Mô phỏng quá trình chuyển pha cấu trúc trong kim loại niken
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Abstract
In this paper, we present the molecular dynamics simulation results of structural phase transition in nickel (Ni) with the binary interaction of Pak-Doyama. This transition is analyzed with the radial distribution function of coordinated numeral distribution and that of Wendt-Abraham ratio gmin/gmax in accordance with the temperature and edge-length distribution of simplexes. The simulation result reveals that the temperature change from the liquid to the amorphous is Tg = 810 K. It shows the structural phase transition from liquid to amorphous is the result of distorting those standard simplexes found in the liquid phase.
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Keywords
Molecular dynamics, simplex, nickel, amorphous, liquid
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