采用分子动力学模拟了Fe99Cu1合金在1×1014 K/s冷速下从fcc奥氏体结构转变为bcc铁素体结构的相变过程。结果表明,Fe99Cu1合金在900~800℃之间开始发生相变,600℃时相变明显,100℃时55%的原子转变为bcc结构。Cu元素阻碍合金相变,并且促进bcc孪晶形成。
Molecular dynamics (MD) simulation was used to study the phase transformation from fcc austenite to bcc ferrite of Fe99CuI alloy continuously cooled at a rate of 1 × 10^14 K,/s. The results showed that the start temperature of the phase transformation located between 900℃ and 800℃. The phase transformation was obviously at 600℃ and the total amount of bce atoms was 55 % at 100℃. Cu atoms precluded the phase transformation from fcc austenite to bcc ferrite and contributed to the formation of bcc twin.