Institut Charles Sadron

Institut Charles Sadron Membre

Jörg Baschnagel

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Equipe : TSP

University training, degrees and professional experience

1984-1990

Chemistry major at the Johannes Gutenberg-University Mainz (Germany), including foreign studies in the USA at the University of Massachusetts, Amherst, Polymer Science and Engineering Department (1987/1988)

1993

Teaching assistant and doctoral thesis at the Physics Department of the Johannes Gutenberg-University Mainz (Germany). Supervisor: Prof. K. Binder

1995-1997

Post-doc with Prof. J.-F. Joanny at the Institut Charles Sadron, Strasbourg (France)

1999

Habilitation in Theoretical Physics at the Johannes Gutenberg-University Mainz (Germany). Mentor: Prof. K. Binder

Since 1999

Professor of Physics at the University of Strasbourg (France)

Research activities (and some publications)

Molecular simulations in soft matter physics

Review of Monte Carlo simulation of coarse-grained polymer models [J. Baschnagel, J. P. Wittmer, H. Meyer (NIC Series 23, 83 (2004)]
Analysis of the dynamical properties of the slithering snake algorithm and a numerical test of the activated reptation hypothesis [L. Mattioni et al., Eur. Phys. J. E 10, 369 (2003)]

Conformation, structure and dynamics of polymer solutions and melts

In polymer melts excluded volume interactions are not screened down to the monomer scale. They lead to long-range correlations and so to corrections to chain ideality [J. P. Wittmer et al., Phys. Rev. E 76, 011803 (2007)]
In polymer melts hydrodynamic interactions are not screened for all times: Mediated by the melt’s viscoelasticity these interactions impact the polymer dynamics [J. Farago et al., Phys. Rev. E 85, 051807 (2012); J. Phys.: Condens. Matter 24, 284105 (2012)]
MD simulations verify that self-avoiding chains in strictly two-dimensional melts are segregated and compact, and have a fractal boundary [H. Meyer et al., J. Chem. Phys. 132, 184904 (2010)]

Slow dynamics in supercooled polymer melts and other complex liquids

Dynamic heterogeneities and higher-order correlation functions: In a polymer melt the range of correlated motion of the monomers grows on cooling towards the glass transition [C. Bennemann et al., Nature 399, 246 (1999)]
Extension of idealized mode-coupling theory to polymer melts and ab-initio comparison with MD simulations [S.-H. Chong et al., Phys. Rev. E 76, 051806 (2007) ; S. Frey et al., Eur. Phys. J. E 38, 11 (2015)]
At low temperatures monomers display jump-like motion which can be analyzed in terms of continuous-time random walks: methodology, mean-square displacement, van Hove correlation function [J. Helfferich et al., Phys. Rev. E 89, 042603 (2014); Phys. Rev. E 89, 042604 (2014); Eur. Phys. J. E 41, 71 (2018)]
The Voronoi binary liquid - a model for a simple fluid whose interactions are defined in terms of the Voronoi cells of the configurations and are thus local and many-body: Structural properties, glassy dynamics, and composition fluctuations [C. Ruscher et al., Phys. Rev. E 97, 032132 (2018); J. Phys.: Condens. Matter 33, 064001 (2021)]
A two-dimensional polydisperse glass-forming Lennard-Jones system: Analysis, by theory, MD and Monte simulations, shows that for this isotopic, achiral, equilibrium system the spatial correlations of the stress tensor [L. Klochko et al., J. Chem. Phys. 156, 164505 (2022); J. Wittmer et al., Phys. Rev. E 108, 015002 (2023)] and of the strain tensor [J. Wittmer et al., Soft Matter 19, 6140 (2023)] become long-ranged when elasticity emerges upon cooling to low temperature

Mechanical and viscoelastic properties of amorphous systems

Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulations [M. Solar et al., Phys. Rev. E 85, 021808 (2012)]
Shear modulus in simple glass formers, isotropic networks and polymer glasses: Application of the stress-fluctuation formalism and relation to the shear relaxation modulus, effects of temperature and sampling time [J. P. Wittmer et al., J. Chem. Phys. 138, 12A533 (2013); I. Kriuchevskyi et al., Phys. Rev. E. 97, 012502 (2018); L. Klochko et al., J. Chem. Phys. 151, 054504 (2019)]
Shear stress relaxation in self-assembled transient networks : A simple model for "vitrimers" [J. P. Wittmer et al., Phys. Rev. E 93, 062611 (2016)]

Polymers at interfaces

MD results on the pressure tensor of polymer films [F. Varnik, J. Baschnagel, K. Binder, J. Chem. Phys. 113, 4444 (2000)]
Concentrated polymer solutions in a thin-film geometry : From equilibrium properties to solvent evaporation [S. Peter, H. Meyer, J. Baschnagel, J. Chem. Phys. 131, 014902 (2009) ; J. Chem. Phys. 131, 014903 (2009)]
Frictional forces and shear thinning in compressed nonentangled polymer brushes : Scaling theory, MD simulations and comparison to experiment [A. Galuschko et al., Langmuir 26, 6418 (2010)]
Molecular dynamics simulations show that viscoelastic effects are important to understand the capillary leveling of a step of a thin polymer film on an underlayer of the same polymer material [I. Tanis et al. J. Chem. Phys. 146, 203327 (2017)]

Polymer crystallization

On the role of short chain branches (SCBs) in crystalline model polyethylenes: lamella thickness decreases systematically with both faster cooling and increasing SCB content [W. S. Fall et al., Macromolecules 55, 8438 (2022)]
By adapting the experimental technique of “self-seeding” to simulations it is possible to grow unprecedentedly large polymer crystals in simulation and to unveil the crucial role played by chain branching to control the crystalline structure [W. S. Fall et al., ACS Macro Lett. 12, 808 (2023)]

