cavity size distribution and accessible volume in polystyrene - Silica nanocomposites.
In: Polymer, pp. 107-118, 101, ISSN 0032-3861,
[Online-Edition: http://dx.doi.org/10.1016/j.polymer.2016.08.042],
[Article]

Pfaller, Sebastian and Possart, Gunnar and Steinmann, Paul and Rahimi, Mohammad and Mueller-Plathe, Florian and Boehm, Michael C. (2016):
Investigation of interphase effects in silica-polystyrene nanocomposites based on a hybrid molecular-dynamics-finite-element simulation framework.
In: Physical Review E, 93, (5), ISSN 2470-0045,
[Online-Edition: http://dx.doi.org/10.1103/PhysRevE.93.052505],
[Article]

Masubuchi, Yuichi and Langeloth, Michael and Boehm, Michael C. and Inoue, Tadashi and Mueller-Plathe, Florian (2016):
A Multichain Slip-Spring Dissipative Particle Dynamics Simulation Method for Entangled Polymer Solutions.
In: Macromolecules, pp. 9186-9191, 49, (23), ISSN 0024-9297,
[Online-Edition: http://dx.doi.org/10.1021/acs.macromol.6b01971],
[Article]

Liu, Shengyuan and Gerisch, Alf and Rahimi, Mohammad and Lang, Jens and Boehm, Michael C. and Mueller-Plathe, Florian (2015):
Robustness of a new molecular dynamics-finite element coupling approach for soft matter systems analyzed by uncertainty quantification.
In: Journal of Chemical Physics, 142, (10), ISSN 0021-9606,
[Article]

Voyiatzis, Evangelos and Boehm, Michael C. and Mueller-Plathe, Florian (2015):
A geometric approach to identify cavities in particle systems.
In: Computer Physics Communications, pp. 247-254, 196, ISSN 0010-4655,
[Online-Edition: http://dx.doi.org/10.1016/j.cpc.2015.06.011],
[Article]

Riccardi, Enrico and Boehm, Michael C. and Mueller-Plathe, Florian (2014):
Molecular dynamics approach to locally resolve elastic constants in nanocomposites and thin films: Mechanical description of solid-soft matter interphases via Young's modulus, Poisson's ratio and shear modulus.
In: European Physical Journal E, 37, [Article]

Voyiatzis, Evangelos and Mueller-Plathe, Florian and Boehm, Michael C. (2014):
Excess entropy scaling for the segmental and global dynamics of polyethylene melts.
In: Physical Chemistry Chemical Physics, pp. 24301-24311, 16, [Article]

Langeloth, Michael and Sugii, Taisuke and Boehm, Michael C. and Mueller-Plathe, Florian (2014):
Formation of the Interphase of a Cured Epoxy Resin Near a Metal Surface: Reactive Coarse-Grained Molecular Dynamics Simulations.
In: Soft Materials, pp. S71-S79, 12, ISSN 1539-445X,
[Article]

Voyiatzis, Evangelos and Rahimi, Mohammad and Mueller-Plathe, Florian and Boehm, Michael C. (2014):
How Thick Is the Polymer Interphase in Nanocomposites? Probing It by Local Stress Anisotropy and Gas Solubility.
In: Macromolecules, pp. 7878-7889, 47, (22), ISSN 0024-9297,
[Article]

Ramirez, Rafael and Singh, Jayant K. and Mueller-Plathe, Florian and Boehm, Michael C. (2014):
Ice and water droplets on graphite: A comparison of quantum and classical simulations.
In: Journal of Chemical Physics, 141, (20), ISSN 0021-9606,
[Article]

Langeloth, Michael and Masubuchi, Yuichi and Boehm, Michael C. and Mueller-Plathe, Florian (2014):
Reptation and constraint release dynamics in bidisperse polymer melts.
In: Journal of Chemical Physics, 141, (19), ISSN 0021-9606,
[Article]

Davydov, Denis and Voyiatzis, Evangelos and Chatzigeorgiou, George and Liu, Shengyuan and Steinmann, Paul and Boehm, Michael C. and Mueller-Plathe, Florian (2014):
Size Effects in a Silica-Polystyrene Nanocomposite: Molecular Dynamics and Surface-enhanced Continuum Approaches.
In: Soft Materials, pp. S142-S151, 12, ISSN 1539-445X,
[Article]

Zhang, Zidan and Wang, Long and Wang, Zilu and He, Xuehao and Chen, Yu and Mueller-Plathe, Florian and Boehm, Michael C. (2014):
A coarse-grained molecular dynamics - reactive Monte Carlo approach to simulate hyperbranched polycondensation.
In: Rsc Advances, pp. 56625-56636, 4, [Article]

Voyiatzis, Evangelos and Mueller-Plathe, Florian and Boehm, Michael C. (2013):
Do Transport Properties of Entangled Linear Polymers Scale with Excess Entropy?
In: Macromolecules, pp. 8710-8723, 46, [Article]

Langeloth, Michael and Masubuchi, Yuichi and Boehm, Michael C. and Mueller-Plathe, Florian (2013):
Recovering the reptation dynamics of polymer melts in dissipative particle dynamics simulations via slip-springs.
In: Journal of Chemical Physics, 138, [Article]

