A temperature equation for coupled atomistic/continuum simulations

DOI10.1016/J.CMA.2003.12.023zbMATH Open1079.74507OpenAlexW2029484033WikidataQ106473949 ScholiaQ106473949MaRDI QIDQ704532FDOQ704532

Authors: Wing K. Liu, Harold S. Park, Eduard G. Karpov 

Publication date: 13 January 2005

Published in: Computer Methods in Applied Mechanics and Engineering (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.cma.2003.12.023

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zbMATH Keywords

Finite elementsMolecular dynamicsBridging scaleCoupling methodsFinite temperatureLattice evolution functionMultiple scale simulations

Mathematics Subject Classification ID

Molecular, statistical, and kinetic theories in solid mechanics (74A25) Thermal effects in solid mechanics (74F05)

Cites Work

• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Reproducing kernel particle methods
• A Green's function approach to deriving non‐reflecting boundary conditions in molecular dynamics simulations
• Numerical Inversion of Laplace Transforms Using Laguerre Functions
• An introduction to computational nanomechanics and materials
• An introduction and tutorial on multiple-scale analysis in solids
• Molecular dynamics boundary conditions for regular crystal lattices

Cited In (28)

• Time history kernel functions for square lattice
• A mesoscopic bridging scale method for fluids and coupling dissipative particle dynamics with continuum finite element method
• A surface Cauchy-Born model for silicon nanostructures
• Generalized mathematical homogenization of atomistic media at finite temperatures in three dimensions
• On multiscale non-equilibrium molecular dynamics simulations
• Modelling transient heat conduction in solids at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach
• Mechanical modeling of graphene using the three-layer-mesh bridging domain method
• A finite element formulation for nanoscale resonant mass sensing using the surface Cauchy-Born model
• Algorithms for bridging scale method parameters
• Selective damping method for the weak-Arlequin coupling of molecular dynamics and finite element method
• A three-layer-mesh bridging domain for coupled atomistic-continuum simulations at finite temperature: formulation and testing
• A finite temperature continuum theory based on interatomic potential in crystalline solids
• Spatial filters for bridging molecular dynamics with finite elements at finite temperatures
• Modelling transient heat conduction at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach
• Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
• Title not available (Why is that?)
• Modelling and numerical study of the polyatomic bitemperature Euler system
• An atomistic-to-continuum coupling method for heat transfer in solids
• The Nosé-Poincaré method for constant temperature molecular dynamics
• A coupling atomistic-continuum approach for modeling mechanical behavior of nano-crystalline structures
• A variational approach to coarse graining of equilibrium and non-equilibrium atomistic description at finite temperature
• Thermomechanical continuum representation of atomistic deformation at arbitrary size scales
• A multiscale projection method for the analysis of carbon nanotubes
• An introduction to computational nanomechanics and materials
• On the Cauchy—Born Rule
• Three-dimensional bridging scale analysis of dynamic fracture
• A concurrent atomistic and continuum coupling method with applications to thermo-mechanical problems
• Bridging scale methods for nanomechanics and materials

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