Complex Approach to Atomistic Simulation of the Size Dependences of the Temperature and the Heat of Melting of Co Nanoparticles: Molecular Dynamics and Monte Carlo Method

The size dependences of the temperatures of melting and crystallization of Co nanoparticles and also those of the heat (enthalpy) of melting and crystallization are studied using a complex approach to atomistic simulation combining the use of the molecular dynamic and Monte Carlo methods. It is esta...

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Bibliographic Details
Published in:Surface investigation, x-ray, synchrotron and neutron techniques x-ray, synchrotron and neutron techniques, 2019-11, Vol.13 (6), p.1185-1188
Main Authors: Samsonov, V. M., Sdobnyakov, N. Yu, Talyzin, I. V., Sokolov, D. N., Myasnichenko, V. S., Vasilyev, S. A., Kolosov, A. Yu
Format: Article
Language:English
Subjects:
Chemistry and Materials Science
Cobalt
Computer simulation
Crystallization
Enthalpy
Materials Science
Melting
Molecular dynamics
Monte Carlo simulation
Nanoparticles
Phase transitions
Surfaces and Interfaces
Thin Films
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Summary:The size dependences of the temperatures of melting and crystallization of Co nanoparticles and also those of the heat (enthalpy) of melting and crystallization are studied using a complex approach to atomistic simulation combining the use of the molecular dynamic and Monte Carlo methods. It is established that and decrease linearly with increasing inverse particle radius. The phase transition heats and also decrease during the transition from the bulk phase to nanoparticles, but it seems this effect is non-scalable.
ISSN:1027-4510
1819-7094
DOI:10.1134/S1027451019060478