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摘要: 通过测量相同时间、不同温度下制备的W/Ti扩散偶成分和显微硬度,研究了W–Ti合金的扩散特性和机理,计算了W/Ti互扩散系数(单位:cm2·s-1),并利用MS软件对Ti原子数分数为12.5%~50%的W–Ti二元合金的能量、电子结构进行了理论计算。结果表明:W与Ti发生互扩散,其中W在Ti中的扩散速度远高于Ti在W中的扩散速度;在1100~1300℃时,W基固溶体中的互扩散系数公式为2.6×10-5exp(-385.3/kT),Ti基固溶体中的互扩散系数公式为4.1×10-2exp(-285.1/kT),其中,T为扩散温度,k为扩散距离;随着Ti原子数分数的升高,W–Ti合金的β结构稳定性降低。Abstract: The composition and microhardness of W/Ti diffusion couple prepared at different temperatures in the sameholding time were analyzed to study the interdiffusion of W–Ti alloy, the W/Ti interdiffusion coefficients were calculated, and the energy and electronic structure of W–Ti binary alloy in the Ti atomic fraction of 12.5%~50% were calculated by MS software. The results show that the diffusion speed of W in Ti is farhigher than the diffusion speed of Ti in W. The W/Ti interdiffusion coefficient equations (unit: cm2·s-1) at 1100~1300℃ in tungsten and titanium solid solutions are expressed as 2.6×10-5exp(-385.3/kT) and 4.1×10-2exp(-285.1/kT), respectively, T is diffusion temperature, k is diffusion distance; the β phase stability of W–Ti alloy decreases monotonously with the increasing of Ti content.
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Key words:
- W–Ti alloy /
- interdiffusion /
- microhardness /
- first-principle
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表 1 不同温度条件下W-Ti合金中不同区域的互扩散系数
Table 1. Interdiffusion coefficients of W-Tialloy in different areas at different temperatures
温度/℃ Ti基固溶体互扩散系数/(cm2·s−1) W基固溶体互扩散系数/(cm2·s−1) 1100 5.1×10−11 9.2×10−14 1200 3.2×10−10 9.5×10−13 1300 1.4×10−9 7.5×10−12 表 2 Ti和W基固溶体中的扩散激活能和互扩散系数公式
Table 2. Activation energy and interdiffusion coefficient equation of Ti/W solid solution
相名称 预扩散系数/ (cm2·s−1) 扩散激活能/ (kJ·mol−1) 互扩散方程/ (cm2·s−1) Ti 4.1×10−2 285.1 4.1×10−2exp(−285.1/kT) W 2.3×10−5 385.3 2.6×10−5exp(−385.3/kT) 注:k—扩散距离,T—扩散温度。 -
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