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

DOI10.1016/j.jmps.2013.10.001zbMath1303.74007OpenAlexW2133603336MaRDI QIDQ486483

Yong-Cai Geng, Sumit K. Garg

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 elementsconstitutive behaviormultiscale methodsprobability and statistics

Mathematics Subject Classification ID

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

Related Items (8)

Analysis of Transition State Theory Rates upon Spatial Coarse-Graining ⋮ Free energy calculation and ghost force correction for hot‐QC ⋮ Approximation of Crystalline Defects at Finite Temperature ⋮ Thermodynamic limit of the transition rate of a crystalline defect ⋮ Formulation and optimization of the energy-based blended quasicontinuum method ⋮ A Consistency Study of Coarse-Grained Dynamical ChainsthroughaNonlinearWaveEquationofMixed Type ⋮ One-dimensional moving window atomistic framework to model long-time shock wave propagation ⋮ A Theoretical Examination of Diffusive Molecular Dynamics

Cites Work

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• Rigorous treatment of metastable states in the van der Waals-Maxwell theory
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• Modeling Materials
• An analysis of the effect of ghost force oscillation on quasicontinuum error
• Splitting for Dissipative Particle Dynamics
• TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY
• On the Cauchy—Born Rule

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