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The Continuum Limit of the Thomas-Fermi-Dirac-von Weizsaecker Mode

Posted on:2018-09-15Degree:Ph.DType:Dissertation
University:Duke UniversityCandidate:Xu, ChaoFull Text:PDF
GTID:1472390020956078Subject:Mathematics
Abstract/Summary:PDF Full Text Request
This work studies the atomistic Thomas-Fermi-Dirac-von Weiszacker model on a Bravais lattice, by establishing relation with the continuum elasticity model, thus provides it a solid microscopic foundation at the atomistic level. More specifically, the stored energy density can be derived from the atomistic TFDW functional by homogenization, by assuming a reasonable stability condition, the discrete deformation function we get from the atomistic model converges to the Cauchy-Born solution from solving the continuum model with a quadratic rate due to underlying inversion symmetry of the lattice. In our analysis, we used two-scale ansatz to construct approximate solutions, discrete Fourier analysis in the consistence estimate, and perturbation technique to analyze the Hessian for the stability analysis.
Keywords/Search Tags:Continuum, Model, Atomistic
PDF Full Text Request
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