Physical Review Letters · 2002 · 128 citations · 18 references
Natural SciencesMaterials EngineeringMaterials ScienceMechanical Behavior Of MaterialsPolymer MaterialsRheologyAmorphous MaterialsMolecular DynamicsPolymer Physical ChemistryPolymer PhysicsPolymer RheologyPolymer SimulationApplied Stress EffectsDeformationMolecular Dynamics Of PolymersMolecular MobilityPlastic Deformation BehaviorPlasticity Of PolymersPolymer Mechanics SimulationYield Point
Molecular dynamics simulation is used to reveal the origin of increased molecular mobility that accompanies plastic deformation of a glassy amorphous polymer under an applied stress. Significant increases in torsional transition rates are observed during active deformation prior to and just beyond the yield point. The transition rate drops when active deformation ceases. Increased transition rates are not contingent upon dilation. These simulations verify recent experimental observations of increased mobility during active deformation.
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Equation of State Calculations by Fast Computing Machines
N. Metropolis, Arianna W. Rosenbluth, M. N. Rosenbluth et al. · The Journal of Chemical Physics · 1953 · 37.1K citations
Molecular dynamics with coupling to an external bath
Herman J. C. Berendsen, Johan P. M. Postma, Wilfred F. van Gunsteren et al. · The Journal of Chemical Physics · 1984 · 31K citations · Full text
Natural Sciences, Chemistry, Physics +17