Professional activities, outreach

2001-2006

Member of the directory board (with P. Lutz, Strasbourg / K. Kremer & D. Vollmer, Mainz) of the European Associate Laboratory between the Institut Charles Sadron and the Max-Planck Institute for Polymer Research (MPIP, Mainz, Germany)

2001-2010

Direction (“Spokesperson”) with G. Maret (Konstanz, Germany) of the International Research Training Group (IRTG) “Soft Condensed Matter Physics of Model Systems” between Konstanz, Strasbourg and Grenoble

2005-2021

Head of the “Theory and Simulation of Polymers” group (Institut Charles Sadron)

2008-2021

Associate editor of the European Physical Journal E

2009-2015

Member of the scientific advisory board of the Leibniz-Institute for Polymer Research (IPF) at Dresden (Germany)

2010-2019

Direction (“Spokesperson”) with G. Reiter (Freiburg, Germany) of the International Research Training Group (IRTG) “Soft Matter Science: Concepts for the Design of Functional Materials” with Freiburg, Basel, Mulhouse and Strasbourg

2012-2015

Deputy member of the “Conseil National des Universités (CNU)” (Section 28)

Since 2014

Member of the directory board (with Prof. V. Le Houérou, Strasbourg and Prof. P. Shastri, Freiburg) of the International Master of Polymer Science between the Universities of Freiburg and Strasbourg

2016-2020

Member of the steering committee of the CPER AlsaCalcul 2015–2020

Since 2021

Member of the graduate school committee of the Interdisciplinary Thematic Institut (ITI) “HiFunMat”

Awards, distinctions

Award of the Johannes Gutenberg-University with the Diploma in Chemistry (1991)

Johannes-Gutenberg award of the Chemistry Department with the PhD thesis (1994)

Junior Member of the Institut Universitaire de France (2003-2008)

Young Investigator award of the joint division of the SFP–GFP (French Physical Society-French Polymer Research Association, 2004)

Publications

Books: Stochastic Processes : From Physics to Finance (Springer, 2013)

Some review articles:

J. Baschnagel et al., Bridging the Gap Between Atomistic and Coarse-Grained Models of Polymers : Status and Perspectives, Adv. Polym. Sci. 152, 41 (2000)
J. Baschnagel, F. Varnik, Computer simulations of supercooled polymer melts in the bulk and in confined geometry, J. Phys. : Condens. Matter 17, R851 (2005)
J. P. Wittmer et al., Scale-Free Static and Dynamical Correlations in Melts of Monodisperse and Flory-Distributed Homopolymers, J. Stat. Phys. 145, 1017 (2011)
N. Schulmann et al., Strictly two-dimensional self-avoiding walks : Density crossover scaling, Polym. Sci. Series C 55, 990 (2013)
J. Baschnagel et al., Glass Transition and Relaxation Behavior of Supercooled Polymer Melts : An Introduction to Modeling Approaches by Molecular Dynamics Simulations and to Comparisons With Mode-Coupling Theory, in Polymer Glasses, edited by C. Roth (CRC Press, Taylor & Francis group, 2016, pp. 55-106)

Recent publications:

Publications

2023

Journal articles

titre: Strain correlation functions in isotropic elastic bodies: large wavelength limit for two-dimensional systems
auteur: J P Wittmer, A N Semenov, J. Baschnagel
article: Soft Matter, 2023, 19 (32), pp.6140-6156. ⟨10.1039/D3SM00424D⟩
Resume_court: Strain correlation functions in two-dimensional isotropic elastic bodies are shown both theoreticall .....
typdoc: Journal articles
DOI: DOI : 10.1039/D3SM00424D
Accès au texte intégral et bibtex

titre: Correlations of tensor field components in isotropic systems with an application to stress correlations in elastic bodies
auteur: J P Wittmer, A N Semenov, J. Baschnagel
article: Physical Review E , 2023, 108 (1), pp.015002. ⟨10.1103/PhysRevE.108.015002⟩
Resume_court: Correlation functions of components of second-order tensor fields in isotropic systems can be reduce .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.108.015002
Accès au texte intégral et bibtex

2022

Journal articles

titre: Role of Short Chain Branching in Crystalline Model Polyethylenes
auteur: William Fall, Jörg Baschnagel, Olivier Lhost, Hendrik Meyer
article: Macromolecules, 2022, 55 (19), pp.8438-8450. ⟨10.1021/acs.macromol.2c00938⟩
Resume_court: The role of short chain branches (SCBs) (C4H9) on the melt and crystalline properties of monodispers .....
typdoc: Journal articles
DOI: DOI : 10.1021/acs.macromol.2c00938
Accès au texte intégral et bibtex

titre: Stress Fluctuations in Glass‐Forming Systems: Elastic Response and Long‐Range Correlations
auteur: Liudmyla Klochko, Jorg Baschnagel, Joachim Wittmer, Alexander Semenov
article: Macromolecular Symposia, 2022, 405 (1), pp.2100215. ⟨10.1002/masy.202100215⟩
Resume_court: The dynamics of two model glass-formers (3D oligomer melt and 2D polydisperse colloidal system) are .....
typdoc: Journal articles
DOI: DOI : 10.1002/masy.202100215
Accès au texte intégral et bibtex

titre: Role of torsional potential in chain conformation, thermodynamics, and glass formation of simulated polybutadiene melts
auteur: F. Demydiuk, M. Solar, H. Meyer, O. Benzerara, W. Paul, J. Baschnagel
article: The Journal of Chemical Physics, 2022, 156 (23), pp.234902. ⟨10.1063/5.0094536⟩
Resume_court: For polymer chains, the torsional potential is an important intramolecular energy influencing chain .....
typdoc: Journal articles
DOI: DOI : 10.1063/5.0094536
Accès au texte intégral et bibtex

titre: Theory of length-scale dependent relaxation moduli and stress fluctuations in glass-forming and viscoelastic liquids
auteur: L. Klochko, J. Baschnagel, J. Wittmer, H. Meyer, O. Benzerara, Alexander Semenov
article: The Journal of Chemical Physics, 2022, 156 (16), pp.164505. ⟨10.1063/5.0085800⟩
Resume_court: The spatiotemporal correlations of the local stress tensor in supercooled liquids are studied both t .....
typdoc: Journal articles
DOI: DOI : 10.1063/5.0085800
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titre: Different types of spatial correlation functions for non-ergodic stochastic processes of macroscopic systems
auteur: Joachim Wittmer, Alexander Semenov, Jörg Baschnagel
article: European Physical Journal E: Soft matter and biological physics, 2022, 45 (8), pp.65. ⟨10.1140/epje/s10189-022-00222-1⟩
Resume_court: Focusing on non-ergodic macroscopic systems we reconsider the variances δO 2 of time averages O[x] .....
typdoc: Journal articles
DOI: DOI : 10.1140/epje/s10189-022-00222-1
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2021

