Institut Charles Sadron Membre

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4. Hendrik Meyer

polymer melts studied by molecular dynamics simulations: bulk, confinement, cristallization, glassy dynamics, chain architecture

2023

Fall, W.S.; Baschnagel, J.; Benzerara, O.; Lhost, O.; Meyer, H. (2023), Molecular Simulations of Controlled Polymer Crystallization in Polyethylene,Acs Macro Letters,12(6) : 808-813 link

2022

Klochko, L.; Baschnagel, J.; Wittmer, J.P.; Meyer, H.; Benzerara, O.; Semenov, A.N. (2022), Theory of length-scale dependent relaxation moduli and stress fluctuations in glass-forming and viscoelastic liquids,Journal Of Chemical Physics,156(16) : link

Demydiuk, F.; Solar, M.; Meyer, H.; Benzerara, O.; Paul, W.; Baschnagel, J. (2022), Role of torsional potential in chain conformation, thermodynamics, and glass formation of simulated polybutadiene melts,Journal Of Chemical Physics,156(23) : link

2020

Zhang, J.; Meyer, H.; Virnau, P.; Daoulas, K.C. (2020), Can Soft Models Describe Polymer Knots?,Macromolecules,53(23) : 10475-10486 link

2019

Salamone, S.; Schulmann, N.; Benzerara, O.; Meyer, H.; Charitat, T.; Marques, C.M. (2019), The role of shape disorder in the collective behaviour of aligned fibrous matter,Soft Matter,15(12) : 2657-2665 link

2018

George, G.; Kriuchevskyi, I.; Meyer, H.; Baschnagel, J.; Wittmer, J.P. (2018), Shear-stress relaxation in free-standing polymer films,Physical Review E,98(6) : link

Meyer, H.; Horwath, E.; Virnau, P. (2018), Mapping onto Ideal Chains Overestimates Self-Entanglements in Polymer Melts,Acs Macro Letters,7(6) : 757-761 link

Helfferich, J.; Brisch, J.; Meyer, H.; Benzerara, O.; Ziebert, F.; Farago, J.; Baschnagel, J. (2018), Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities,European Physical Journal E,41(6) : link

Kriuchevskyi, I.; Wittmer, J.P.; Meyer, H.; Benzerara, O.; Baschnagel, J. (2018), Shear-stress fluctuations and relaxation in polymer glasses,Physical Review E,97(1) : link

2017

Kriuchevskyi, I.; Wittmer, J.P.; Meyer, H.; Baschnagel, J. (2017), Shear Modulus and Shear-Stress Fluctuations in Polymer Glasses,Physical Review Letters,119(14) : link

Tanis, I.; Meyer, H.; Salez, T.; Raphael, E.; Maggs, A.C.; Baschnagel, J. (2017), Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films,Journal Of Chemical Physics,146(20) : link

Kriuchevskyi, I.; Wittmer, J.P.; Benzerara, O.; Meyer, H.; Baschnagel, J. (2017), Numerical determination of shear stress relaxation modulus of polymer glasses,European Physical Journal E,40(4) : link

Dolgushev, M.; Wittmer, J.P.; Johner, A.; Benzerara, O.; Meyer, H.; Baschnagel, J. (2017), Marginally compact hyperbranched polymer trees,Soft Matter,13(13) : 2499-2512 link

Lee, N.-K.; Diddens, D.; Meyer, H.; Johner, A. (2017), Local Chain Segregation and Entanglements in a Confined Polymer Melt,Physical Review Letters,118(6) : link

2016

Baschnagel, J.; Meyer, H.; Wittmer, J.; Kulic, I.; Mohrbach, H.; Ziebert, F.; Nam, G.-M.; Lee, N.-K.; Johner, A. (2016), Semiflexible Chains at Surfaces: Worm-Like Chains and beyond,Polymers,8(8) : link

2015

Frey, S.; Weysser, F.; Meyer, H.; Farago, J.; Fuchs, M.; Baschnagel, J. (2015), Simulated glass-forming polymer melts: Dynamic scattering functions, chain length effects, and mode-coupling theory analysis,European Physical Journal E,38(2) : link

Helfferich, J.; Vollmayr-Lee, K.; Ziebert, F.; Meyer, H.; Baschnagel, J. (2015), Glass formers display universal non-equilibrium dynamics on the level of single-particle jumps,Epl,109(3) : link

