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

Abstract

This paper studies the effects of heating rate 4 × 10[Formula: see text] K/s, 4 × 10[Formula: see text] K/s, 4 × 10[Formula: see text] K/s; impurity concentration of Cu on Ni[Formula: see text]Cu[Formula: see text] 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 Ni[Formula: see text]Cu[Formula: see text] 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[Formula: see text]), size (l) and common neighborhood analysis (CNA) method; temperature (T), crystallization temperature (T[Formula: see text]), crystallization process through relationship between E[Formula: see text], T. The results showed Ni[Formula: see text]Cu[Formula: see text] bulk and links Ni–Ni, Ni–Cu, Cu–Cu always exist in 03 types structures: FCC, HCP, Amor. When time annealing temperature increases then Ni[Formula: see text]Cu[Formula: see text] bulk moves from a crystalline state to an amorphous state. When increases impurity concentration of Cu in Ni[Formula: see text]Cu[Formula: see text] 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 Ni[Formula: see text]Cu[Formula: see text] bulk change.

The Structure and Crystallizing Process of NiAu Alloy: A Molecular Dynamics Simulation Method

“…Berendsen et al [65] have identified the transition temperature (T m ) of NiAu ranges from T m = 1100 K to T m = 1300 K with Au impurity concentration of 58% [66]. Combined with our recent results as Al [67], FeNi [68], AlNi [69], Ni 1−x Fe x [70], Ni 1−x Cu x [71], Ni [72,73], these results show that the transition temperature (T m ) of Ni material; T m is always proportional with atom number (N), N −1/3 [74,75], and the electronic structure of AuCu [76] and AgAu [77]. The phase transition of Ni material can be determined by stress or temperature [78][79][80][81], and the bonding length of Ni-Ni determined by the experimental method is r = 2.43 Å [82], while the simulation method of Dung, N.T is r = 2.45 Å [73], and P.H.…”

Study of Nonlinear Deformation of FCC‐AuCuSi under Pressure by the Statistical Moment Method

“…e limit of elastic deformation σ e � E ABC ε e of alloy ABC is determined by [9] σ e � E ABC ε e � σ 0ABC ε α e 1 + ε e . (19) Here E ABC is Young's modulus of alloy ABC and has the form [5,6]…”

“…Deformation mechanisms in the mechanical response of nanoporous gold are investigated by molecular dynamics simulations [16]. In addition, in recent years, some researchers have considered factors affecting the structure, the phase transformation, and the crystallization process of alloys AuCu [17], NiCu [18,19], and AgCu [20].…”

Ab Initio Calculations on the Structural and Electronic Properties of AgAu Alloys

“…have successfully investigated the effect of Au dopant concentration on the optical properties of AgAu alloy. 18 Besides, in recent years, we have also studied the effects of heating rate, doping concentration, atom number, temperature of the structure, electronic structure, phase transition, and crystallization of alloys AuCu, 2 2 AlNi, 19 NiCu, 20 , 21 and FeNi. 22 23 The results obtained show that when the heating rate increases, the alloy changes from liquid state to amorphous state and vice versa, and that when the atom number increases, size increases and the energy of the system decreases.…”