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Page 1
Addressing Surface Effects at the Particle-Continuum Interface in a Molecular Dynamics and Finite Elements Coupled Multiscale Simulation Technique.
J Chem Theory Comput. 2022 Apr 12;18(4):2375-2387. doi: 10.1021/acs.jctc.1c00940. Epub 2022 Mar 1.
J Chem Theory Comput. 2022.
PMID: 35229611
Multi-Scale Modelling of Plastic Deformation, Damage and Relaxation in Epoxy Resins.
Konrad J, Pfaller S, Zahn D.
Konrad J, et al. Among authors: pfaller s.
Polymers (Basel). 2022 Aug 9;14(16):3240. doi: 10.3390/polym14163240.
Polymers (Basel). 2022.
PMID: 36015500
Free PMC article.
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Investigation of interphase effects in silica-polystyrene nanocomposites based on a hybrid molecular-dynamics-finite-element simulation framework.
Pfaller S, Possart G, Steinmann P, Rahimi M, Müller-Plathe F, Böhm MC.
Pfaller S, et al.
Phys Rev E. 2016 May;93(5):052505. doi: 10.1103/PhysRevE.93.052505. Epub 2016 May 24.
Phys Rev E. 2016.
PMID: 27300943
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Nonperiodic stochastic boundary conditions for molecular dynamics simulations of materials embedded into a continuum mechanics domain.
Rahimi M, Karimi-Varzaneh HA, Böhm MC, Müller-Plathe F, Pfaller S, Possart G, Steinmann P.
Rahimi M, et al. Among authors: pfaller s.
J Chem Phys. 2011 Apr 21;134(15):154108. doi: 10.1063/1.3576122.
J Chem Phys. 2011.
PMID: 21513376
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Extensive CGMD Simulations of Atactic PS Providing Pseudo Experimental Data to Calibrate Nonlinear Inelastic Continuum Mechanical Constitutive Laws.
Ries M, Possart G, Steinmann P, Pfaller S.
Ries M, et al. Among authors: pfaller s.
Polymers (Basel). 2019 Nov 6;11(11):1824. doi: 10.3390/polym11111824.
Polymers (Basel). 2019.
PMID: 31698788
Free PMC article.
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