Extended molecular dynamics: seamless temporal coarse-graining and transition between deterministic and probabilistic paradigms

DOI10.1016/J.EUROMECHSOL.2022.104858zbMath1503.74007OpenAlexW4308323157MaRDI QIDQ2102687

Ignacio Romero, Michael Ortiz

Publication date: 29 November 2022

Published in: European Journal of Mechanics. A. Solids (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.euromechsol.2022.104858

zbMATH Keywords

molecular dynamicsatomistic mechanicsaverage system motionLiouville formalismtime-rescaled Hamilton equation

Mathematics Subject Classification ID

Continuum models (systems of particles, etc.) arising in equilibrium statistical mechanics (82B21) Molecular, statistical, and kinetic theories in solid mechanics (74A25) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60)

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Unnamed Item
• Atomistic long-term simulation of heat and mass transport
• A variational approach to coarse graining of equilibrium and non-equilibrium atomistic description at finite temperature
• The variational multiscale method -- a paradigm for computational mechanics
• A multilevel finite element method (FE\(^{2}\)) to describe the response of highly nonlinear structures using generalized continua.
• On the \(\Gamma\)-convergence of discrete dynamics and variational integrators
• A new quasi-continuum constitutive model for crack growth in an isotropic solid
• Plasticity and beyond. Microstructures, crystal-plasticity and phase transitions. Papers based on the presentations at the CISM course, Udine, Italy, June 27 -- July 1, 2011
• Micromechanics \& emergence in time
• A quasicontinuum methodology for multiscale analyses of discrete microstructural models
• Modeling Materials
• Variational time integrators
• Information Theory and Statistical Mechanics
• Discrete mechanics and variational integrators
• An analysis of the quasicontinuum method

This page was built for publication: Extended molecular dynamics: seamless temporal coarse-graining and transition between deterministic and probabilistic paradigms