Journal articles

titre: Simple models for strictly non-ergodic stochastic processes of macroscopic systems
auteur: G. George, L. Klochko, Alexander Semenov, J. Baschnagel, J. Wittmer
article: European Physical Journal E: Soft matter and biological physics, 2021, 44 (10), pp.125. ⟨10.1140/epje/s10189-021-00129-3⟩
typdoc: Journal articles
DOI: DOI : 10.1140/epje/s10189-021-00129-3
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titre: Ensemble fluctuations matter for variances of macroscopic variables
auteur: G George, L Klochko, A N Semenov, J Baschnagel, J P Wittmer
article: European Physical Journal E: Soft matter and biological physics, 2021, 44 (2), pp.13. ⟨10.1140/epje/s10189-020-00004-7⟩
Resume_court: Extending recent work on stress fluctuations in complex fluids and amorphous solids we describe in g .....
typdoc: Journal articles
DOI: DOI : 10.1140/epje/s10189-020-00004-7
Accès au texte intégral et bibtex

titre: General relations to obtain the time-dependent heat capacity from isothermal simulations
auteur: L. Klochko, J. Baschnagel, J. P Wittmer, Alexander N Semenov
article: The Journal of Chemical Physics, 2021, 154 (16), pp.164501. ⟨10.1063/5.0046697⟩
Resume_court: It is well-known that time-dependent correlation functions related to temperature and energy can cru .....
typdoc: Journal articles
DOI: DOI : 10.1063/5.0046697
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titre: Fluctuations of non-ergodic stochastic processes
auteur: G. George, L. Klochko, Alexander N Semenov, J. Baschnagel, J. P Wittmer
article: European Physical Journal E: Soft matter and biological physics, 2021, 44 (4), pp.54. ⟨10.1140/epje/s10189-021-00070-5⟩
Resume_court: We investigate the standard deviation δv(∆t) of the variance v[x] of time series x measured over .....
typdoc: Journal articles
DOI: DOI : 10.1140/epje/s10189-021-00070-5
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titre: Relaxation moduli of glass-forming systems: temperature effects and fluctuations
auteur: L. Klochko, J. Baschnagel, J. Wittmer, Alexander Semenov
article: Soft Matter, In press, ⟨10.1039/D1SM00778E⟩
Resume_court: Equilibrium and dynamical properties of a two-dimensional polydisperse colloidal model system are ch .....
typdoc: Journal articles
DOI: DOI : 10.1039/D1SM00778E
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2020

Journal articles

titre: Glassy dynamics of a binary Voronoi fluid: a mode-coupling analysis
auteur: C Ruscher, S Ciarella, C Luo, L Janssen, J Farago, J. Baschnagel
article: Journal of Physics: Condensed Matter, 2020, 33 (6), pp.064001. ⟨10.1088/1361-648X/abc4cc⟩
Resume_court: Abstract The binary Voronoi mixture is a fluid model whose interactions are derived from the Voronoi .....
typdoc: Journal articles
DOI: DOI : 10.1088/1361-648X/abc4cc
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titre: Composition fluctuations in polydisperse liquids: Glasslike effects well above the glass transition
auteur: Liudmyla Klochko, Jörg Baschnagel, Joachim Paul Wittmer, Olivier Benzerara, Céline Ruscher, Alexander Semenov
article: Physical Review E , 2020, 102 (4), pp.042611. ⟨10.1103/PhysRevE.102.042611⟩
Resume_court: We study a 2-dimensional glassforming system of slightly polydisperse LJ particles using MD simulati .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.102.042611
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2019

Journal articles

titre: Relaxation dynamics in supercooled oligomer liquids: From shear-stress fluctuations to shear modulus and structural correlations
auteur: L. Klochko, J. Baschnagel, J. Wittmer, Alexander N Semenov
article: The Journal of Chemical Physics, 2019, 151 (5), pp.054504. ⟨10.1063/1.5110997⟩
typdoc: Journal articles
DOI: DOI : 10.1063/1.5110997
Accès au texte intégral et bibtex

titre: Relaxation dynamics in supercooled oligomer liquids: From shear-stress fluctuations to shear modulus and structural correlations
auteur: L. Klochko, J. Baschnagel, J. Wittmer, Alexander Semenov
article: The Journal of Chemical Physics, 2019, 151 (5), pp.054504. ⟨10.1063/1.5110997⟩
typdoc: Journal articles
DOI: DOI : 10.1063/1.5110997
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titre: Microscopic Structure of Compacted Polyelectrolyte Complexes: Insights from Molecular Dynamics Simulations
auteur: Diddo Diddens, Joerg Baschnagel, Albert Johner
article: ACS Macro Letters, 2019, 8, pp.123-127. ⟨10.1021/acsmacrolett.8b00630⟩
Resume_court: We utilize atomistic molecular dynamics (MD) simulations to study local structural changes inside a .....
typdoc: Journal articles
DOI: DOI : 10.1021/acsmacrolett.8b00630
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2018

