Accelerated Molecular Statics Based on Atomic Inertia Effect

DOI10.4208/CICP.OA-2019-0157MaRDI QIDQ5162328zbMATH OpenOpenAlexFDO

Authors Fei Shuang, Pan Xiao, Yilong Bai, Fujiu Ke

Publication date 2 November 2021

Published in Communications in Computational Physics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.4208/cicp.oa-2019-0157

zbMATH Keywords

efficiency improvementelastic mapping loadingenergy minimizationlocal optimizationmolecular staticstwo-dimensional atomic bar

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Energy minimization in equilibrium problems in solid mechanics (74G65) Numerical and other methods in solid mechanics (74S99)

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• On a modification of the molecular dynamics method

Cites work

• A posteriori performance-based comparison of three new path-following constraints for damage analysis of quasi-brittle materials
• An efficient multigrid method for molecular mechanics modeling in atomic solids
• Fast parallel algorithms for short-range molecular dynamics
• Generalized Multistep Predictor-Corrector Methods
• scientific article; zbMATH DE number 434714 (Why is no real title available?)
• Modeling materials. Continuum, atomistic and multiscale techniques.
• Multiscale plasticity modeling: Coupled atomistics and discrete dislocation mechanics
• On the limited memory BFGS method for large scale optimization
• On the nonlocal nature of dislocation nucleation during nanoindentation
• Path-following methods in bifurcation problems
• Predictive modeling of nanoindentation-induced homogeneous dislocation nucleation in copper

Cited in

(5)

• An efficient multigrid strategy for large-scale molecular mechanics optimization
• Enhanced calculation of eigen-stress field and elastic energy in atomistic interdiffusion of alloys
• Spatial prediction of crystalline defects observed in molecular dynamic simulations of plastic damage
• Acceleration mechanism of atom clusters during radiationless transitions
• Multiple time scale method for atomistic simulations

Describes a project that uses

Uses Software

• L-BFGS

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