Atomistic modeling of the thermophysical characteristics of silicon in the region of the semiconductor-metal phase transition

Self Cite

In a wide temperature range, including the semiconductor-metal phase transition region and the near-critical region, the results of modeling the silicon phonon thermal conductivity are presented. Since the transfer of thermal energy is carried out by phonons and free charge carriers, it is necessary to take into account both the contribution of phonons and electrons in the total thermal conductivity. In contrast to metals, heat transfer in silicon in the solid state is determined by phonon thermal conductivity. Although the contribution of the electronic component to the total thermal conductivity increases with increasing temperature, the inclusion of phonon thermal conductivity is of particular importance in liquid silicon. At higher temperatures, phonon thermal conductivity plays an important role in the modeling of the mechanisms of interaction of pulsed laser radiation with silicon in the framework of the two-temperature continuum model. Obtaining the temperature dependence of phonon thermal conductivity in such a wide temperature range from experiment is problematic. In this work, phonon thermal conductivity was obtained in the range 300 ≤ T ≤ 6500 K from molecular dynamics simulation using the KIHS potential.

Section: Modeling Resultsmentioning

confidence: 99%

Section: Resultsmentioning

confidence: 99%

Modeling of thermal conductivity of Si in the range from the normal to near-critical conditions

Koroleva¹,

Demin²,

Mazhukin³

2019

Self Cite

“…One of the standard ways to analyze mathematical models is to solve them numerically [13][14][15]. So in this section we provide a series of computational experiments.…”

Section: Numerical Experiments and Some Scenarios Of Warfarementioning

confidence: 99%

"Power-Information-Society" model

Михайлов¹,

Petrov²,

Proncheva³

2019

The paper deals with the construction and primary analysis of "Power-Information-Society" model, which is a combination of the model of information warfare and the "Power-Society" model. The constructed model has the form of a system from parabolic and two differential equations. The model is studied numerically. Some sociological interpretation is given for the results of the mathematical analysis.

“…The traditional experimental approach to determining the properties of materials has a number of limitations, primarily in the range of measurement conditions, especially in the melting region. Because of this, it is important to use theoretical approaches [11][12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28] to determine the properties of the materials under study, the main tool of which is the molecular dynamics method (MDM).…”

Section: Introductionmentioning

confidence: 99%

Atomistic modeling of the properties of gold in the region of phase transitions of the first order

Mazhukin

Koroleva

Demin

et al. 2022

The article presents the results of atomistic modeling of the equilibrium thermophysical properties of gold in a wide temperature range (T~ 0.3–3.50 kK), covering the regions of first-order phase transitions of melting and evaporation. The temperature dependences of the density, linear size of the sample, coefficient of linear expansion, enthalpy, and heat capacity are determined. The obtained dependences of the properties of gold are approximated by polynomials of low degrees. There is an acceptable agreement between the obtained characteristics of gold and the experimental data. Numerical and graphic information on the obtained properties and results of comparison with experimental data is presented.