Continuum surface energy from a lattice model

DOI10.3934/NHM.2014.9.453zbMATH Open1305.74074arXiv1201.0712OpenAlexW3103366820MaRDI QIDQ480085FDOQ480085

Authors: Phoebus Rosakis 

Publication date: 8 December 2014

Published in: Networks and Heterogeneous Media (Search for Journal in Brave)

Abstract: We investigate connections between the continuum and atomistic descriptions of deformable crystals, using certain interesting results from number theory. The energy of a deformed crystal is calculated in the context of a lattice model with general binary interactions in two dimensions. A new bond counting approach is used, which reduces the problem to the lattice point problem of number theory. The main contribution is an explicit formula for the surface energy density as a function of the deformation gradient and boundary normal. The result is valid for a large class of domains, including faceted (polygonal) shapes and regions with piecewise smooth boundaries.

Full work available at URL: https://arxiv.org/abs/1201.0712

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zbMATH Keywords

atomistic modelslattice point problemsurface energycontinuum modelspair potential

Mathematics Subject Classification ID

Crystals in solids (74N05) Lattice points in specified regions (11P21) Homogenization, determination of effective properties in solid mechanics (74Qxx)

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Cited In (8)

• Interfacial energies of systems of chiral molecules
• Surface energies in a two-dimensional mass-spring model for crystals
• Asymptotic analysis of microscopic impenetrability constraints for atomistic systems
• Deformation energy at surfaces
• Atomistic-to-continuum multiscale modeling with long-range electrostatic interactions in ionic solids
• Continuum limits of atomistic energies allowing smooth and sharp interfaces in 1D elasticity
• Discrete-to-continuum modelling of weakly interacting incommensurate two-dimensional lattices
• Surface energy and boundary layers for a chain of atoms at low temperature

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