Search results for "Dynamic Monte Carlo method"

showing 3 items of 83 documents

Monte Carlo simulation of the glass transition in polymer melts: An application of MCT

1995

Abstract This paper reviews the results of a large scale Monte Carlo simulation for the dynamics of a supercooled polymer melt. The dynamics of the melt was studied by means of the time evolution of the incoherent intermediate scattering function φs q(t), which was monitored over seven decades in time. In an intermediate time window it is possible to describe the decay of φs q(t) quantitatively in the framework of mode-coupling theory, provided the extended version of the theory is used.

chemistry.chemical_classificationMaterials scienceScale (ratio)Applied MathematicsMonte Carlo methodTime evolutionGeneral Physics and AstronomyThermodynamicsTransportationStatistical and Nonlinear PhysicsPolymerCondensed Matter::Soft Condensed MatterchemistryTime windowsDynamic Monte Carlo methodStatistical physicsGlass transitionSupercoolingMathematical PhysicsTransport Theory and Statistical Physics
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Recent Developments in Monte Carlo Simulations of Lattice Models for Polymer Systems

2008

A brief review is given of methodological advances made during the past decade with the Monte Carlo sampling of equilibrium properties of simple lattice models of polymer systems, and representative applications of these new algorithms are summarized. These algorithms include Wang−Landau (WL) sampling, the pruned-enriched Rosenbluth method (PERM), and topology violating dynamic Monte Carlo algorithms such as combinations of local moves, slithering snake moves, and “double bridging” moves for the bond fluctuation model. The applications mentioned concern phase-transition-like phenomena of single chains (collapse and crystallization in bad solvents; interplay of collapse and adsorption; escap…

chemistry.chemical_classificationPolymers and PlasticsChemistryOrganic ChemistryMonte Carlo methodBinary numberPolymerCondensed Matter::Soft Condensed MatterInorganic ChemistryIntramolecular forceLattice (order)Materials ChemistryDynamic Monte Carlo methodStatistical physicsPolymer blendBond fluctuation modelMacromolecules
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Stimuli-responsive brushes with active minority components: Monte Carlo study and analytical theory

2015

Using a combination of analytical theory, Monte Carlo simulations, and three dimensional self-consistent field calculations, we study the equilibrium properties and the switching behavior of adsorption-active polymer chains included in a homopolymer brush. The switching transition is driven by a conformational change of a small fraction of minority chains, which are attracted by the substrate. Depending on the strength of the attractive interaction, the minority chains assume one of two states: An exposed state characterized by a stem-crown-like conformation, and an adsorbed state characterized by a flat two-dimensional structure. Comparing the Monte Carlo simulations, which use an Edwards-…

chemistry.chemical_classificationPolymers and PlasticsChemistryOrganic ChemistryMonte Carlo methodBrushFOS: Physical sciencesPolymerFlory–Huggins solution theoryCondensed Matter - Soft Condensed Matterlaw.inventionCondensed Matter::Soft Condensed MatterInorganic Chemistrysymbols.namesakelawThermalExcluded volumeMaterials ChemistrysymbolsDynamic Monte Carlo methodSoft Condensed Matter (cond-mat.soft)Statistical physicsHamiltonian (quantum mechanics)
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