Balasubramanian, Ganesh and Schulte, Joachim and Mueller-Plathe, Florian and Boehm, Michael C. (2012):
Structural and thermochemical properties of a photoresponsive spiropyran and merocyanine pair: Basis set and solvent dependence in density functional predictions.
In: Chemical Physics Letters, pp. 60-66, 554, [Article]

Riccardi, Enrico and Boehm, Michael C. and Mueller-Plathe, Florian (2012):
Molecular dynamics method to locally resolve Poisson's ratio: Mechanical description of the solid-soft-matter interphase.
In: Physical Review E, 86, [Article]

Rahimi, Mohammad and Iriarte-Carretero, Irene and Ghanbari, Azadeh and Boehm, Michael C. and Mueller-Plathe, Florian (2012):
Mechanical behavior and interphase structure in a silica-polystyrene nanocomposite under uniaxial deformation.
In: Nanotechnology, 23, [Article]

Farah, Karim and Mueller-Plathe, Florian and Boehm, Michael C. (2012):
Classical Reactive Molecular Dynamics Implementations: State of the Art.
In: ChemPhysChem, pp. 1127-1151, 13, [Article]

Ndoro, Tinashe V. M. and Boehm, Michael C. and Mueller-Plathe, Florian (2012):
Interface and Interphase Dynamics of Polystyrene Chains near Grafted and Ungrafted Silica Nanoparticles.
In: Macromolecules, pp. 171-179, 45, [Article]

Ghanbari, Azadeh and Ndoro, Tinashe V. M. and Leroy, Frederic and Rahimi, Mohammad and Boehm, Michael C. and Mueller-Plathe, Florian (2012):
Interphase Structure in Silica-Polystyrene Nanocomposites: A Coarse-Grained Molecular Dynamics Study.
In: Macromolecules, pp. 572-584, 45, [Article]

Farah, Karim and Langeloth, Michael and Boehm, Michael C. and Mueller-Plathe, Florian (2012):
Surface-Induced Interphases During Curing Processes Between Bi- and Pentafunctional Components: Reactive Coarse-Grained Molecular Dynamics Simulations.
In: Journal of Adhesion, pp. 903-923, 88, [Article]

Alaghemandi, Mohammad and Mueller-Plathe, Florian and Boehm, Michael C. (2011):
Thermal conductivity of carbon nanotube-polyamide-6,6 nanocomposites: Reverse non-equilibrium molecular dynamics simulations.
In: Journal of Chemical Physics, 135, [Article]

Farah, Karim and Leroy, Frederic and Mueller-Plathe, Florian and Boehm, Michael C. (2011):
Interphase Formation during Curing: Reactive Coarse Grained Molecular Dynamics Simulations.
In: Journal of Physical Chemistry C, pp. 16451-16460, 115, [Article]

Ghanbari, Azadeh and Boehm, Michael C. and Mueller-Plathe, Florian (2011):
A Simple Reverse Mapping Procedure for Coarse-Grained Polymer Models with Rigid Side Groups.
In: Macromolecules, pp. 5520-5526, 44, [Article]

Ndoro, Tinashe V. M. and Voyiatzis, Evangelos and Ghanbari, Azadeh and Theodorou, Doros N. and Boehm, Michael C. and Mueller-Plathe, Florian (2011):
Interface of Grafted and Ungrafted Silica Nanoparticles with a Polystyrene Matrix: Atomistic Molecular Dynamics Simulations.
In: Macromolecules, pp. 2316-2327, 44, [Article]

Rahimi, Mohammad and Karimi-Varzaneh, Hossein Ali and Boehm, Michael C. and Mueller-Plathe, Florian and Pfaller, Sebastian and Possart, Gunnar and Steinmann, Paul (2011):
Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum mechanics domain.
In: Journal of Chemical Physics, 134, [Article]

Alaghemandi, Mohammad and Schulte, Joachim and Leroy, Frederic and Mueller-Plathe, Florian and Boehm, Michael C. (2011):
Correlation between Thermal Conductivity and Bond Length Alternation in Carbon Nanotubes: A Combined Reverse Nonequilibrium Molecular Dynamics-Crystal Orbital Analysis.
In: Journal of Computational Chemistry, pp. 121-133, 32, [Article]

Farah, Karim and Karimi-Varzaneh, Hossein A. and Mueller-Plathe, Florian and Boehm, Michael C. (2010):
Reactive Molecular Dynamics with Material-Specific Coarse-Grained Potentials: Growth of Polystyrene Chains from Styrene Monomers.
In: Journal of Physical Chemistry B, pp. 13656-13666, 114, [Article]

Alaghemandi, Mohammad and Leroy, Frederic and Mueller-Plathe, Florian and Boehm, Michael C. (2010):
Thermal rectification in nanosized model systems: A molecular dynamics approach.
In: Physical Review B, 81, [Article]

Alaghemandi, Mohammad and Leroy, Frederic and Algaer, Elena and Boehm, Michael C. and Mueller-Plathe, Florian (2010):
Thermal rectification in mass-graded nanotubes: a model approach in the framework of reverse non-equilibrium molecular dynamics simulations.
In: Nanotechnology, 21, [Article]

This list was generated on Sat Oct 12 00:32:56 2019 CEST.