TU Darmstadt / ULB / TUbiblio

Browse by Person

Up a level
Export as [feed] Atom [feed] RSS 1.0 [feed] RSS 2.0
Group by: No Grouping | Item Type | Date | Language
Number of items: 33.

Liu, Shengyuan ; Pfaller, Sebastian ; Rahimi, Mohammad ; Possart, Gunnar ; Steinmann, Paul ; Boehm, Michael C. ; Mueller-Plathe, Florian (2017):
Uniaxial deformation of polystyrene-silica nanocomposites studied by hybrid molecular dynamics-finite element simulations.
In: Computational Materials Science, 129, pp. 1-12. ISSN 0927-0256,
[Article]

Yang, Yong-Biao ; Rahimi, Mahshid ; Singh, Jayant K. ; Boehm, Michael C. ; 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, 120 (14), pp. 7510-7521. ISSN 1932-7447,
[Article]

Voyiatzis, Evangelos ; Mueller-Plathe, Florian ; Boehm, Michael C. (2016):
Influence of nanoparticle inclusion on the cavity size distribution and accessible volume in polystyrene - Silica nanocomposites.
In: Polymer, 101, pp. 107-118. ISSN 0032-3861,
[Article]

Pfaller, Sebastian ; Possart, Gunnar ; Steinmann, Paul ; Rahimi, Mohammad ; Mueller-Plathe, Florian ; 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,
[Article]

Masubuchi, Yuichi ; Langeloth, Michael ; Boehm, Michael C. ; Inoue, Tadashi ; Mueller-Plathe, Florian (2016):
A Multichain Slip-Spring Dissipative Particle Dynamics Simulation Method for Entangled Polymer Solutions.
In: Macromolecules, 49 (23), pp. 9186-9191. ISSN 0024-9297,
[Article]

Liu, Shengyuan ; Gerisch, Alf ; Rahimi, Mohammad ; Lang, Jens ; Boehm, Michael C. ; 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 ; Boehm, Michael C. ; Mueller-Plathe, Florian (2015):
A geometric approach to identify cavities in particle systems.
In: Computer Physics Communications, 196, pp. 247-254. ISSN 0010-4655,
[Article]

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

Langeloth, Michael ; Sugii, Taisuke ; Boehm, Michael C. ; 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, 12, pp. S71-S79. ISSN 1539-445X,
[Article]

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

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

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

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

Langeloth, Michael ; Masubuchi, Yuichi ; Boehm, Michael C. ; 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 ; Schulte, Joachim ; Mueller-Plathe, Florian ; 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, 554, pp. 60-66. [Article]

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

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

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

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

Farah, Karim ; Langeloth, Michael ; Boehm, Michael C. ; 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, 88, pp. 903-923. [Article]

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

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

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

Rahimi, Mohammad ; Karimi-Varzaneh, Hossein Ali ; Boehm, Michael C. ; Mueller-Plathe, Florian ; Pfaller, Sebastian ; Possart, Gunnar ; 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 ; Schulte, Joachim ; Leroy, Frederic ; Mueller-Plathe, Florian ; 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, 32, pp. 121-133. [Article]

Farah, Karim ; Karimi-Varzaneh, Hossein A. ; Mueller-Plathe, Florian ; 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, 114, pp. 13656-13666. [Article]

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

Alaghemandi, Mohammad ; Leroy, Frederic ; Algaer, Elena ; Boehm, Michael C. ; 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 Tue Aug 3 00:23:14 2021 CEST.