A material frame approach for evaluating continuum variables in atomistic simulations
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Publication:2270077
DOI10.1016/J.JCP.2009.11.039zbMATH Open1303.74005OpenAlexW2006487660MaRDI QIDQ2270077FDOQ2270077
Authors: Jonathan A. Zimmerman, Reese Jones, Jeremy Templeton 
Publication date: 12 March 2010
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.jcp.2009.11.039
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Cites Work
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- Statistical mechanics of inhomogeneous fluids
- A critique of atomistic definitions of the stress tensor
- A Lagrangian-based continuum homogenization approach applicable to molecular dynamics simulations
- Title not available (Why is that?)
- On the microscopic interpretation of stress and couple stress
- On the Cauchy—Born Rule
- Connecting molecular dynamics to micromorphic theory. I: Instantaneous and averaged mechanical variables
- Connecting molecular dynamics to micromorphic theory. II: Balance laws
- Some primitive concepts in continuum mechanics regarded in terms of objective space-time molecular averaging: the key rôle played by inertial observers
- Title not available (Why is that?)
- A new look at the atomic level virial stress: on continuum-molecular system equivalence
- Deformation gradients for continuum mechanical analysis of atomistic simulations
- An atomistic-to-continuum coupling method for heat transfer in solids
- On the definitions of effective stress and deformation gradient for use in MD: Hill's macro-homogeneity and the virial theorem
- Thermomechanical continuum representation of atomistic deformation at arbitrary size scales
Cited In (20)
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- Variational coarse-graining procedure for dynamic homogenization
- Revisiting quantum notions of stress
- Deformation gradients for continuum mechanical analysis of atomistic simulations
- A comparative study of atomistic-based stress evaluation
- Material fields in atomistics as pull-backs of spatial distributions
- Variational foundations and generalized unified theory of RVE-based multiscale models
- On higher gradients in continuum-atomistic modelling.
- Heat flux expressions that satisfy the conservation laws in atomistic system involving multibody potentials
- Coarse-grained atomistic simulation of dislocations
- The construction and application of an atomistic \(\mathbf J\)-integral via Hardy estimates of continuum fields
- Generalized Lagrangian heterogeneous multiscale modelling of complex fluids
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- On the Cauchy—Born Rule
- Finite element analysis of Cauchy-Born approximations to atomistic models
- LAMMPS -- a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales
- Reviewing the roots of continuum formulations in molecular systems, I: Particle dynamics, statistical physics, mass and linear momentum balance equations
- Comparison of several staggered atomistic-to-continuum concurrent coupling strategies
- A multiscale molecular dynamics method for isothermal dynamic problems using the seamless heterogeneous multiscale method
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