Effect of heating rate, impurity concentration of Cu, atomic number, temperatures, time annealing temperature on the structure, crystallization temperature and crystallization process of Ni1-xCux bulk; x=0.1, 0.3, 0.5, 0.7

摘要

This paper studies the effects of heating rate 4 x 10(11) K/s, 4 x 10(12) K/s, 4 x 10(13) K/s; impurity concentration of Cu on Ni1-xCux bulk with x = 0.1, x = 0.3, x = 0.5, x = 0.7; atom number (N), N = 4000 atoms, 5324 atoms, 6912 atoms, 8788 atoms at temperatures (T), T = 300 K; N = 6912 atoms at T = 300 K, 400 K, 500 K, 600 K, 700 K, 800 K; N = 6912 atoms at T = 600 K after time annealing temperature (t), t = 500 ps on the structure, crystallization temperature and crystallization process of Ni1-xCux bulk by molecular dynamics (MD) method with interactive embedding Sutton-Chen (ST) and periodic boundary conditions. The structural characteristics were analyzed through radial distribution function (RDF), energy total (E-to(t)), size (1) and common neighborhood analysis (CNA) method; temperature (T), crystallization temperature (T-g), crystallization process through relationship between E-to(t), T. The results showed Ni1-xCux bulk and links Ni-Ni, Ni-Cu, Cu-Cu always exist in 03 types structures: FCC, HCP, Amor. When time annealing temperature increases then Ni1-xCux bulk moves from a crystalline state to an amorphous state. When increases impurity concentration of Cu in Ni1-xCux bulk, then the structure unit number FCC, HCP decreases and then increases, structure unit number Amor increases and then decreases. When atom number (N) increases, decreasing T and increasing time annealing temperature lead to structure unit number FCC, HCP increases, Amor decreases and structural, crystallization temperature, crystallization process of Ni1-xCux bulk change.