熔体冻结时的位移场及其在晶体生长动力学中的作用
The Displacement Field Associated with the Freezing of a Melt and its Role in Determining Crystal Growth Kinetics
摘要：
与冻结的金属和盐的原子位移计算处理晶体生长作为一个分配问题，通过使用最佳的运输算法。将这些位移转换成时间尺度的基础上的动力学的散装液体，我们表明，我们可以预测的激活能晶体生长速率，包括激活能显着小于那些在液体中的原子扩散。例外，这一成功，纯金属冻结成面心立方晶体很少或没有活化能，进行了讨论。分配算法产生的原子位移使我们能够量化晶体结构和液体笼长度在确定晶体生长动力学的温度依赖性的关键作用。
英文摘要：
The atomic displacements associated with the freezing of metals and salts are calculated by treating crystal growth as an assignment problem through the use of an optimal transport algorithm. Converting these displacements into time scales based on the dynamics of the bulk liquid, we show that we can predict the activation energy for crystal growth rates, including activation energies significantly smaller than those for atomic diffusion in the liquid. The exception to this success, pure metals that freeze into face centred cubic crystals with little to no activation energy, are discussed. The atomic displacements generated by the assignment algorithm allows us to quantify the key roles of crystal structure and liquid caging length in determining the temperature dependence of crystal growth kinetics.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