Journal articles

titre: Shear-stress relaxation in free-standing polymer films
auteur: George G., Kriuchevsky I., Meyer H., Baschnagel J., Joachim Wittmer
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2018, ⟨10.1103/PhysRevE.98.062502⟩
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.98.062502
Accès au bibtex

titre: Shear-stress relaxation in free-standing polymer films
auteur: G. George, I. Kriuchevskyi, H. Meyer, J. Baschnagel, J. P. Wittmer
article: Physical Review E , 2018, 98 (6), pp.062502. ⟨10.1103/PhysRevE.98.062502⟩
Resume_court: Using molecular dynamics simulation of a polymer glass model we investigate free-standing polymer fi .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.98.062502
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titre: Continuous-time random-walk approach to supercooled liquids: Self-part of the van Hove function and related quantities
auteur: J. Helfferich, J. Brisch, Hendrik Meyer, Olivier Benzerara, F. Ziebert, Jean Farago, Jörg Baschnagel
article: EPJ ST, 2018, 41 (6), ⟨10.1140/epje/i2018-11680-1⟩
typdoc: Journal articles
DOI: DOI : 10.1140/epje/i2018-11680-1
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titre: Voronoi glass-forming liquids: A structural study
auteur: Céline Ruscher, Jörg Baschnagel, Jean Farago
article: Physical Review E, 2018, 97 (3), pp.032132. ⟨10.1103/PhysRevE.97.032132⟩
Resume_court: We introduce a theoretical model of simple fluid, whose interactions, defined in terms of the Vorono .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.97.032132
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titre: Shear-stress fluctuations and relaxation in polymer glasses
auteur: Ivan Kriuchevskyi, Joachim P Wittmer, Hendrik Meyer, Olivier Benzerara, Jörg Baschnagel
article: Physical Review E , 2018, 97 (1), pp.012502. ⟨10.1103/PhysRevE.97.012502⟩
Resume_court: We investigate by means of molecular dynamics simulation a coarse-grained polymer glass model focusi .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.97.012502
Accès au texte intégral et bibtex

titre: Shear-stress fluctuations and relaxation in polymer glasses
auteur: I. Kriuchevskyi, J. P. Wittmer, H. Meyer, O. Benzerara, J. Baschnagel
article: Physical Review E , 2018, 97 (1), pp.012502. ⟨10.1103/PhysRevE.97.012502⟩
Resume_court: We investigate by means of molecular dynamics simulation a coarse-grained polymer glass model focusi .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.97.012502
Accès au bibtex

titre: Shear-stress fluctuations and relaxation in polymer glasses
auteur: I. Kriuchevskyi, J. Wittmer, H. Meyer, O. Benzerara, J. Baschnagel
article: Physical Review E , 2018, 97 (1), pp.012502. ⟨10.1103/PhysRevE.97.012502⟩
Resume_court: We investigate by means of molecular dynamics simulation a coarse-grained polymer glass model focusi .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.97.012502
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titre: Long-range stress correlations in viscoelastic and glass-forming fluids
auteur: Alexander Semenov, L. Klochko, J. Baschnagel, J. Wittmer
article: Soft Matter, 2018, 14 (33), pp.6835-6848. ⟨10.1039/C8SM01055B⟩
Resume_court: A simple and rigorous approach to obtain stress correlations in viscoelastic liquids (including supe .....
typdoc: Journal articles
DOI: DOI : 10.1039/C8SM01055B
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2017

Journal articles

titre: Shear Modulus and Shear-Stress Fluctuations in Polymer Glasses
auteur: I. Kriuchevskyi, J.P. Wittmer, H. Meyer, J. Baschnagel
article: Physical Review Letters, 2017, 119 (14), pp.147802. ⟨10.1103/PhysRevLett.119.147802⟩
Resume_court: Using molecular dynamics simulation of a standard coarse-grained polymer glass model, we investigate .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevLett.119.147802
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titre: Shear Modulus and Shear-Stress Fluctuations in Polymer Glasses
auteur: I. Kriuchevskyi, J. p. Wittmer, H. Meyer, J. Baschnagel
article: Physical Review Letters, 2017, 119 (14), pp.147802. ⟨10.1103/PhysRevLett.119.147802⟩
Resume_court: Using molecular dynamics simulation of a standard coarse-grained polymer glass model we investigate .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevLett.119.147802
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titre: A novel interferometric method for the study of the viscoelastic properties of ultra-thin polymer films determined from nanobubble inflation
auteur: Pierre Chapuis, Freddy Anstotz, Audrey Leong-Hoï, Christian Gauthier, Jörg Baschnagel, Günter Reiter, Gregory B. Mckenna, Anne Rubin, Paul C. Montgomery
article: Review of Scientific Instruments, 2017, 88 (9), pp.093901. ⟨10.1063/1.5000948⟩
typdoc: Journal articles
DOI: DOI : 10.1063/1.5000948
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titre: Numerical determination of shear stress relaxation modulus of polymer glasses
auteur: Ivan Kriuchevskyi, Joachim Wittmer, Olivier Benzerara, Hendrik Meyer, Jörg Baschnagel
article: European Physical Journal E: Soft matter and biological physics, 2017, 40 (4), ⟨10.1140/epje/i2017-11535-3⟩
Resume_court: Focusing on simulated polymer glasses well below the glass transition, we confirm the validity and t .....
typdoc: Journal articles
DOI: DOI : 10.1140/epje/i2017-11535-3
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titre: Marginally compact hyperbranched polymer trees
auteur: M. Dolgushev, J. Wittmer, A. Johner, O. Benzerara, H. Meyer, J. Baschnagel
article: Soft Matter, 2017, 13 (13), pp.2499-2512. ⟨10.1039/C7SM00243B⟩
typdoc: Journal articles
DOI: DOI : 10.1039/C7SM00243B
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titre: Molecular dynamics simulation of the capillary leveling of viscoelastic polymer films
auteur: I. Tanis, H. Meyer, Thomas Salez, E. Raphael, A. C. Maggs, J. Baschnagel
article: The Journal of Chemical Physics, 2017, 146 (20), ⟨10.1063/1.4978938⟩
Resume_court: no abstract
typdoc: Journal articles
DOI: DOI : 10.1063/1.4978938
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2016

