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−xNi_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−xNi_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−xNi_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−xNi_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 Cu₁₀Ni₉₀ alloys. The results obtained could be used as the basis for experimental research in the future.

本文研究了地球表面的影响因素如：Cu 、合金中Ni的杂质浓度，x=0.1（10%）、0.3（30%）、0.5（50%）、0.7（70%）、0.9（ 90%); 温度 (T)，T = 300 K、500 K、600 K、700 K、900 K 压力 (P)，P = 0 GPa；压力 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); 退火时间 (t), t = 200 ps 在地球表面深度 (h), h = 273 km (300 K, 14.05 GPa), 546 km (550 K, 28.104 GPa), 820 km (900 K, 42.16 GPa)通过分子动力学 (MD) 模拟方法在 Cu _1-x Ni _x合金的异质动力学上使用 Sutton-Chen (SC) 势嵌入和自由边界条件。结果表明，对于 Cu _1−x Ni _x合金，总是存在联系的Cu-Cu、Cu-Ni、Ni-Ni，以及04种结构单元：FCC（面心立方）、HCP（六角密堆积）、BCC（体心立方）、Amor （无定形）。当Cu _1-x Ni _x合金中Ni的杂质浓度增加时，FCC、HCP、BCC、Amor的结构单元数发生变化，最大的结晶过程出现在Ni的杂质浓度x=90%处。当温度升高时，Cu _1-x Ni _x合金的结构由结晶态转变为液态，结晶温度（T _g）记为 T _g= 550 K。当增加压力 (P)、退火时间 (t) 时，结晶过程在 T = 550 K 时比在 T = 300 K 时发生得更快，并且在 T = 900 K 时不会发生。而增加 h 导致随着E _tot的增加，FCC、HCP和Amor的结构单元数量减少，导致Cu ₁₀ Ni ₉₀合金的结晶过程减少。所得结果可作为今后实验研究的基础。