The wetting characteristics of molten Ag-Cu-Au on Cu substrates: a molecular dynamics study

Y Yang and YX Liang and J Bi and Y Bai and S He and BS Li, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 22, 25904-25917 (2020).

DOI: 10.1039/d0cp03337e

Ag-Cu-Au ternary alloys are promising solder materials for wire bonding. Limited experimental studies on Ag-Cu-Au materials can be found due to the high cost of gold. In this study, face-centered-cubic Cu(100), Cu(111), and Cu(110) substrates wetted by molten Ag45Cu42Au13 were investigated via molecular dynamics (MD). As demonstrated by melting simulation results, the Ag45Cu42Au13 alloy has a lower melting temperature compared to the eutectic alloy, Ag60Cu40. MD methods were also used to investigate the dissolutive characteristics of Ag45Cu42Au13/Cu wetting. Density profiles and contact angles show an increase in wettability in the Ag45Cu42Au13/Cu(100) wetting system. For molten Ag60Cu40 and Ag45Cu42Au13 the spreading behavior on Cu(100) shows a promoted tendency, which contrasts with both Cu(111) and Cu(110). Solid-liquid adhesion is indicative of the comparative spreading degrees. The contact angles and PMF analysis of wetting behaviors on rough and smooth Cu substrates illustrate that solid-liquid adhesion in Wenzel states is stronger than in Cassie wetting states.

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