Hyper-QC: An accelerated finite-temperature quasicontinuum method using hyperdynamics

DOI10.1016/J.JMPS.2013.10.001zbMATH Open1303.74007OpenAlexW2133603336MaRDI QIDQ486483FDOQ486483

Sumit K. Garg, Yong-Cai Geng

Publication date: 16 January 2015

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.2013.10.001

zbMATH Keywords

fracturefinite elementsmultiscale methodsconstitutive behaviorprobability and statistics

Mathematics Subject Classification ID

Theories of fracture and damage (74A45) Finite element methods applied to problems in solid mechanics (74S05) Stochastic and other probabilistic methods applied to problems in solid mechanics (74S60)

Cites Work

• On the Cauchy—Born Rule
• Rigorous treatment of metastable states in the van der Waals-Maxwell theory
• Modeling Materials
• Splitting for Dissipative Particle Dynamics
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• An analysis of the effect of ghost force oscillation on quasicontinuum error
• TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY
• Title not available (Why is that?)

Cited In (10)

• Analysis of Transition State Theory Rates upon Spatial Coarse-Graining
• Approximation of Crystalline Defects at Finite Temperature
• One-dimensional moving window atomistic framework to model long-time shock wave propagation
• Formulation and optimization of the energy-based blended quasicontinuum method
• A Consistency Study of Coarse-Grained Dynamical ChainsthroughaNonlinearWaveEquationofMixed Type
• Numerical calculations using the hyper-molecular dynamics simulation method
• A theoretical examination of diffusive molecular dynamics
• Thermodynamic limit of the transition rate of a crystalline defect
• High resolution finite volume scheme for the quantum hydrodynamic equations
• Free energy calculation and ghost force correction for hot‐QC

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