INFLUENCE OF PRESSURE AND ATOMIC CONCENTRATION ON STRUCTURE AND MECHANICAL PROPERTIES OF CuNi ALLOY BY MOLECULAR DYNAMICS SIMULATION

DOI: 10.18173/2354-1059.2020-0029

  • Nguyen Thi Thao
  • Trinh Thi Thu Hang
Từ khóa: molecular dynamics, CuNi alloy, CNA method, structure, mechanical properties.

Tóm tắt

The structure and mechanical properties of Cu80Ni20 and Cu50Ni50 alloys with the size of 4000 atoms have been investigated using molecular dynamic (MD) simulation. The interactions between atoms of the system were calculated by the Sutton-Chen type of embedded atom method. Using a cooling rate of 0.01 K\ps, we find that both Ni and Cu atoms are crystallized into face centered cubic (fcc) and the hexagonal close packed (hcp) phases when the sample was cooled down to 300 K. The atomic concentration of CuNi alloy samples have a different effect on this crystallization. The transformation to the crystalline phase is analyzed through the Common Neighbor Analysis (CNA) methods. Furthermore, we focus on the dependence of the mechanical properties of CuNi alloy on pressure and atomic concentration 

điểm /   đánh giá
Phát hành ngày
2021-05-10
In ra
Tập. 6 Số. 65 (2020)
Chuyên mục
BAI BÁO