Quantitative analysis of dependence of structure of solid argon on rate of isobar cooling from liquid phase according to computer experiments

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By means of numerical experiment methods the present study establishes dependence of elementary cells concentration of crystalline structure in solid argon on rate of isobaric cooling when liquid phase of argon changes into solid state. The study found out that at isobar cooling at a rate of 108 K/s and below, argon crystallizes completely, at isobar cooling rates of 109-1010 K/s in glassy argon, the combination of elementary cells of the crystalline structure in clusters is observed, and at speeds of 1011 K/s and above at pressures of 1 MPa and below, solid phases of argon are formed and no cells of the crystalline structure are detected. Assessment of the orientation of transmission axes of the crystal cells in the particle coordinate array made it possible to classify the solid phases formed as a result of cooling as single crystals, glass-like media with the inclusion of clusters and single cells of FCC structures.

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Molecular dynamics, voronoi partition, wigner-seitz cell, crystallization, glass transition

Короткий адрес: https://sciup.org/142240097

IDR: 142240097   |   DOI: 10.53980/24131997_2023_4_106

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