Objective molecular dynamics

DOI10.1016/J.JMPS.2007.03.001MaRDI QIDQ1027095zbMATH OpenOpenAlexFDO

Authors Traian Dumitrică, Richard D. James

Publication date 30 June 2009

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.2007.03.001

zbMATH Keywords

carbon nanotubessymmetry groupatomistic structure

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25)

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Cites work

• scientific article; zbMATH DE number 46777 (Why is no real title available?)
• scientific article; zbMATH DE number 3550243 (Why is no real title available?)
• Objective structures
• On the definitions of effective stress and deformation gradient for use in MD: Hill's macro-homogeneity and the virial theorem
• Thermomechanical continuum representation of atomistic deformation at arbitrary size scales

Cited in

(20)

• Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures
• Discrete-to-continuum limits of long-range electrical interactions in nanostructures
• Rescaled objective solutions of Fokker-Planck and Boltzmann equations
• A constitutive relation generalizing the Navier–Stokes theory to high-rate regimes
• Zig-zag twins and helical phase transformations
• Twinning mechanism and habit lines in monolayer-thick free-standing graphene: theoretical predictions
• Accelerated Molecular Statics Based on Atomic Inertia Effect
• Torsion and bending periodic boundary conditions for modeling the intrinsic strength of nanowires
• Density functional theory method for twisted geometries with application to torsional deformations in group-IV nanotubes
• Microscopic definition of internal force, moment, and associated stiffnesses in one-dimensional nanostructures at finite temperature
• Design of viscometers corresponding to a universal molecular simulation method
• Galilei invariant molecular dynamics
• Phase transformations and compatibility in helical structures
• Objective structures
• Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch
• A proposal for defining continuous distribution of dislocations for objective structures
• Nonequilibrium molecular dynamics for bulk materials and nanostructures
• Mechanical properties of carbon nanotube ropes with hierarchical helical structures
• Objective molecular dynamics for atomistic simulation of macroscopic fluid motion
• scientific article; zbMATH DE number 5184489 (Why is no real title available?)

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