Coupled atomistic--continuum simulations using arbitrary overlapping domains

DOI10.1016/j.jcp.2005.08.014zbMath1137.74367MaRDI QIDQ2490300

Yanyan Li

Publication date: 28 April 2006

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2005.08.014

zbMATH Keywords

Finite elements; Continuum mechanics; Coupling; Atomistic simulation

Mathematics Subject Classification ID

74H15: Numerical approximation of solutions of dynamical problems in solid mechanics

Related Items

Three‐dimensional ellipsoidal discrete element modeling of granular materials and its coupling with finite element facets, A continuum‐to‐atomistic bridging domain method for composite lattices, Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice, Heat flux expressions that satisfy the conservation laws in atomistic system involving multibody potentials, Coarse-grained atomistic simulation of dislocations, Investigating the deformation of nanocrystalline copper with microscale kinematic metrics and molecular dynamics, The construction and application of an atomistic \(\mathbf J\)-integral via Hardy estimates of continuum fields, Mortar coupling and upscaling of pore-scale models, Static and dynamic studies for coupling discrete and continuum media; application to a simple railway track model, A surface Cauchy-Born model for silicon nanostructures, A finite element formulation for nanoscale resonant mass sensing using the surface Cauchy-Born model, A multiscale, finite deformation formulation for surface stress effects on the coupled thermomechanical behavior of nanomaterials, Comparison of several staggered atomistic-to-continuum concurrent coupling strategies, Three-dimensional bridging scale analysis of dynamic fracture, Bridging scale methods for nanomechanics and materials, A coupling atomistic-continuum approach for modeling mechanical behavior of nano-crystalline structures, Reviewing the roots of continuum formulations in molecular systems. Part II: Energy and angular momentum balance equations, MULTISCALE SIMULATION OF MICROCRACK BASED ON A NEW ADAPTIVE FINITE ELEMENT METHOD, A multiscale finite element method for the dynamic analysis of surface‐dominated nanomaterials

Cites Work

• Unnamed Item
• Unnamed Item
• A bridging domain method for coupling continua with molecular dynamics
• Coupling of atomistic and continuum simulations using a bridging scale decomposition.
• Three-dimensional bridging scale analysis of dynamic fracture
• The elastic modulus of single-wall carbon nanotubes: a continuum analysis incorporating interatomic potentials.
• Numerical simulation of crack growth in an isotropic solid with randomized internal cohesive bonds
• An adaptive finite element approach to atomic-scale mechanics. -- The quasicontinuum method
• Reproducing kernel particle methods
• Harmonic Dispersion Analysis of Incremental Waves in Uniaxially Prestressed Plastic and Viscoplastic Bars, Plates, and Unbounded Media
• Multiscale enrichment based on partition of unity
• The Cauchy relations in a molecular theory of elasticity
• On the atomic theory of elasticity
• An analysis of the quasicontinuum method