Objective molecular dynamics

DOI10.1016/J.JMPS.2007.03.001zbMATH Open1170.74005OpenAlexW2126076178MaRDI QIDQ1027095FDOQ1027095

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

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zbMATH Keywords

carbon nanotubessymmetry groupatomistic structure

Mathematics Subject Classification ID

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

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• 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)

• Zig-zag twins and helical phase transformations
• Accelerated Molecular Statics Based on Atomic Inertia Effect
• Discrete-to-continuum limits of long-range electrical interactions in nanostructures
• Design of viscometers corresponding to a universal molecular simulation method
• Objective molecular dynamics for atomistic simulation of macroscopic fluid motion
• Twinning mechanism and habit lines in monolayer-thick free-standing graphene: theoretical predictions
• A proposal for defining continuous distribution of dislocations for objective structures
• Nonequilibrium molecular dynamics for bulk materials and nanostructures
• 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
• Torsion and bending periodic boundary conditions for modeling the intrinsic strength of nanowires
• Title not available (Why is that?)
• Galilei invariant molecular dynamics
• A constitutive relation generalizing the Navier–Stokes theory to high-rate regimes
• Symmetry-adapted tight-binding electronic structure analysis of carbon nanotubes with defects, kinks, twist, and stretch
• Rescaled Objective Solutions of Fokker--Planck and Boltzmann equations
• Mechanical properties of carbon nanotube ropes with hierarchical helical structures
• Objective structures
• Phase transformations and compatibility in helical structures
• Cyclic density functional theory: a route to the first principles simulation of bending in nanostructures

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