2014

Helfferich, J.; Ziebert, F.; Frey, S.; Meyer, H.; Farago, J.; Blumen, A.; Baschnagel, J. (2014), Continuous-time random-walk approach to supercooled liquids. II. Mean-square displacements in polymer melts,Physical Review E,89(4) : link

Helfferich, J.; Ziebert, F.; Frey, S.; Meyer, H.; Farago, J.; Blumen, A.; Baschnagel, J. (2014), Continuous-time random-walk approach to supercooled liquids. I. Different definitions of particle jumps and their consequences,Physical Review E,89(4) : link

Johner, A.; Thalmann, F.; Baschnagel, J.; Meyer, H.; Obukhov, S.; Wittmer, J.P. (2014), Two-dimensional polymeric liquids and polymer stars: learning from conflicting theories,Journal Of Statistical Mechanics-Theory And Experiment,() : link

Obukhov, S.; Johner, A.; Baschnagel, J.; Meyer, H.; Wittmer, J.P. (2014), Melt of polymer rings: The decorated loop model,Epl,105(4) : link

2013

Morhenn, H.; Busch, S.; Meyer, H.; Richter, D.; Petry, W.; Unruh, T. (2013), Collective Intermolecular Motions Dominate the Picosecond Dynamics of Short Polymer Chains,Physical Review Letters,111(17) : link

Mortazavi, B.; Benzerara, O.; Meyer, H.; Bardon, J.; Ahzi, S. (2013), Combined molecular dynamics-finite element multiscale modeling of thermal conduction in graphene epoxy nanocomposites,Carbon,60() : 356-365 link

Solar, M.; Meyer, H.; Gauthier, C. (2013), Analysis of local properties during a scratch test on a polymeric surface using molecular dynamics simulations,European Physical Journal E,36(3) : link

Semenov, A.N.; Meyer, H. (2013), Anomalous diffusion in polymer monolayers,Soft Matter,9(16) : 4249-4272 link

2012

Meyer, H.; Semenov, A.N. (2012), Anomalous Dynamics in 2D Polymer Melts,Physical Review Letters,109(24) : link

Schulmann, N.; Xu, H.; Meyer, H.; Polinska, P.; Baschnagel, J.; Wittmer, J.P. (2012), Strictly two-dimensional self-avoiding walks: Thermodynamic properties revisited,European Physical Journal E,35(9) : link

Farago, J.; Meyer, H.; Baschnagel, J.; Semenov, A.N. (2012), Hydrodynamic and viscoelastic effects in polymer diffusion,Journal Of Physics-Condensed Matter,24(28) : link

Semenov, A.N.; Farago, J.; Meyer, H. (2012), Length-scale dependent relaxation shear modulus and viscoelastic hydrodynamic interactions in polymer liquids,Journal Of Chemical Physics,136(24) : link

Farago, J.; Semenov, A.N.; Meyer, H.; Wittmer, J.P.; Johner, A.; Baschnagel, J. (2012), Mode-coupling approach to polymer diffusion in an unentangled melt. I. The effect of density fluctuations,Physical Review E,85(5, 1) : link

Farago, J.; Meyer, H.; Baschnagel, J.; Semenov, A.N. (2012), Mode-coupling approach to polymer diffusion in an unentangled melt. II. The effect of viscoelastic hydrodynamic interactions,Physical Review E,85(5, 1) : link

Solar, M.; Meyer, H.; Gauthier, C.; Fond, C.; Benzerara, O.; Schirrer, R.; Baschnagel, J. (2012), Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulations,Physical Review E,85(2, 1) : link

Schulmann, N.; Meyer, H.; Wittmer, J.P.; Johner, A.; Baschnagel, J. (2012), Interchain Monomer Contact Probability in Two-Dimensional Polymer Solutions,Macromolecules,45(3) : 1646-1651 link

2011

Wittmer, J.P.; Cavallo, A.; Xu, H.; Zabel, J.E.; Polinska, P.; Schulmann, N.; Meyer, H.; Farago, J.; Johner, A.; Obukhov, S.P.; Baschnagel, J. (2011), Scale-Free Static and Dynamical Correlations in Melts of Monodisperse and Flory-Distributed Homopolymers A Review of Recent Bond-Fluctuation Model Studies,Journal Of Statistical Physics,145(4) : 1017-1126 link

Farago, J.; Meyer, H.; Semenov, A.N. (2011), Anomalous Diffusion of a Polymer Chain in an Unentangled Melt,Physical Review Letters,107(17) : link

