Please use this identifier to cite or link to this item: http://repositorio.unicamp.br/jspui/handle/REPOSIP/108983
Type: Artigo de periódico
Title: Elastic Constants Of Hcp 4he: Path-integral Monte Carlo Results Versus Experiment
Author: Ardila L.A.P.
Vitiello S.A.
De Koning M.
Abstract: The elastic constants of hcp 4He are computed using the path-integral Monte Carlo (PIMC) method. The stiffness coefficients are obtained by imposing different distortions to a periodic cell containing 180 atoms, followed by measurement of the elements of the corresponding stress tensor. For this purpose an appropriate path-integral expression for the stress tensor observable is derived and implemented into the pimc++ package. In addition to allowing the determination of the elastic stiffness constants, this development also opens the way to an explicit atomistic determination of the Peierls stress for dislocation motion using the PIMC technique. A comparison of the results to available experimental data shows an overall good agreement of the density dependence of the elastic constants, with the single exception of C 13. Additional calculations for the bcc phase, on the other hand, show good agreement for all elastic constants. © 2011 American Physical Society.
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Rights: aberto
Identifier DOI: 10.1103/PhysRevB.84.094119
Address: http://www.scopus.com/inward/record.url?eid=2-s2.0-80053500596&partnerID=40&md5=12a418606b17bba92bed2f60f9ed345e
Date Issue: 2011
Appears in Collections:Unicamp - Artigos e Outros Documentos

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