학술논문

MOLECULAR DYNAMICS STUDY OF SIZE DEPENDENCES OF MELTING AND CRYSTALLIZATION HEATS OF PLATINUM AND PALLADIUM NANOCLUSTERS
Document Type
article
Source
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, Iss 11, Pp 436-442 (2019)
Subject
platinum nanoclusters
palladium nanoclusters
molecular dynamics
tight binding potential
heat of melting
heat of crystallization
heat of sublimation
heat of evaporation
Physical and theoretical chemistry
QD450-801
Language
Russian
ISSN
2226-4442
2658-4360
Abstract
On the basis of the molecular dynamics results obtained by using the tight binding potential, the heats of melting, crystallization, and also the sublimation and evaporation heats of platinum and palladium nanoclusters were found. The obtained size dependences are linear if the inverse radius is chosen as an argument, which allows extrapolating the dependencies to the corresponding bulk phases and comparing with the tabulated values.