Atomistic analysis of the thermomechanical properties of Sn–Ag–Cu solder materials at the nanoscale with the MEAM potential

Tuning the mechanical properties of functionally graded nickel and aluminium alloy at the nanoscale

“…Then the system has been placed into the NPT ensemble where the temperature of the system has been increased from 300 K to 2500 K within 150 ps by keeping the pressure at 1 bar. 76,77 During temperature rise, the change in the total energy of the Ni 3 Al system has been recorded and further analyzed to get a better perception of the melting point. 76 Fig.…”

“…76,77 During temperature rise, the change in the total energy of the Ni 3 Al system has been recorded and further analyzed to get a better perception of the melting point. 76 Fig. 3(b) displays the melting point of Ni 3 Al by showing the change in the total energy concerning temperature.…”

Atomistic simulations of Ag–Cu–Sn alloys based on a new modified embedded-atom method interatomic potential

“…Although atomistic simulations on the SA and SAC alloys on the soldering applications are highly desirable, relevant interatomic potentials are currently not available. There were two reported potentials for the Ag-Cu-Sn system based on the modified embedded-atom method (MEAM) model [16] presented in the previous works by Sellers et al [17] and Motalab et al [18]. For the constituent binary systems, there were reported MEAM potentials for the Cu-Sn binary system suggested by Aguilar et al [19], Cheng et al [20], and Liang et al [21].…”

“…However, the MEAM potential for pure Sn developed by Ravelo and Baskes [23], which underlies the previous development of alloy potentials [17][18][19][20][21][22], exhibits deficiencies in reproducing properties of the β-Sn phase that is stable at ambient conditions [24]. Moreover, the previous MEAM potentials for alloy systems [17][18][19][20][21][22] were not developed considering various physical properties of binary and ternary alloy systems, and the optimization of potential parameters was not systematically performed.…”

“…However, the MEAM potential for pure Sn developed by Ravelo and Baskes [23], which underlies the previous development of alloy potentials [17][18][19][20][21][22], exhibits deficiencies in reproducing properties of the β-Sn phase that is stable at ambient conditions [24]. Moreover, the previous MEAM potentials for alloy systems [17][18][19][20][21][22] were not developed considering various physical properties of binary and ternary alloy systems, and the optimization of potential parameters was not systematically performed. For example, the binary potential parameters were determined by only focusing on selected properties (e.g., lattice constant and bulk modulus) of hypothetical L1 2 compounds, which are directly associated with the adjustable binary potential parameters of the MEAM model.…”