On size dependences of melting and crystallization entropies of copper nanoparticles
N.E. Sdobnyakov, A.D. Veselov, P.M. Ershov, D.N. Sokolov, V.M. Samsonov, S.A. Vasilyev, V.S. Myasnichenko
DOI: 10.26456/pcascnn/2016.8.345
Original article
Abstract: Using molecular dynamics (MD) and Monte Carlo (MC) simulation results on melting and crystallization of copper nanoparticles (temperatures and heats of phase transitions), size dependences of the melting and crystallization entropies were obtained and analyzed. Besides, a theoretical approach to the estimation of size dependence of melting and crystallization entropies was developed. It has been found that the size dependence of the melting entropy is more pronounced than that for the crystallization entropy. The conclusion was confirmed using two alternative methods of computer simulation (MD and MC).
Keywords: size dependence, melting and crystallization entropies, copper nanoparticles
- N.E. Sdobnyakov
- A.D. Veselov
- P.M. Ershov
- D.N. Sokolov
- V.M. Samsonov
- S.A. Vasilyev
- V.S. Myasnichenko
Reference:
Sdobnyakov, N.E. On size dependences of melting and crystallization entropies of copper nanoparticles / N.E. Sdobnyakov, A.D. Veselov, P.M. Ershov, D.N. Sokolov, V.M. Samsonov, S.A. Vasilyev, V.S. Myasnichenko // Physical and chemical aspects of the study of clusters, nanostructures and nanomaterials. — 2016. — I. 8. — P. 345-353. DOI: 10.26456/pcascnn/2016.8.345. (In Russian).
Full article (in Russian): download PDF file
Content |