Comments on a continuum-related Parrinello-Rahman molecular dynamics formulation

DOI10.1007/S10659-012-9412-3zbMATH Open1277.82019OpenAlexW2052158553MaRDI QIDQ379997FDOQ379997

Manfred H. Ulz

Publication date: 11 November 2013

Published in: Journal of Elasticity (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10659-012-9412-3

Recommendations

• On (Andersen-)Parrinello-Rahman molecular dynamics, the related metadynamics, and the use of the Cauchy-Born rule
• Kinetics of phase transformations in the peridynamic formulation of continuum mechanics
• A Lagrangian-based continuum homogenization approach applicable to molecular dynamics simulations
• An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications
• A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method

zbMATH Keywords

phase transitioncontinuum mechanicsmodular invariancemolecular dynamicsobjectivity

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Phase transitions (general) in equilibrium statistical mechanics (82B26) Statistical mechanics of solids (82D20)

Cites Work

• Title not available (Why is that?)
• Spatial entropy of central potentials and strong asymptotics of orthogonal polynomials
• On (Andersen-)Parrinello-Rahman molecular dynamics, the related metadynamics, and the use of the Cauchy-Born rule

Cited In (5)

• Continuum mechanics as a computable coarse-grained picture of molecular dynamics
• An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications
• Reviewing the roots of continuum formulations in molecular systems. Part II: Energy and angular momentum balance equations
• Reviewing the roots of continuum formulations in molecular systems, I: Particle dynamics, statistical physics, mass and linear momentum balance equations
• A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method

This page was built for publication: Comments on a continuum-related Parrinello-Rahman molecular dynamics formulation

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q379997)