Nonequilibrium molecular dynamics for bulk materials and nanostructures

DOI10.1016/j.jmps.2009.10.008zbMath1193.82038OpenAlexW2086251603WikidataQ59924602 ScholiaQ59924602MaRDI QIDQ988998

Richard D. James, Kaushik Dayal

Publication date: 27 August 2010

Published in: Journal of the Mechanics and Physics of Solids (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jmps.2009.10.008

zbMATH Keywords

dynamic fracturemolecular dynamicsrheologycarbon nanotubesobjective structures

Mathematics Subject Classification ID

Related Items (16)

Design of viscometers corresponding to a universal molecular simulation method ⋮ A proposal for defining continuous distribution of dislocations for objective structures ⋮ A critical review on molecular dynamics applied to structure fracture and failure analysis ⋮ A constitutive relation generalizing the Navier–Stokes theory to high-rate regimes ⋮ Zig-zag twins and helical phase transformations ⋮ Objective molecular dynamics for atomistic simulation of macroscopic fluid motion ⋮ Long time asymptotics for homoenergetic solutions of the Boltzmann equation. Hyperbolic-dominated case ⋮ Homoenergetic solutions of the Boltzmann equation: the case of simple-shear deformations ⋮ Self-similar profiles for homoenergetic solutions of the Boltzmann equation: particle velocity distribution and entropy ⋮ Surfactant stabilized bubbles flowing in a Newtonian fluid ⋮ Rescaled Objective Solutions of Fokker--Planck and Boltzmann equations ⋮ Continuum mechanics of line defects in liquid crystals and liquid crystal elastomers ⋮ Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch ⋮ Long-time asymptotics for homoenergetic solutions of the Boltzmann equation: collision-dominated case ⋮ Self-similar profiles for homoenergetic solutions of the Boltzmann equation for non-cutoff Maxwell molecules ⋮ Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures

Cites Work

• Rippling and a phase-transforming mesoscopic model for multiwalled carbon nanotubes
• On the Cauchy problem for Boltzmann equations: Global existence and weak stability
• Objective molecular dynamics
• Motions with constant stretch history
• Kinetic theory of gases in shear flows. Nonlinear transport.
• Objective structures
• On the frame dependence of stress and heat flux
• Homogeneous non-equilibrium molecular dynamics simulations of viscous flow: techniques and applications
• Exact solutions of the Boltzmann equation
• Viscometric Flows of Non-Newtonian Fluids
• The Navier-Stokes-alpha model of fluid turbulence
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