Solar, M.; Meyer, H.; Gauthier, C.; Benzerara, O.; Schirrer, R.; Baschnagel, J. (2011), Molecular dynamics simulations of the scratch test on linear amorphous polymer surfaces: A study of the local friction coefficient,Wear,271(11-12) : 2751-2758 link

Schnell, B.; Meyer, H.; Fond, C.; Wittmer, J.P.; Baschnagel, J. (2011), Simulated glass-forming polymer melts: Glass transition temperature and elastic constants of the glassy state,European Physical Journal E,34(9) : link

Meyer, H.; Schulmann, N.; Zabel, J.E.; Wittmer, J.P. (2011), The structure factor of dense two-dimensional polymer solutions,Computer Physics Communications,182(9, Si) : 1949-1953 link

Wittmer, J.P.; Polinska, P.; Meyer, H.; Farago, J.; Johner, A.; Baschnagel, J.; Cavallo, A. (2011), Scale-free center-of-mass displacement correlations in polymer melts without topological constraints and momentum conservation: A bond-fluctuation model study,Journal Of Chemical Physics,134(23) : link

Lee, N.-K.; Farago, J.; Meyer, H.; Wittmer, J.P.; Baschnagel, J.; Obukhov, S.P.; Johner, A. (2011), Non-ideality of polymer melts confined to nanotubes,Epl,93(4) : link

2010

Solar, M.; Meyer, H.; Gauthier, C.; Benzerara, O.; Pelletier, H.; Schirrer, R.; Baschnagel, J. (2010), Molecular dynamics simulations as a way to investigate the local physics of contact mechanics: a comparison between experimental data and numerical results,Journal Of Physics D-Applied Physics,43(45) : link

Wittmer, J.P.; Meyer, H.; Johner, A.; Kreer, T.; Baschnagel, J. (2010), Algebraic Displacement Correlation in Two-Dimensional Polymer Melts,Physical Review Letters,105(3) : link

Durand, M.; Meyer, H.; Benzerara, O.; Baschnagel, J.; Vitrac, O. (2010), Molecular dynamics simulations of the chain dynamics in monodisperse oligomer melts and of the oligomer tracer diffusion in an entangled polymer matrix,Journal Of Chemical Physics,132(19) : link

Meyer, H.; Wittmer, J.P.; Kreer, T.; Johner, A.; Baschnagel, J. (2010), Static properties of polymer melts in two dimensions,Journal Of Chemical Physics,132(18) : link

Wittmer, J.P.; Johner, A.; Obukhov, S.P.; Meyer, H.; Cavallo, A.; Baschnagel, J. (2010), Distance Dependence of Angular Correlations in Dense Polymer Solutions,Macromolecules,43(3) : 1621-1628 link

2009

Peter, S.; Meyer, H.; Baschnagel, J. (2009), Molecular dynamics simulations of concentrated polymer solutions in thin film geometry. II. Solvent evaporation near the glass transition,Journal Of Chemical Physics,131(1) : link

Peter, S.; Meyer, H.; Baschnagel, J. (2009), Molecular dynamics simulations of concentrated polymer solutions in thin film geometry. I. Equilibrium properties near the glass transition,Journal Of Chemical Physics,131(1) : link

Meyer, H.; Kreer, T.; Aichele, M.; Cavallo, A.; Johner, A.; Baschnagel, J.; Wittmer, J.P. (2009), Perimeter length and form factor in two-dimensional polymer melts,Physical Review E,79(5) : link

Peter, S.; Meyer, H.; Baschnagel, J. (2009), MD simulation of concentrated polymer solutions: Structural relaxation near the glass transition,European Physical Journal E,28(2) : 147-158 link

2008

Meyer, H.; Wittmer, J.P.; Kreer, T.; Beckrich, P.; Johner, A.; Farago, J.; Baschnagel, J. (2008), Static Rouse modes and related quantities: Corrections to chain ideality in polymer melts,European Physical Journal E,26(1-2) : 25-33 link

Peter, S.; Napolitano, S.; Meyer, H.; Wubbenhorst, M.; Baschnagel, J. (2008), Modeling Dielectric Relaxation in Polymer Glass Simulations: Dynamics in the Bulk and in Supported Polymer Films,Macromolecules,41(20) : 7729-7743 link

