Molecular dynamics for polymeric fluids using discontinuous potentials

DOI10.1006/JCPH.1996.5510zbMATH Open0882.76009OpenAlexW2016881055MaRDI QIDQ1360435FDOQ1360435

Authors: Steven W. Smith, Carol K. Hall, Benny D. Freeman 

Publication date: 17 July 1997

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1996.5510

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zbMATH Keywords

optimizationentangled chainsheteronuclear chain mixturesmultiple-event schedulingsingle-event schedulingtethered chains

Mathematics Subject Classification ID

Non-Newtonian fluids (76A05) Statistical mechanics of polymers (82D60)

Cites Work

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Cited In (13)

• Variational methods for constrained polymer dynamics
• A multiple-heaps algorithm for parallel simulation of collision systems
• Stochastic and dynamic properties of molecular dynamics systems: Simple liquids, plasma and electrolytes, polymers
• Molecular approach in linear polymer dynamics: Theory and numerical experiment
• Spontaneous formation of annular structures observed in molecular dynamics simulations of polyglutamine peptides
• Molecular Dynamics Approach to Relaxation and Aggregation of Polymer Chains
• A GENERALIZED CELL METHOD FOR HARD DISK MOLECULAR DYNAMICS SIMULATION OF POLYDISPERSE SYSTEMS
• Extension of dynamics of polymeric liquids methodology to new areas
• Event-driven molecular dynamics in parallel.
• Time integrators based on approximate discontinuous Hamiltonians
• Molecular dynamics simulation based size and rate dependent constitutive model of polystyrene thin films
• Stochastic event-driven molecular dynamics
• Direct simulations of aggregates in homogeneous isotropic turbulence

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