水在钢铁淬火冷却过程中的分子动力学模拟

Molecular dynamics simulation of water on quenching of steel

应用分子动力学结合有限元的方法对冷却介质水在45钢淬火过程中的运动状态进行了模拟计算,结果表明试件淬火冷却开始时,与高温45钢表面接触的冷却介质瞬间被汽化,温度迅速升高,高温介质体积膨胀上浮出液态介质将热量散发到环境中,少部分来不及浮出的高温介质将热量传给低温介质。这与现阶段普遍认同的淬火冷却阶段划分理论相一致,而介质温度随时间的变化规律和介质微观运动轨迹进一步表明数值模拟结果与工程实际应用工况基本一致。

Molecular dynamics simulation and finite element methods were employed to study the behaviour of water molecular in the process of quenching of 45 steel.The results show that the contact surfaces between water and 45 steel were boiled momentarily at the beginning of quenching.At the same time,the temperature of water around the sureface of steel part increases quickily.The inflated water with higher temperature rises to surface of the liquid,and the most of heat is emitted to environment and the remains of heat is transfered to the water with lower temperature.The simulation is agree with experimental observation.