Derivation of Higher Order Gradient Continuum Models from Atomistic Models for Crystalline Solids

DOI10.1137/040608738MaRDI QIDQ5695940zbMATH OpenOpenAlexFDO

Authors Michael Griebel, Marcel Arndt

Publication date 6 October 2005

Published in Multiscale Modeling & Simulation (Search for Journal in Brave)

Full work available at URL https://semanticscholar.org/paper/1f0ac9b5b4138e148c3a29242002dc3b850ba12c

zbMATH Keywords

continuum limitmolecular dynamicsmultiscale simulationquasi-continuum approximationupscaling

Mathematics Subject Classification ID

Second-order nonlinear hyperbolic equations (35L70) Finite difference methods for initial value and initial-boundary value problems involving PDEs (65M06) Generalities, axiomatics, foundations of continuum mechanics of solids (74A99) Nonlinear elasticity (74B20) Crystalline structure (74E15)

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Cited in

(22)

• On higher gradients in continuum-atomistic modelling.
• Challenges in atomistic-to-continuum coupling
• Finite element analysis of Cauchy-Born approximations to atomistic models
• The regularity properties and blow-up of solutions for nonlocal wave equations and applications
• A finite difference approach with velocity interfacial conditions for multiscale computations of crystalline solids
• Atomic to continuum passage for nanotubes: a discrete Saint-Venant principle and error estimates
• Thermomechanics-based nonlinear rate-dependent coupled damage-plasticity granular micromechanics model
• A priori error estimates for energy-based quasicontinuum approximations of a periodic chain
• Coarse-graining molecular dynamics models using an extended Galerkin projection method
• Micromechanical model for viscoelastic materials undergoing damage
• Discrete-Continuum Transition in Modelling Nanomaterials
• Comparison of Nonlocal Operators Utilizing Perturbation Analysis
• Stability of Energy Transfer in the Weak Coupling Method
• Non-local energetics of random heterogeneous lattices
• The Lp-regularity properties of nonlocal wave equations and applications
• Atomistic to Continuum limits for computational materials science
• Finite-temperature coarse-graining of one-dimensional models: mathematical analysis and computational approaches
• Nonlocal-to-local limit in linearized viscoelasticity
• A stationarity principle generating effective boundary conditions for second-order homogenization
• Local interpolation techniques for higher-order singular perturbations of non-convex functionals: free-discontinuity problems
• Towards multi-scale continuum elasticity theory
• A multiscale coupling method for the modeling of dynamics of solids with application to brittle cracks

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