Journal articles

titre: Simple average expression for shear-stress relaxation modulus
auteur: J. P. Wittmer, H. Xu, J. Baschnagel
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2016, 93 (1), pp.012103. ⟨10.1103/PhysRevE.93.012103⟩
Resume_court: Focusing on isotropic elastic networks we propose a simple-average expression G(t) = mu(A) - h(t) fo .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.93.012103
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Conference papers

titre: Optical nanoscopy characterization of nanofilms
auteur: Paul Montgomery, Pierre Chapuis, Audrey Leong-Hoï, Freddy Anstotz, Anne Rubin, Jörg Baschnagel, Christian Gauthier, G. Reiter, Gb Mckenna
article: INERA Workshop 2016: Membrane and Liquid Crystal Nanostructures (MELINA 2016) 3–6 September 2016, Varna, Bulgaria, Sep 2016, Varna, Bulgaria. pp.012003, ⟨10.1088/1742-6596/780/1/012003⟩
Resume_court: Glass formation and glassy behavior remains an important field of study in condensed matter physics, .....
typdoc: Conference papers
DOI: DOI : 10.1088/1742-6596/780/1/012003
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2015

Journal articles

titre: Shear-strain and shear-stress fluctuations in generalized Gaussian ensemble simulations of isotropic elastic networks
auteur: Joachim Paul Wittmer, Ivan Kriuchevskyi, Joerg Baschnagel, Hong Xu
article: The European Physical Journal B: Condensed Matter and Complex Systems, 2015, 88 (9), pp.242. ⟨10.1140/epjb/e2015-60506-6⟩
Resume_court: Shear-strain and shear-stress correlations in isotropic elastic bodies are investigated both theoret .....
typdoc: Journal articles
DOI: DOI : 10.1140/epjb/e2015-60506-6
Accès au bibtex

titre: Fluctuation-dissipation relation between shear stress relaxation modulus and shear stress autocorrelation function revisited
auteur: J. P. Wittmer, H. Xu, O. Benzerara, J. Baschnagel
article: Molecular Physics, 2015, 113 (17-18, SI), pp.2881-2893. ⟨10.1080/00268976.2015.1023225⟩
Resume_court: The shear stress relaxation modulus G(t) may be determined from the shear stress (tau) over cap (t) .....
typdoc: Journal articles
DOI: DOI : 10.1080/00268976.2015.1023225
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titre: Shear-stress relaxation and ensemble transformation of shear-stress autocorrelation functions
auteur: J. P. Wittmer, Hong Xu, J. Baschnagel
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2015, 91 (2), pp.022107. ⟨10.1103/PhysRevE.91.022107⟩
Resume_court: We revisit the relation between the shear-stress relaxation modulus G(t), computed at finite shear s .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.91.022107
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2014

Journal articles

titre: Two-dimensional polymeric liquids and polymer stars: learning from conflicting theories
auteur: Albert Johner, Fabrice Thalmann, Jörg Baschnagel, Hendrik Meyer, Sergei Obukhov, Joachim Wittmer
article: Journal of Statistical Mechanics: Theory and Experiment, 2014, 2014 (4), pp.P04024. ⟨10.1088/1742-5468/2014/04/P04024⟩
Resume_court: We discuss systems for which two carefully derived, yet conflicting, theories coexisted. Dense polym .....
typdoc: Journal articles
DOI: DOI : 10.1088/1742-5468/2014/04/P04024
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2013

Journal articles

titre: Compressibility and pressure correlations in isotropic solids and fluids
auteur: J. P. Wittmer, H. Xu, P. Polinska, C. Gillig, J. Helfferich, F. Weysser, J. Baschnagel
article: European Physical Journal E: Soft matter and biological physics, 2013, 36 (11), pp.1-17. ⟨10.1140/epje/i2013-13131-y⟩
Resume_court: Presenting simple coarse-grained models of isotropic solids and fluids in d = 1 , 2 and 3 dimensions .....
typdoc: Journal articles
DOI: DOI : 10.1140/epje/i2013-13131-y
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titre: Strictly two-dimensional self-avoiding walks: Density crossover scaling
auteur: N. Schulmann, H. Meyer, T. Kreer, A. Cavallo, A. Johner, J. Baschnagel, J. Wittmer
article: Polymer Science, Series C, Selected Topics / Vysokomolekulyarnye Soedineniya, Ser. C., 2013, 55 (1), pp.181-211. ⟨10.1134/S1811238213070072⟩
typdoc: Journal articles
DOI: DOI : 10.1134/S1811238213070072
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titre: Communication: Pressure fluctuations in isotropic solids and fluids
auteur: J. P. Wittmer, H. Xu, P. Polinska, F. Weysser, J. Baschnagel
article: The Journal of Chemical Physics, 2013, 138 (19), ⟨10.1063/1.4807305⟩
Resume_court: Comparing isotropic solids and fluids at either imposed volume or pressure, we investigate various c .....
typdoc: Journal articles
DOI: DOI : 10.1063/1.4807305
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titre: Shear modulus of simulated glass-forming model systems: Effects of boundary condition, temperature, and sampling time
auteur: J. P. Wittmer, H. Xu, P. Polinska, F. Weysser, J. Baschnagel
article: The Journal of Chemical Physics, 2013, 138 (12), pp. 12A533. ⟨10.1063/1.4790137⟩
Resume_court: The shear modulus G of two glass-forming colloidal model systems in d = 3 and d = 2 dimensions is in .....
typdoc: Journal articles
DOI: DOI : 10.1063/1.4790137
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2012

