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image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Computational Materi...arrow_drop_down
image/svg+xml Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao Closed Access logo, derived from PLoS Open Access logo. This version with transparent background. http://commons.wikimedia.org/wiki/File:Closed_Access_logo_transparent.svg Jakob Voss, based on art designer at PLoS, modified by Wikipedia users Nina and Beao
Computational Materials Science
Article . 2021 . Peer-reviewed
License: Elsevier TDM
Data sources: Crossref
SSRN Electronic Journal
Article . 2020 . Peer-reviewed
Data sources: Crossref
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Signatures of the Effects of Defects on the Bulk Moduli of Crystalline Solids

Authors: Richard G. Hoagland; Saryu J. Fensin;

Signatures of the Effects of Defects on the Bulk Moduli of Crystalline Solids

Abstract

Abstract The small atomic region containing a defect in a crystalline solid is nonlinear elastic. In this paper, we consider a solid containing defects as a composite wherein the defected regions have a bulk modulus, K , different from that of the perfect crystal. If the volume fraction of the defected regions is sufficiently small, a rule of mixtures should apply so that K of the composite depends linearly on the volume fraction of the defected region. We identify the slope of that linear dependence as the signature, denoted S . We further show that S is related to a property of the linear elastic fields of point defects described by elastic dipole tensors, P ij . To first order, the P ij of such defects depend linearly on external strain and the strength of that dependence is the diaelastic polarizability tensor, α . We show that S is simply related to α . Atomistic models of EAM Ni were used to compute K versus reciprocal volume for several kinds of defects, namely single, di-, and tri-vacancies and interstitials, dislocations, and grain boundaries. The results show 1) when the volume fraction of the defected region is small, a rule of mixtures applies, and 2) S has a distinct value for each defect and is negative for vacancies but positive for the other defects. Thus, S depends on the effective modulus of the nonlinear region and its size. The effective bulk modulus of a spherical ball-in-hole composite model derived in the Appendix predicts that the variation of K with volume fraction is very nearly linear. The magnitudes of S , although quite small, are discussed as a potential means of monitoring defect changes in their concentration via sensitive experimental measurements of the bulk modulus.

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
5
Top 10%
Average
Average
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