Rapid Solidification Simulation And Microstructure Analysis Of Electronic Material Cu-Ag Alloy

The article describes the solidification process of the liquid alloy,the physical and chemical properties of the electrical material Cu-Ag alloy and the application in existing production and life.Based on molecular dynamics,the rapid solidification process of liquid Cu-Ag alloy is analysed under different conditions by PDF,average atomic energy,H-A bond type index,LSCA method and 3D visualization methods.These theoretical foundations and experimental methods help us better explore the evolution mechanism of metals that cannot be achieved under the existing experimental conditions.The first simulation research is under the same cooling rate and different proportion of Cu_xAg_(100-x)(x=10,20,30......90)alloy.The research find that Cu_xAg_(100-x)alloy in ultimate solid could be divided into critical crystalline,amorphous and light amorphous according to the second peak split of g(r)curves.In addition,the bonding formation ability of atoms,average atomic energy and CNS configuration entropy from low to high are critical crystalline,amorphous and light amorphous.The relationship between the average atomic energy and the wireless change of Cu content.The CNS configuration entropy analysis shows that the Cu-Ag alloy does not appear amorphous state configuration entropy higher than the critical crystalline.S444,S555,S666 which are constituted TCP clusters are closely related to average atomic energy and CNS configuration entropy.In the terminal temperature,two clusters in Cu_xAg_(100-x)with the largest number of S555 bond types besides TCP is the reason for affecting the state of the system.At the second part of the research,the rapid solidification of Cu₁₀Ag₉₀alloy is located at seven different pressures(0 GPa,5 GPa,10 GPa,20 GPa,30 GPa,40 GPa,50 GPa).The results shows that crystallization transition temperature T_cis closed to the pressure of Cu₁₀Ag₉₀,higher pressure can increase the crystallization transition temperature.The average atomic energy and the LSC configuration entropy at the end of the condensed solid state did not change linearly with the increase or decrease of pressure.The sensitivity of different crystals to pressure is different.FCC is easily formed at 20 GPa,0 GPa,and 5 GPa,and BCC is sensitive at 0 GPa,5 GPa,and 20GPa.In addition,the length of crystal defect has no obvious connection with crystalline,the dominant position of crystal defect length is 1/6<112>.Under 20 GPa,the system has the longest defect.The influence of six different cooling rates on the microstructure of liquid Cu₁₀Ag₉₀alloy is investigated by molecular dynamics(MD)simulation.A newly developed topologically close-packed(TCP)method is used to conduct an extensive structural analysis for crystalline and amorphous.It is found that the system exhibits an amorphous structure when the ratio of crystals to TCP clusters(R_c)is less than 1;otherwise,the structure is crystalline.The system is in the critical state of crystallization at the cooling rate 1×10¹¹K/s when R_cis closed to 1.The conversion efficiency of TCP to crystal atoms are always at a lower level than other atoms.The crystal and TCP clusters have numerous interconnections,and the primary connections are divided into four types on the basis of the number of atoms,including20(I₂₀),21(I₂₁),22(I₂₂)and 23(I₂₃)atoms.And the lower average atomic energy TCP clusters phase inhibit the growth and formation of crystal by these interconnections,because TCP contains more Cu atoms with lower energy than crystal.