2007

Chong, S.-H.; Aichele, M.; Meyer, H.; Fuchs, M.; Baschnagel, J. (2007), Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations,Physical Review E,76(5, 1) : link

Zhang, D.; Meyer, H. (2007), Molecular dynamics study of polymer crystallization in the presence of a particle,Journal Of Polymer Science Part B-Polymer Physics,45(16) : 2161-2166 link

Wittmer, J.P.; Beckrich, P.; Crevel, F.; Huang, C.C.; Cavallo, A.; Kreer, T.; Meyer, H. (2007), Are polymer melts “ideal”?,Computer Physics Communications,177(1-2) : 146-149 link

Wittmer, J.P.; Beckrich, P.; Meyer, H.; Cavallo, A.; Johner, A.; Baschnagel, J. (2007), Intramolecular long-range correlations in polymer melts: The segmental size distribution and its moments,Physical Review E,76(1, 1) : link

Peter, S.; Meyer, H.; Baschnagel, J.; Seemann, R. (2007), Slow dynamics and glass transition in simulated free-standing polymer films: a possible relation between global and local glass transition temperatures,Journal Of Physics-Condensed Matter,19(20) : link

Vettorel, T.; Meyer, H.; Baschnagel, J.; Fuchs, M. (2007), Structural properties of crystallizable polymer melts: Intrachain and interchain correlation functions,Physical Review E,75(4, 1) : link

Meyer, H.; Kreer, T.; Cavallo, A.; Wittmer, J.P.; Baschnagel, J. (2007), On the dynamics and disentanglement in thin and two-dimensional polymer films,European Physical Journal-Special Topics,141() : 167-172 link

Wittmer, J.P.; Beckrich, P.; Johner, A.; Semenov, A.N.; Obukhov, S.P.; Meyer, H.; Baschnagel, J. (2007), Why polymer chains in a melt are not random walks,Epl,77(5) : link

2006

Peter, S.; Meyer, H.; Baschnagel, J. (2006), Thickness-dependent reduction of the glass-transition temperature in thin polymer films with a free surface,Journal Of Polymer Science Part B-Polymer Physics,44(20) : 2951-2967 link

Vettorel, T.; Meyer, H. (2006), Coarse graining of short polythylene chains for studying polymer crystallization,Journal Of Chemical Theory And Computation,2(3) : 616-629 link

2004

Wittmer, J.P.; Meyer, H.; Baschnagel, J.; Johner, A.; Obukhov, S.; Mattioni, L.; Muller, M.; Semenov, A.N. (2004), Long range bond-bond correlations in dense polymer solutions,Physical Review Letters,93(14) : link

2003

Meyer, H.; Baschnagel, J. (2003), Structure formation of supercooled polymers in confined geometries - A molecular-dynamics simulation study,European Physical Journal E,12(1) : 147-151 link

Baschnagel, J.; Meyer, H.; Varnik, F.; Metzger, S.; Aichele, M.; Muller, M.; Binder, K. (2003), Computer simulations of polymers close to solid interfaces: Some selected topics,Interface Science,11(2) : 159-173 link

2002

Reith, D.; Meyer, H.; Muller-Plathe, F. (2002), CG-OPT: A software package for automatic force field design,Computer Physics Communications,148(3) : 299-313 link

Meyer, H.; Muller-Plathe, F. (2002), Formation of chain-folded structures in supercooled polymer melts examined by MD simulations,Macromolecules,35(4) : 1241-1252 link

2001

Meyer, H.; Entel, P.; Hafner, J. (2001), Physisorption of water on salt surfaces,Surface Science,488(1-2) : 177-192 link

Meyer, H.; Muller-Plathe, F. (2001), Formation of chain-folded structures in supercooled polymer melts,Journal Of Chemical Physics,115(17) : 7807-7810 link

Reith, D.; Meyer, H.; Muller-Plathe, F. (2001), Mapping atomistic to coarse-grained polymer models using automatic simplex optimization to fit structural properties,Macromolecules,34(7) : 2335-2345 link

2000

Meyer, H.; Biermann, O.; Faller, R.; Reith, D.; Muller-Plathe, F. (2000), Coarse graining of nonbonded inter-particle potentials using automatic simplex optimization to fit structural properties,Journal Of Chemical Physics,113(15) : 6264-6275 link

Fall, W.S.; Baschnagel, J.; Lhost, O.; Meyer, H. (), Role of Short Chain Branching in Crystalline Model Polyethylenes,Macromolecules,() : link