On (Andersen-)Parrinello-Rahman molecular dynamics, the related metadynamics, and the use of the Cauchy-Born rule
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Publication:5962115
DOI10.1007/s10659-010-9250-0zbMath1272.74015OpenAlexW2033972340MaRDI QIDQ5962115
Publication date: 16 September 2010
Published in: Journal of Elasticity (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10659-010-9250-0
Micromechanical theories (74A60) Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Molecular, statistical, and kinetic theories in solid mechanics (74A25)
Related Items (7)
A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method ⋮ From point particles to body points ⋮ Comments on a continuum-related Parrinello-Rahman molecular dynamics formulation ⋮ Continuum mechanics as a computable coarse-grained picture of molecular dynamics ⋮ Continuum mechanics from molecular dynamics via adiabatic time and length scale separation ⋮ An extended molecular statics algorithm simulating the electromechanical continuum response of ferroelectric materials ⋮ An atomistic-to-continuum molecular dynamics: theory, algorithm, and applications
Cites Work
- Cauchy-Born rule and the stability of crystalline solids: Static problems
- Models of phase segregation and diffusion of atomic species on a lattice
- On the material symmetry group of elastic crystals and the Born rule
- Continuum theory of thermally induced phase transitions based on an order parameter
- Generalized Ginzburg-Landau and Cahn-Hilliard equations based on a microforce balance
- On the Cauchy—Born Rule
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