Journal articles

titre: Strictly two-dimensional self-avoiding walks: Thermodynamic properties revisited
auteur: N. Schulmann, H. Xu, H. Meyer, P. Polińska, J. Baschnagel, P. Wittmer
article: European Physical Journal E: Soft matter and biological physics, 2012, 35 (9), ⟨10.1140/epje/i2012-12093-x⟩
typdoc: Journal articles
DOI: DOI : 10.1140/epje/i2012-12093-x
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titre: Mechanical behavior of linear amorphous polymers: Comparison between molecular dynamics and finite-element simulations
auteur: Mathieu Solar, Hendrik Meyer, Christian Gauthier, Christophe Fond, Olivier Benzerara, Robert Schirrer, Jörg Baschnagel
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2012, 85, ⟨10.1103/PhysRevE.85.021808⟩
Resume_court: This paper studies the rheology of weakly entangled polymer melts and films in the glassy domain and .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.85.021808
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titre: Interchain Monomer Contact Probability in Two-Dimensional Polymer Solutions
auteur: N. Schulmann, H. Meyer, J. Wittmer, A. Johner, J. Baschnagel
article: Macromolecules, 2012, 45 (3), pp.1646-1651. ⟨10.1021/ma300085a⟩
typdoc: Journal articles
DOI: DOI : 10.1021/ma300085a
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2011

Journal articles

titre: Note: Scale-free center-of-mass displacement correlations in polymer films without topological constraints and momentum conservation
auteur: J. Wittmer, N. Schulmann, P. Polińska, J. Baschnagel
article: The Journal of Chemical Physics, 2011, 135 (18), pp.186101. ⟨10.1063/1.3662132⟩
typdoc: Journal articles
DOI: DOI : 10.1063/1.3662132
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titre: Scale-Free Static and Dynamical Correlations in Melts of Monodisperse and Flory-Distributed Homopolymers
auteur: J. Wittmer, A. Cavallo, H. Xu, J. Zabel, P. Polińska, N. Schulmann, H. Meyer, J. Farago, A. Johner, P. Obukhov, J. Baschnagel
article: Journal of Statistical Physics, 2011, 145 (4), pp.1017-1126. ⟨10.1007/s10955-011-0354-0⟩
typdoc: Journal articles
DOI: DOI : 10.1007/s10955-011-0354-0
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titre: Molecular dynamics simulations of the scratch test on linear amorphous polymer surfaces: A study of the local friction coefficient
auteur: Mathieu Solar, Christian Gauthier, Jörg Baschnagel, H. Meyer, O. Benzerara, R. Schirrer
article: Wear, 2011, 271 (11-12), pp.2751-2758. ⟨10.1016/j.wear.2011.05.026⟩
Resume_court: This work presents a mechanical analysis of tangential contact using molecular dynamics simulations. .....
typdoc: Journal articles
DOI: DOI : 10.1016/j.wear.2011.05.026
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2010

Journal articles

titre: Molecular dynamics simulations as a way to investigate the local physics of contact mechanics: a comparison between experimental data and numerical results
auteur: M Solar, H Meyer, C Gauthier, O Benzerara, H Pelletier, R Schirrer, J Baschnagel
article: Journal of Physics D: Applied Physics, 2010, 43 (45), pp.455406. ⟨10.1088/0022-3727/43/45/455406⟩
Resume_court: In this work, a mechanical analysis of normal contact using molecular dynamics (MD) simulations is p .....
typdoc: Journal articles
DOI: DOI : 10.1088/0022-3727/43/45/455406
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titre: Molecular dynamics simulations of the chain dynamics in monodisperse oligomer melts and of the oligomer tracer diffusion in an entangled polymer matrix
auteur: M. Durand, H. Meyer, O. Benzerara, J. Baschnagel, Olivier Vitrac
article: The Journal of Chemical Physics, 2010, 132 (19), pp.194902. ⟨10.1063/1.3420646⟩
Resume_court: The apparent analogy between the self-diffusion of linear oligomers in monodisperse systems, 2 up to .....
typdoc: Journal articles
DOI: DOI : 10.1063/1.3420646
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2009

Journal articles

titre: Molecular dynamics simulations of glassy polymers
auteur: Jean-Louis Barrat, Joerg Baschnagel, Alexei Lyulin
article: Soft Matter, 2009, 6, pp.3430. ⟨10.1039/b927044b⟩
Resume_court: We review recent results from computer simulation studies of polymer glasses, from chain dynamics ar .....
typdoc: Journal articles
DOI: DOI : 10.1039/b927044b
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titre: Molecular dynamics simulations of concentrated polymer solutions in thin film geometry. II. Solvent evaporation near the glass transition
auteur: S. Peter, H. Meyer, J. Baschnagel
article: The Journal of Chemical Physics, 2009, 131 (1), pp.10
typdoc: Journal articles
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titre: A finite excluded volume bond-fluctuation model : Static properties of dense polymer melts revisited
auteur: J.P. Wittmer, A. Cavallo, T. Kreer, J. Baschnagel, A. Johner
article: The Journal of Chemical Physics, 2009, 131 (6), pp.16. ⟨10.1063/1.3197008⟩
Resume_court: The classical bond-fluctuation model (BFM) is an efficient lattice Monte Carlo algorithm for coarse- .....
typdoc: Journal articles
DOI: DOI : 10.1063/1.3197008
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titre: Molecular dynamics simulations of concentrated polymer solutions in thin film geometry. I. Equilibrium properties near the glass transition
auteur: S. Peter, H. Meyer, J. Baschnagel
article: The Journal of Chemical Physics, 2009, 131 (1), pp.7
typdoc: Journal articles
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titre: Perimeter length and form factor in two-dimensional polymer melts
auteur: H. Meyer, T.T. Kreer, M. Aichele, A. Cavallo, A. Johner, J. Baschnagel, J.P. Wittmer
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2009, 79 (5), pp.050802(R). ⟨10.1103/PhysRevE.79.050802⟩
Resume_court: Self-avoiding polymers in two-dimensional ͑d =2͒ melts are known to adopt compact configurations o .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.79.050802
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titre: Perimeter length and form factor in two-dimensional polymer melts
auteur: H. Meyer, T. Kreer, M. Aichele, A. Cavallo, A. Johner, J. Baschnagel, J.P. Wittmer
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2009, 79 (5), pp.050802
typdoc: Journal articles
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titre: MD simulation of concentrated polymer solutions : Structural relaxation near the glass transition
auteur: S. Peter, H. Meyer, J. Baschnagel
article: European Physical Journal E: Soft matter and biological physics, 2009, 28 (2), pp.147-158
typdoc: Journal articles
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Conference papers

