Size dependent melting of Silicon nanoparticles

Authors

  • Nguyen Thi Thuy Hang Ho Chi Minh City University of Technology, 268 Ly Thuong Kiet Street, ward 14, District 10, Ho Chi Minh City, Vietnam

DOI:

https://doi.org/10.15625/0868-3166/24/3/4070

Keywords:

thermodynamics of melting, molecular dynamics simulations, size dependent melting, silicon nanoparticles

Abstract

Melting of crystalline silicon nanoparticles is studied by molecular dynamics (MD) simulations using Stillinger-Weber potential. Models are heated up from a crystalline to a normal liquid state. Temperature dependence of total energy and the Lindemann ratio exhibit a first-order-like behavior of the transition at the melting point. Heat capacity of the system presents a single peak at around the melting point. The size dependent melting is presented. As the size of the nanoparticles increases, the variation of the melting point becomes more monotonic and the temperature range of bistability shifts to higher temperatures. In large nanoparticles, the proportion of interior atoms increases and the average potential energy per atom converges to the bulk or thin films.

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Author Biography

Nguyen Thi Thuy Hang, Ho Chi Minh City University of Technology, 268 Ly Thuong Kiet Street, ward 14, District 10, Ho Chi Minh City, Vietnam

Computational physics

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Published

21-08-2014

How to Cite

Hang, N. T. T. (2014). Size dependent melting of Silicon nanoparticles. Communications in Physics, 24(3), 207. https://doi.org/10.15625/0868-3166/24/3/4070

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Section

Papers