Schneider, Ludwig

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[["dc.bibliographiccitation.artnumber","014903"],["dc.bibliographiccitation.issue","1"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","146"],["dc.contributor.author","Ramirez-Hernandez, Abelardo"],["dc.contributor.author","Peters, Brandon L."],["dc.contributor.author","Schneider, Ludwig"],["dc.contributor.author","Andreev, Marat"],["dc.contributor.author","Schieber, Jay D."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T10:28:28Z"],["dc.date.available","2018-11-07T10:28:28Z"],["dc.date.issued","2017"],["dc.description.abstract","Coarse grained simulation approaches provide powerful tools for the prediction of the equilibrium properties of polymeric systems. Recent efforts have sought to develop coarse-graining strategies capable of predicting the non-equilibrium behavior of entangled polymeric materials. Slip-link and slip-spring models, in particular, have been shown to be capable of reproducing several key aspects of the linear response and rheology of polymer melts. In this work, we extend a previously proposed multi-chain slip-spring model in a way that correctly incorporates the effects of the fluctuating environment in which polymer segments are immersed. The model is used to obtain the equation of state associated with the slip-springs, and the results are compared to those of related numerical approaches and an approximate analytical expression. The model is also used to examine a polymer melt confined into a thin film, where an inhomogeneous distribution of polymer segments is observed, and the corresponding inhomogeneities associated with density fluctuations are reflected on the spatial slip-spring distribution."],["dc.identifier.doi","10.1063/1.4972582"],["dc.identifier.isi","000393431000033"],["dc.identifier.pmid","28063448"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/43425"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","PUB_WoS_Import"],["dc.publisher","Amer Inst Physics"],["dc.relation.issn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.title","A multi-chain polymer slip-spring model with fluctuating number of entanglements: Density fluctuations, confinement, and phase separation"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.artnumber","109107"],["dc.bibliographiccitation.journal","Computational Materials Science"],["dc.bibliographiccitation.volume","169"],["dc.contributor.author","Schneider, Ludwig"],["dc.contributor.author","Müller, Marcus"],["dc.date.accessioned","2019-10-15T13:30:33Z"],["dc.date.available","2019-10-15T13:30:33Z"],["dc.date.issued","2019"],["dc.description.abstract","Using large-scale simulations with the graphics processing unit (GPU) accelerated Highly Optimized Object-oriented Many-particle Dynamics (HOOMD)-blue software we investigate the anisotropic, dynamic-mechanical properties of lamellae-forming diblock copolymer melts. Both, the shear-stress autocorrelation function in equilibrium as well as stress-controlled simulations of shear flow are considered. The latter are implemented in (HOOMD)-blue via reverse nonequilibrium molecular dynamics simulation (RNEMDS). We find that copolymer lamellae that are perpendicularly oriented to the shear flow have similar rheological properties than unstructured homopolymer melts. Copolymer lamellae with the metastable parallel and the unstable transverse orientation exhibit similar dynamic-mechanical behavior in the linear regime. Most notably, they are characterized by a high dissipation. (RNEMDS) enables the study of oscillatory shear flow as well as the investigation of nonlinear rheology. Our simulation results for a soft, coarse-grained model at very high frequencies indicate that the finite speed of stress propagation has to be accounted for in the quantitative analysis, and we devise an analytic prediction for the nonlinear velocity and spatially varying stress profiles as a function of the loss and storage moduli."],["dc.identifier.doi","10.1016/j.commatsci.2019.109107"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/62491"],["dc.language.iso","en"],["dc.relation.issn","0927-0256"],["dc.title","Rheology of symmetric diblock copolymers"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

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[["dc.bibliographiccitation.artnumber","064501"],["dc.bibliographiccitation.issue","6"],["dc.bibliographiccitation.journal","The Journal of Chemical Physics"],["dc.bibliographiccitation.volume","157"],["dc.contributor.author","Steffen, David"],["dc.contributor.author","Schneider, Ludwig"],["dc.contributor.author","Müller, Marcus"],["dc.contributor.author","Rottler, Jörg"],["dc.date.accessioned","2022-09-01T09:50:21Z"],["dc.date.available","2022-09-01T09:50:21Z"],["dc.date.issued","2022"],["dc.description.abstract","A supercooled fluid close to the glass transition develops nonlocal shear-stress correlations that anticipate the emergence of elasticity. We performed molecular dynamics simulations of a binary Lennard-Jones mixture at different temperatures and investigated the spatiotemporal autocorrelation function of the shear stress for different wavevectors, q, from a locally measured and Fourier-transformed stress tensor. Anisotropic correlations are observed at non-zero wavevectors, exhibiting strongly damped oscillations with a characteristic frequency ω( q). A comparison with a recently developed hydrodynamic theory [Maier et al., Phys. Rev. Lett. 119, 265701 (2017)] shows a remarkably good quantitative agreement between particle-based simulations and theoretical predictions."],["dc.description.sponsorship"," Alexander von Humboldt-Stiftung http://dx.doi.org/10.13039/100005156"],["dc.identifier.doi","10.1063/5.0098265"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/113685"],["dc.language.iso","en"],["dc.notes.intern","DOI-Import GROB-597"],["dc.relation.eissn","1089-7690"],["dc.relation.issn","0021-9606"],["dc.title","Molecular simulations and hydrodynamic theory of nonlocal shear-stress correlations in supercooled fluids"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dspace.entity.type","Publication"]]

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