To explore the complex thermal-mechanical-chemical behavior in the solid-liquid cast-roll bonding(SLCRB) of Cu/Al cladding strip, numerical simulations were conducted from both macro and micro scales. In macro-scale, ...To explore the complex thermal-mechanical-chemical behavior in the solid-liquid cast-roll bonding(SLCRB) of Cu/Al cladding strip, numerical simulations were conducted from both macro and micro scales. In macro-scale, with birth and death element method, a thermo-mechanical coupled finite element model(FEM) was set up to explore the temperature and contact pressure distribution at the Cu/Al bonding interface in the SLCRB process. Taking these macro-scale simulation results as boundary conditions, we simulated the atom diffusion law of the bonding interface by molecular dynamics(MD) in micro-scale. The results indicate that the temperature in Cu/Al bonding interface deceases from 700 to 320 ℃ from the entrance to the exit of caster, and the peak of contact pressure reaches up to 140 MPa. The interfacial diffusion thickness depends on temperature and rolling reduction, higher temperature results in larger thickness, and the rolling reduction below kiss point leads to significant elongation deformation of cladding strip which yields more newborn interface with fresh metal and make the diffusion layer thinner. The surface roughness of Cu strip was found to be benefit to atoms diffusion in the Cu/Al bonding interface. Meanwhile, combined with the SEM-EDS observation on the microstructure and composition in the bonding interface of the experimental samples acquired from the castrolling bite, it is revealed that the rolling reduction and severe elongation deformation in the solid-solid contact zone below kiss point guarantee the satisfactory metallurgical bonding with thin and smooth diffusion layer. The bonding mechanisms of reactive diffusion, mechanical interlocking and crack bonding are proved to coexist in the SLCRB process.展开更多
The structural and electronic properties of the ternary CuxAg1–xI, alloy have been calculated, using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory, within both the l...The structural and electronic properties of the ternary CuxAg1–xI, alloy have been calculated, using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory, within both the local density approximation and the generalized gradient approximation (GGA). The equilibrium lattice constants and the bulk modulus are compared with previous theoretical calculations. The concentration dependence of the electronic band structure and the direct-indirect band gaps is also investigated. Using the approach of Zunger and co-workers the microscopic origins of the gap bowing were also explained.展开更多
基金Funded by the General Program of National Natural Science Foundation of China(Nos.51474189 and 51674222)the Excellent Youth Foundation of Hebei Scientific Committee,China(No.E2018203446)the Scientific Research Foundation of the Higher Education Institutions of Hebei Province,China(No.QN2015214)
文摘To explore the complex thermal-mechanical-chemical behavior in the solid-liquid cast-roll bonding(SLCRB) of Cu/Al cladding strip, numerical simulations were conducted from both macro and micro scales. In macro-scale, with birth and death element method, a thermo-mechanical coupled finite element model(FEM) was set up to explore the temperature and contact pressure distribution at the Cu/Al bonding interface in the SLCRB process. Taking these macro-scale simulation results as boundary conditions, we simulated the atom diffusion law of the bonding interface by molecular dynamics(MD) in micro-scale. The results indicate that the temperature in Cu/Al bonding interface deceases from 700 to 320 ℃ from the entrance to the exit of caster, and the peak of contact pressure reaches up to 140 MPa. The interfacial diffusion thickness depends on temperature and rolling reduction, higher temperature results in larger thickness, and the rolling reduction below kiss point leads to significant elongation deformation of cladding strip which yields more newborn interface with fresh metal and make the diffusion layer thinner. The surface roughness of Cu strip was found to be benefit to atoms diffusion in the Cu/Al bonding interface. Meanwhile, combined with the SEM-EDS observation on the microstructure and composition in the bonding interface of the experimental samples acquired from the castrolling bite, it is revealed that the rolling reduction and severe elongation deformation in the solid-solid contact zone below kiss point guarantee the satisfactory metallurgical bonding with thin and smooth diffusion layer. The bonding mechanisms of reactive diffusion, mechanical interlocking and crack bonding are proved to coexist in the SLCRB process.
基金NNSFC&CAAC U1533203the key Technology R&D Program of Sichuan Province(No.2016GZ0068+4 种基金Science&Technology Department of Sichuan ProvinceChina)the Collaborative Innovation of Industrial Cluster Project of Chengdu(No.2016-XT00-00015-GX)Civil Aviation Airport United Laboratory of Second Research InstituteCAAC&&Sichuan University of Chengdu(No.2015-YF04-00050-JH)
文摘The structural and electronic properties of the ternary CuxAg1–xI, alloy have been calculated, using the full-potential linear muffin-tin-orbital (FP-LMTO) method based on density functional theory, within both the local density approximation and the generalized gradient approximation (GGA). The equilibrium lattice constants and the bulk modulus are compared with previous theoretical calculations. The concentration dependence of the electronic band structure and the direct-indirect band gaps is also investigated. Using the approach of Zunger and co-workers the microscopic origins of the gap bowing were also explained.
