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

DOI10.1016/J.JMPS.2013.10.001MaRDI QIDQ486483zbMATH OpenOpenAlexFDO

Authors 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 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)

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Cites work

• scientific article; zbMATH DE number 2223421 (Why is no real title available?)
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• An analysis of the effect of ghost force oscillation on quasicontinuum error
• Modeling materials. Continuum, atomistic and multiscale techniques.
• On the Cauchy—Born Rule
• Rigorous treatment of metastable states in the van der Waals-Maxwell theory
• Splitting for Dissipative Particle Dynamics
• TRILLION-ATOM MOLECULAR DYNAMICS BECOMES A REALITY

Cited in

(11)

• Analysis of transition state theory rates upon spatial coarse-graining
• Numerical calculations using the hyper-molecular dynamics simulation method
• High resolution finite volume scheme for the quantum hydrodynamic equations
• Approximation of crystalline defects at finite temperature
• A theoretical examination of diffusive molecular dynamics
• One-dimensional moving window atomistic framework to model long-time shock wave propagation
• A consistency study of coarse-grained dynamical chains through a nonlinear wave equation of mixed type
• A variational approach to coarse graining of equilibrium and non-equilibrium atomistic description at finite temperature
• Free energy calculation and ghost force correction for hot‐QC
• Formulation and optimization of the energy-based blended quasicontinuum method
• Thermodynamic limit of the transition rate of a crystalline defect

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