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This paper studies the effects of heating rate 4 × 10${}^{11}$ K/s, 4 × 10${}^{12}$ K/s, 4 × 10${}^{13}$ K/s; impurity concentration of Cu on Ni${}_{1-x}$Cu${}_x$ 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${}_{1-x}$Cu${}_x$ 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${}_{\mathrm{\text{tot}}}$), size (l) and common neighborhood analysis (CNA) method; temperature (T), crystallization temperature (T${}_g$), crystallization process through relationship between E${}_{\mathrm{\text{tot}}}$, T. The results showed Ni${}_{1-x}$Cu${}_x$ 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${}_{1-x}$Cu${}_x$ bulk moves from a crystalline state to an amorphous state. When increases impurity concentration of Cu in Ni${}_{1-x}$Cu${}_x$ 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${}_{1-x}$Cu${}_x$ bulk change.

The paper studies the effect of temperature ($T$), ($T=300$, 3200, 4000, 5000, 6000, 7000K) at pressure $P=0$GPa; pressure ($P$), ($P=0$, 100, 200, 300, 350, 400GPa) at $T=7000$K and thermal annealing time ($t$), $t=47.8$ps (after 10⁵ steps) at $T=7000$K, $P=400$Gpa) on the structure of MgSiO₃ bulk 3000 atoms by Molecular Dynamics (MD) simulation using Born–Mayer (BM) pair interaction potential and periodic boundary conditions. The structural results are analyzed through the Radial Distribution Function (RDF), the Coordination Number (CN), the angle distribution, size ($l$), total energy of the system ($E_{\mathrm{\text{tot}}}$) and the bonding lengths. The results show that the temperature and pressure had influenced the structural properties of MgSiO₃ bulk and formation process geology of the Earth. In addition, the center of the Earth with $T=7000$K and $P=350$GPa has appearance and disappearance of the Si–Si, Si–O, O–O, Si–Mg, O–Mg, Mg–Mg bonds and SiO₄, SiO₅, SiO₆, MgO₃, MgO₄, MgO₅, MgO₆, MgO₇, MgO₈, MgO₉, MgO${}_{10}$, MgO${}_{11}$, MgO${}_{12}$ angle distributions. When increasing the depth of the Earth’s surface $(h)$ lead to size $(l)$ of MgSiO₃ decreases, total energy of the system ($E_{\mathrm{\text{tot}}}$) increases, position of first peak of Radial Distribution Function (RDF) is $(r)$, height of RDF is $g(r)$ varies greatly with $h$ from $h=0$km to $h=1820$km, gradually decreasing with $h$ from $h=2000$km to $h=3200$km and the smallest structural change with $h>3200$km that shows has influence affects on the geological formation of the Earth.