A temperature equation for coupled atomistic/continuum simulations

DOI10.1016/J.CMA.2003.12.023MaRDI QIDQ704532zbMATH OpenOpenAlexWikidataFDO

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

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)

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Cites work

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

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
• Concurrent AtC coupling based on a blend of the continuum stress and the atomistic force
• Modelling transient heat conduction at multiple length and time scales: a coupled non-equilibrium molecular dynamics/continuum approach
• Modelling and numerical study of the polyatomic bitemperature Euler system
• scientific article; zbMATH DE number 6123611 (Why is no real title available?)
• 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
• A multiscale projection method for the analysis of carbon nanotubes
• An introduction to computational nanomechanics and materials
• Thermomechanical continuum representation of atomistic deformation at arbitrary size scales
• 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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