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dc.contributor.author
Kimminau, Giles  
dc.contributor.author
Erhart, Paul  
dc.contributor.author
Bringa, Eduardo Marcial  
dc.contributor.author
Remington, Bruce  
dc.contributor.author
Wark, Justin S.  
dc.date.available
2024-08-14T12:56:29Z  
dc.date.issued
2010-03  
dc.identifier.citation
Kimminau, Giles; Erhart, Paul; Bringa, Eduardo Marcial; Remington, Bruce; Wark, Justin S.; Phonon instabilities in uniaxially compressed fcc metals as seen in molecular dynamics simulations; American Physical Society; Physical Review B: Condensed Matter and Materials Physics; 81; 9; 3-2010; 1-4  
dc.identifier.issn
1098-0121  
dc.identifier.uri
http://hdl.handle.net/11336/242495  
dc.description.abstract
We show that the generation of stacking faults in perfect face-centered-cubic (fcc) crystals, uniaxially compressed along [001], is due to transverse-acoustic phonon instabilities. The position in reciprocal space where the instability first manifests itself is not a point of high symmetry in the Brillouin zone. This model provides a useful explanation for the magnitude of the elastic limit, in addition to the affects of box size, temperature, and compression on the time scale for the generation of stacking faults. We observe this phenomenon in both simulations that use the Lennard-Jones potential and embedded atom potentials. Not only does this work provide fundamental insight into the microscopic response of the material but it also describes certain behavior seen in previous molecular dynamics simulations of single-crystal fcc metals shock compressed along the principal axis.  
dc.format
application/pdf  
dc.language.iso
eng  
dc.publisher
American Physical Society  
dc.rights
info:eu-repo/semantics/openAccess  
dc.rights.uri
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/  
dc.subject
phonon instabilities  
dc.subject
molecular dynamics  
dc.subject.classification
Física de los Materiales Condensados  
dc.subject.classification
Ciencias Físicas  
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CIENCIAS NATURALES Y EXACTAS  
dc.title
Phonon instabilities in uniaxially compressed fcc metals as seen in molecular dynamics simulations  
dc.type
info:eu-repo/semantics/article  
dc.type
info:ar-repo/semantics/artículo  
dc.type
info:eu-repo/semantics/publishedVersion  
dc.date.updated
2024-08-12T14:03:51Z  
dc.journal.volume
81  
dc.journal.number
9  
dc.journal.pagination
1-4  
dc.journal.pais
Estados Unidos  
dc.description.fil
Fil: Kimminau, Giles. University of Oxford. Department of Physics; Reino Unido  
dc.description.fil
Fil: Erhart, Paul. Lawrence Livermore National Laboratory; Estados Unidos  
dc.description.fil
Fil: Bringa, Eduardo Marcial. Universidad Nacional de Cuyo. Facultad de Ciencias Exactas y Naturales; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Mendoza; Argentina  
dc.description.fil
Fil: Remington, Bruce. Lawrence Livermore National Laboratory; Estados Unidos  
dc.description.fil
Fil: Wark, Justin S.. University of Oxford. Department of Physics; Reino Unido  
dc.journal.title
Physical Review B: Condensed Matter and Materials Physics  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/url/https://journals.aps.org/prb/abstract/10.1103/PhysRevB.81.092102  
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1103/PhysRevB.81.092102