Müller, Marcus

[["dc.bibliographiccitation.firstpage","10491"],["dc.bibliographiccitation.issue","22"],["dc.bibliographiccitation.journal","Physical Chemistry Chemical Physics"],["dc.bibliographiccitation.lastpage","10502"],["dc.bibliographiccitation.volume","13"],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","Steinmueller, Birger"],["dc.contributor.author","Daoulas, Kostas Ch."],["dc.contributor.author","Ramirez-Hernandez, Abelardo"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T09:01:53Z"],["dc.date.available","2018-11-07T09:01:53Z"],["dc.date.issued","2011"],["dc.description.abstract","The ability of soft, coarse-grained models to describe the narrow interface of a nearly incompressible polymer melt in contact with a solid is explored by numerical self-consistent field calculations and Monte-Carlo simulations. We investigate the effect of the discreteness of the bead-spring architecture by quantitatively comparing the results of a bead-spring model with different number of beads, N, but identical end-to-end distance, R(e), and a continuous Gaussian-thread model. If the width, xi, of the narrow polymer-solid contact is smaller or comparable to the length of a statistical segment, b = R(e)/root N-1, strong differences in the interface tension and the density profiles between the two models are observed, and strategies for compensating the discrete nature of the bead-spring model are investigated. Compensating the discretization of the chain contour in the bead-spring model by applying an external segment-solid potential, we simultaneously adjust the interface tension and the density profile to the predictions of the Gaussian-thread model. We suggest that the geometry of the polymer-solid contact and the interface tension are relevant characteristics that a coarse-grained model of polymer-solid contacts must reproduce in order to establish a quantitative relationship to an experimental system."],["dc.description.sponsorship","DFG [Mu1674/9, SPP 1369]"],["dc.identifier.doi","10.1039/c0cp02868a"],["dc.identifier.isi","000290994900012"],["dc.identifier.pmid","21431143"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10267"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/24541"],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1463-9076"],["dc.rights","Goescholar"],["dc.rights.uri","https://goescholar.uni-goettingen.de/licenses"],["dc.title","Polymer-solid contacts described by soft, coarse-grained models"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","2030"],["dc.bibliographiccitation.issue","6"],["dc.bibliographiccitation.journal","Soft Matter"],["dc.bibliographiccitation.lastpage","2036"],["dc.bibliographiccitation.volume","9"],["dc.contributor.author","Ramirez-Hernandez, Abelardo"],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T09:30:40Z"],["dc.date.available","2018-11-07T09:30:40Z"],["dc.date.issued","2013"],["dc.description.abstract","In recent years, there has been a resurgence in developing models and theories for the non-equilibrium behavior of polymeric liquids. The so-called \"tube\" models, gradually refined over decades of research, can now provide a description of the linear and non-linear rheology of entangled polymers that is qualitatively consistent with experiments. Such approaches, however, have been limited to homopolymers. Here we present a general formalism that relies on the concept of slip links to describe the dynamics of high polymers. In this work, it is shown to be capable of describing quantitatively the linear response of pure homopolymers and blends, the non-linear rheology of highly entangled systems, and the dynamics of diblock copolymers."],["dc.identifier.doi","10.1039/c2sm26674a"],["dc.identifier.fs","592374"],["dc.identifier.isi","000313594200035"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10811"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/31362"],["dc.notes","This publication is with permission of the rights owner freely accessible due to an Alliance licence and a national licence (funded by the DFG, German Research Foundation) respectively."],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Royal Soc Chemistry"],["dc.relation.issn","1744-6848"],["dc.relation.issn","1744-683X"],["dc.relation.orgunit","Fakultät für Physik"],["dc.title","Theoretically informed entangled polymer simulations: linear and non-linear rheology of melts"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]

[["dc.bibliographiccitation.firstpage","8109"],["dc.bibliographiccitation.issue","19"],["dc.bibliographiccitation.journal","Macromolecules"],["dc.bibliographiccitation.lastpage","8116"],["dc.bibliographiccitation.volume","45"],["dc.contributor.author","Peters, Brandon L."],["dc.contributor.author","Ramirez-Hernandez, Abelardo"],["dc.contributor.author","Pike, Darin Q."],["dc.contributor.author","Mueller, Marcus"],["dc.contributor.author","de Pablo, Juan J."],["dc.date.accessioned","2018-11-07T09:04:41Z"],["dc.date.available","2018-11-07T09:04:41Z"],["dc.date.issued","2012"],["dc.description.abstract","Nonequilibrium simulations of lamellae-forming block copolymers are investigated by means of theoretically informed coarse-grained Brownian dynamics simulations and dissipative particle dynamics. Three lamellar orientations are subjected to steady shear, which differ in the direction of the microstructure with respect to the shear plane. The stable orientations are identified as a function of shear rate. It is found that for Brownian dynamics simulations the transition from parallel to perpendicular does not occur; however, by including local conservation of momentum, the lamellae exhibit this transition. The velocity profiles, stresses, and angles of the blocks in the system were analyzed to yield insights into why parallel orientations are less stable at higher shear rates."],["dc.identifier.doi","10.1021/ma301541f"],["dc.identifier.fs","590051"],["dc.identifier.isi","000309505500050"],["dc.identifier.purl","https://resolver.sub.uni-goettingen.de/purl?gs-1/10515"],["dc.identifier.uri","https://resolver.sub.uni-goettingen.de/purl?gro-2/25165"],["dc.notes","DFG SFB 937/A5 financial support"],["dc.notes","Adapted with permission from Macromolecules/American Chemical Society. Copyright 2012 American Chemical Society."],["dc.notes.intern","Merged from goescholar"],["dc.notes.status","zu prüfen"],["dc.notes.submitter","Najko"],["dc.publisher","Amer Chemical Soc"],["dc.relation.issn","0024-9297"],["dc.relation.orgunit","Fakultät für Physik"],["dc.title","Nonequilibrium Simulations of Lamellae Forming Block Copolymers under Steady Shear: A Comparison of Dissipative Particle Dynamics and Brownian Dynamics"],["dc.type","journal_article"],["dc.type.internalPublication","yes"],["dc.type.peerReviewed","yes"],["dc.type.status","published"],["dc.type.version","published_version"],["dspace.entity.type","Publication"]]