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Size Dependence of the Melting Point of Silicon Nanoparticles: Molecular Dynamics and Thermodynamic Simulation
- Source :
- Semiconductors. 53:947-953
- Publication Year :
- 2019
- Publisher :
- Pleiades Publishing Ltd, 2019.
-
Abstract
- The size dependence of the melting point of Si nanoparticles is investigated using molecular dynamics and thermodynamic simulation based on the Thomson’s formula. The atomistic modeling data obtained using the Stillinger–Weber potential agree with the results reported by other authors and thermodynamic-simulation data and predict a decrease in the melting point Tm of Si nanoparticles with an increase in their reciprocal radius R–1 according to linear law. The available experimental data predict lower Tm values, including the limiting value $$T_{m}^{{(\infty )}}$$ , which corresponds to the linear extrapolation of experimental points to R–1 → 0 (to the radius R → ∞); the underestimation is 200–300 K as compared with the reference melting point of silicon (1688 K). It is concluded that the molecular-dynamics data on Tm(R–1) obtained using the Stillinger–Weber potential are more adequate than the available experimental data.
- Subjects :
- 010302 applied physics
Materials science
Silicon
Extrapolation
Thermodynamics
Nanoparticle
chemistry.chemical_element
02 engineering and technology
Radius
Thermodynamic simulation
021001 nanoscience & nanotechnology
Condensed Matter Physics
01 natural sciences
Atomic and Molecular Physics, and Optics
Electronic, Optical and Magnetic Materials
Molecular dynamics
chemistry
0103 physical sciences
Melting point
0210 nano-technology
Size dependence
Subjects
Details
- ISSN :
- 10906479 and 10637826
- Volume :
- 53
- Database :
- OpenAIRE
- Journal :
- Semiconductors
- Accession number :
- edsair.doi...........ea2cfe3d72701d30e06c446aa9c9f118