Tên bài báo: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
This paper studies the effects of heating rate 4 × 1011 K/s, 4 × 1012 K/s, 4 × 1013 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 (Etot), size (l) and common neighborhood analysis (CNA) method; temperature (T), crystallization temperature (Tg), crystallization process through relationship between Etot, 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.
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