| Author | dc.contributor.author | Valencia Balvín, Camilo | |
| Author | dc.contributor.author | Loyola, Claudia | es_CL |
| Author | dc.contributor.author | Osorio Guillén, Jorge | es_CL |
| Author | dc.contributor.author | Gutiérrez Gallardo, Gonzalo | es_CL |
| Admission date | dc.date.accessioned | 2011-05-25T12:13:17Z | |
| Available date | dc.date.available | 2011-05-25T12:13:17Z | |
| Publication date | dc.date.issued | 2010-09-30 | |
| Cita de ítem | dc.identifier.citation | Physica B405(2010)4970–4977 | es_CL |
| Identifier | dc.identifier.issn | 0921-4526 | |
| Identifier | dc.identifier.uri | https://repositorio.uchile.cl/handle/2250/119218 | |
| Abstract | dc.description.abstract | Molecular dynamics simulations for the crystal,amorphous and liquid Cu46Zr54 alloy werecarriedout
on asystemwithupto2000particles,usingapairwisepotentialoftheRosato–Guillope–Legrandtype.
All simulationsweredoneinthemicrocanonicalensemble,forainitialdensityof5.76g/cm3, at
differenttemperatures.Adetailedanalysishasbeenmadebymeansofthepair-correlationfunction,
coordinationnumber,angledistribution,diffusioncoefficientandvibrationaldensityofstates.We
comparedthemainpeaksoftheamorphousphasewithexperimentaldata,obtainingagoodagreement.
The analysisofcoordinationnumberfortheamorphousphaseshowsthatthemainbuildingblockof
this phasearedistortedicosahedron. | es_CL |
| Patrocinador | dc.description.sponsorship | TheauthorswouldliketothanktheColombiaagency
CODI-UniversidaddeAntioquia(EstrategiadeSostenibilidadGrupo
de MateriaCondensada-UdeA,2009–2010)andProjectPBCT-Chile
Anillo ACT-24‘‘Computersimulationlabfornanobiomaterials’’. | es_CL |
| Lenguage | dc.language.iso | en | es_CL |
| Publisher | dc.publisher | Elsevier B.V. | es_CL |
| Keywords | dc.subject | Molecular dynamics | es_CL |
| Título | dc.title | Structural and dynamical properties of the Cu46Zr54 alloy incrystalline, amorphous and liquid state: A molecular dynamic study | es_CL |
| Document type | dc.type | Artículo de revista | |