titre: Les simulations de dynamique moléculaire comme outil pour une meilleure compréhension de la physique locale du contact
auteur: Mathieu Solar, Christian Gauthier, Hendrik Meyer, Olivier Benzerara, Hervé Pelletier, Christophe Fond, Jörg Baschnagel, Robert Schirrer
article: 9e Colloque national en calcul des structures, CSMA, May 2009, Giens, France
Resume_court: Les simulations de dynamique moléculaire se révèlent intéressantes dans l'étude de la physique .....
typdoc: Conference papers
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titre: A first mechanical analysis of the contact mechanics of amorphous polymer surfaces using molecular dynamic simulations
auteur: Mathieu Solar, Christian Gauthier, H. Meyer, Christophe Fond, O. Benzerara, Herve Pelletier, R. Schirrer, Jörg Baschnagel
article: DYFP 2009, Deformation, Yield and Fracture of Polymer, 06-09 avril 2009, Eindhoven, Pays-Bas, Apr 2009, Eindhoven, Netherlands
typdoc: Conference papers
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2008

Journal articles

titre: Modeling Dielectric Relaxation in Polymer Glass Simulations: Dynamics in the Bulk and in Supported Polymer Films
auteur: S. Peter, S. Napolitano, H. Meyer, M. Wubbenhorst, J. Baschnagel
article: Macromolecules, 2008, 41 (20), pp.7729-7743
typdoc: Journal articles
Accès au bibtex

2007

Journal articles

titre: On the dynamics and disentanglement in thin and two-dimensional polymer films.
auteur: H. Meyer, T. Kreer, A. Cavallo, J. P. Wittmer, J. Baschnagel
article: The European Physical Journal. Special Topics, 2007, 141, pp.167-172
typdoc: Journal articles
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titre: Structural and conformational dynamics of supercooled polymer melts: Insights from first-principles theory and simulations.
auteur: S. H.Chong, M. Aichele, H. Meyer, M. Fuchs, J. Baschnagel
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 76 (5), pp.051806
typdoc: Journal articles
Accès au bibtex

titre: Intramolecular Form Factor in Dense Polymer Systems: Systematic Deviations from the Debye formula
auteur: Joachim Wittmer, Philippe Beckrich, Albert Johner, Alexander N. Semenov, Sergei P. Obukhov, Hendrik Meyer, Joerg Baschnagel
article: EPL - Europhysics Letters, 2007, 77, pp.56003
Resume_court: We discuss theoretically and numerically the intramolecular form factor $F(q)$ in dense polymer syst .....
typdoc: Journal articles
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titre: Slow dynamics and glass transition in simulated free-standing polymer films: a possible relation between global and local glass transition temperatures,
auteur: S. Peter, H. Meyer, J. Baschnagel, R. Seemann
article: Journal of Physics: Condensed Matter, 2007, 19, 205119 (11pp)
typdoc: Journal articles
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titre: Why polymer chains in a melt are not random walks.
auteur: J.P. Wittmer, P. Beckrich, A. Johner, A.N. Semenov, S. Obukhov, H. Meyer, J. Baschnagel
article: EPL - Europhysics Letters, 2007, 77 (5), pp.56003
typdoc: Journal articles
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titre: Soft Particle Model for Block Copolymers
auteur: F. Eurich, A. Karatchentsev, J. Baschnagel, W. Dieterich, P. Maass
article: The Journal of Chemical Physics, 2007, 127 (13), pp.134905
typdoc: Journal articles
Accès au bibtex

titre: Bond formation and slow heterogeneous dynamics in adhesive spheres with long-ranged repulsion: Quantitative test of mode coupling theory
auteur: O. Henrich, A. M. Puertas, M. Sperl, J. Baschnagel, M. Fuchs
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 76 (3), pp.031404. ⟨10.1103/PhysRevE.76.031404⟩
Resume_court: A colloidal system of spheres interacting with both a deep and narrow attractive potential and a sha .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.76.031404
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titre: Intramolecular long-range correlations in polymer melts: The segmental size distribution and its moments.
auteur: J. P. Wittmer, H. Meyer, P. Beckrich, A. Cavallo, A. Johner, J. Baschnagel
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 76, pp.011803
typdoc: Journal articles
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titre: Structural Properties of Crystallizable Polymer Melts: Intrachain and Interchain Correlation Functions,
auteur: T. Vettorel, H. Meyer, J. Baschnagel, M. Fuchs
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 75 (4), 041801 (14pp)
typdoc: Journal articles
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titre: Intramolecular long-range correlations in polymer melts: The segmental size distribution and its moments
auteur: Joachim Wittmer, Philippe Beckrich, Hendrik Meyer, Anna Cavallo, Albert Johner, Joerg Baschnagel
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2007, 76, pp.011803
Resume_court: Presenting theoretical arguments and numerical results we demonstrate long-range intrachain correlat .....
typdoc: Journal articles
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Preprints, Working Papers, ...

titre: Static Rouse Modes and Related Quantities: Corrections to Chain Ideality in Polymer Melts
auteur: H. Meyer, J. P. Wittmer, T. Kreer, P. Beckrich, A. Johner, J. Farago, J. Baschnagel
article: 2007
Resume_court: Following the Flory ideality hypothesis intrachain and interchain excluded volume interactions are s .....
typdoc: Preprints, Working Papers, ...
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2006

