Factors affecting the depth of the Earth’s surface on the heterogeneous dynamics of Cu1−x Nix alloy, x = 0.1, 0.3, 0.5, 0.7, 0.9 by molecular dynamics simulation method

Abstract

Listen

Translate article

This paper studies the influence factors of the Earth's surface such as: Impurity concentration of Ni in Cu , alloy, x = 0.1 (10%), 0.3 (30%), 0.5 (50%), 0.7 (70%), 0.9 (90%); Temperature (T), T = 300 K, 500 K, 600 K, 700 K, 900 K at pressure (P), P = 0 GPa; pressure P = 50 GPa, 100 GPa, 150 GPa, 200 GPa, 250 GPa, 300 GPa, 350 GPa, 400 GPa at T = (300 K, 550 K, 900 K); annealing time (t), t = 200 ps at the depth of the Earth’s surface (h), h = 273 km (300 K, 14.05 GPa), 546 km (550 K, 28.104 GPa), 820 km (900 K, 42.16 GPa) on the heterogeneous dynamics of Cu 1−x Ni x alloy by Molecular Dynamics (MD) simulation method with Sutton-Chen (SC) potential embedded and free boundary conditions. The results show, that for Cu 1−x Ni x alloy, there always exist links Cu-Cu, Cu-Ni, Ni-Ni, and 04 types of structural units: FCC (Face-Centered Cubic), HCP (Hexagonal Close-Packed), BCC (Body-Centered Cubic), Amor (Amorphous). When the impurities concentration of Ni in Cu 1−x Ni x alloy increases, structural units’ number of FCC, HCP, BCC, Amor change, and the largest crystallization process appears at the impurity concentration of Ni with x = 90%. When the temperature is increased, the structure of Cu 1−x Ni x alloy changes from the crystallization state to a liquid state, the crystallization temperature (T g ) identified as T g = 550 K. When increase pressure (P), the annealing time (t), then crystallization process occurs at T = 550 K faster than at T = 300 K and doesn’t occur at T = 900 K. Whereas increasing h leads to increasing E tot , structural units’ number of FCC, HCP and Amor decreases, which lead to the decreasing crystallize process of the Cu 10 Ni 90 alloys. The results obtained could be used as the basis for experimental research in the future. • We have studied the effect of Impurity concentration, T, P, h on the structure, the phase transition process of Cu 1−x Ni x alloy. • When increases P from P = 50 GPa to P = 400 GPa at T = 300, 550, 900 K leading to l increases, E tot increases, r changes. • When increases P at T = 300, 900 K then no change in the number of crystallize structure units, and at T = 550 K increase is huge, and been successfully determined glass temperature (T g ), T g = 550 K.