Impact of crystal lattice defects on crystal melting: A molecular dynamics study
2013 (English)In: Computational materials science, ISSN 0927-0256, Vol. 79, 95-98 p.Article in journal (Refereed) Published
An ideal infinite lattice, when subjected to heating does not melt at the thermodynamic melting temperature. Instead, it remains solid metastably up to considerably higher temperatures. This effect is called superheating. We performed a molecular dynamics simulation of Xenon using Lennard-Jonesium potential with several types of defects. We observed a superheating effect on the chosen model for several pressures and found that the presence of grain inclusion or grain interface eliminates the superheating effect.
Place, publisher, year, edition, pages
2013. Vol. 79, 95-98 p.
Superheating, Overheating, Lennard-Jonesium, Melting
IdentifiersURN: urn:nbn:se:kth:diva-132197DOI: 10.1016/j.commatsci.2013.06.026ISI: 000324471100014ScopusID: 2-s2.0-84879937895OAI: oai:DiVA.org:kth-132197DiVA: diva2:659229
QC 201310242013-10-242013-10-242016-06-15Bibliographically approved