Preprints, Working Papers, ...

titre: On the Dynamics and Disentanglement in Thin and Two-Dimensional Polymer Films
auteur: H. Meyer, T. Kreer, A. Cavallo, J. P. Wittmer, J. Baschnagel
article: 2006
Resume_court: We present results from molecular dynamics simulations of strictly two-dimensional (2D) polymer melt .....
typdoc: Preprints, Working Papers, ...
Accès au bibtex

2005

Journal articles

titre: Simulation numérique en physique des polymères: modélisation mésoscopique des fondus de polymères
auteur: Joachim Wittmer, Joerg Baschnagel, Thomas Vettorel, Hendrik Meyer
article: Bulletin du GFP, 2005, 100, pp.21-24
Resume_court: Dans cet article nous essayons de donner une brève introduction à la construction de modèles pour .....
typdoc: Journal articles
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2004

Journal articles

titre: Static Properties of a Simulated Supercooled Polymer Melt: Structure Factors, Monomer Distributions Relative to the Center of Mass, and Triple Correlation Functions
auteur: Martin Aichele, Song-Ho Chong, Jörg Baschnagel, Matthias Fuchs
article: Physical Review E : Statistical, Nonlinear, and Soft Matter Physics, 2004, 69 (6), pp.061801. ⟨10.1103/PhysRevE.69.061801⟩
Resume_court: We analyze structural and conformational properties in a simulated bead-spring model of a non-entang .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.69.061801
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titre: Long Range Bond-Bond Correlations in Dense Polymer Solutions
auteur: Joachim Wittmer, Hendrik Meyer, Joerg Baschnagel, Albert Johner, Sergei P. Obukhov, Laetitia Mattioni, Marcus Mueller, Alexander N. Semenov
article: Physical Review Letters, 2004, 93 (14), pp.147801. ⟨10.1103/PhysRevLett.93.147801⟩
Resume_court: The scaling of the bond-bond correlation function $C(s)$ along linear polymer chains is investigated .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevLett.93.147801
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Preprints, Working Papers, ...

titre: Monte Carlo SImulation of Polymers: Coarse-Grained Models
auteur: J. Baschnagel, J. P. Wittmer, H. Meyer
article: 2004
Resume_court: A coarse-grained simulation model eliminates microscopic degrees of freedom and represents a polymer .....
typdoc: Preprints, Working Papers, ...
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2003

Journal articles

titre: Confinement effects on the slow dynamics of a supercooled polymer melt: Rouse modes and the incoherent scattering function.
auteur: F. Varnik, J. Baschnagel, K. Binder, M. Mareschal
article: European Physical Journal E: Soft matter and biological physics, 2003, 12, pp.167-171
typdoc: Journal articles
Accès au bibtex

titre: Structure formation of supercooled polymers in confined geometries - A molecular-dynamics simulation study.
auteur: H. Meyer, J. Baschnagel
article: European Physical Journal E: Soft matter and biological physics, 2003, 12, pp.147-151
typdoc: Journal articles
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titre: Glass transition of polymer melts: Test of theoretical concepts by computer simulation.
auteur: K. Binder, J. Baschnagel, W. Paul
article: Progress in Polymer Science, 2003, 28, pp.115-172
typdoc: Journal articles
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titre: Surface excess in dilute polymer solutions and the adsorption transition versus wetting phenomena.
auteur: S. Metzger, M. Muller, K. Binder, J. Baschnagel
article: The Journal of Chemical Physics, 2003, 118, pp.8489-8499
typdoc: Journal articles
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titre: Dynamical properties of the slithering-snake algorithm: A numerical test of the activated-reptation hypothesis.
auteur: L. Mattioni, J.P. Wittmer, J. Baschnagel, J.L. Barrat, E. Luijten
article: European Physical Journal E: Soft matter and biological physics, 2003, 10, pp.369-385
typdoc: Journal articles
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titre: Polymer-specific effects of bulk relaxation and stringlike correlated motion in the dynamics of a supercooled polymer melt.
auteur: M. Aichele, Y. Gebre-Michael, F.W. Starr, J. Baschnagel, S.C. Glotzer
article: The Journal of Chemical Physics, 2003, 119, pp.5290-5304
typdoc: Journal articles
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titre: Computer simulations of polymers close to solid interfaces: some selected topics
auteur: J. Baschnagel, H. Meyer, F. Varnik, S. Metzger, M. Aichele, M. Müller, K. Binder
article: Interface Sci., 2003, 11, pp.159-173
typdoc: Journal articles
Accès au bibtex

2000

Journal articles

titre: Molecular Dynamics Results on the Pressure Tensor of Polymer Films
auteur: F. Varnik, J. Baschnagel, K. Binder
article: The Journal of Chemical Physics, 2000, 113, pp.4444
Resume_court: Polymeric thin films of various thicknesses, confined between two repulsive walls, have been studied .....
typdoc: Journal articles
Accès au bibtex

1998

Journal articles

titre: Adsorption kinetics of a bidisperse polymer solution
auteur: J. Baschnagel, A. Johner, J.-F. Joanny
article: The European Physical Journal B - Condensed Matter and Complex Systems, 1998, 6 (1), pp.45-55. ⟨10.1007/s100510050525⟩
Resume_court: We consider the competitive adsorption of a bidisperse polymer solution of long and short chains ont .....
typdoc: Journal articles
DOI: DOI : 10.1007/s100510050525
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1997

Journal articles

titre: Adsorption of a bidisperse polymer mixture onto a flat wall
auteur: Jörg Baschnagel, Albert Johner, J.-F. Joanny
article: Physical Review E , 1997, 55 (3), pp.3072-3086. ⟨10.1103/PhysRevE.55.3072⟩
Resume_court: This paper studies the thermodynamic properties of the competitive adsorption between two polymer sp .....
typdoc: Journal articles
DOI: DOI : 10.1103/PhysRevE.55.3072
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