论文标题
压力诱导的钒的结构相变：从合奏理论的角度重新审视
Pressure-induced structural phase transition of vanadium: A revisit from the perspective of ensemble theory
论文作者
论文摘要
对于逼真的晶体，由于难以解决分区函数的高维度积分，因此几乎无法获得在整体理论中严格提出的自由能，其困境甚至使严格的集成理论适用于冷凝问题的相位过渡，这甚至使人们怀疑。在目前的工作中，在室温下最高$ 320 $ GPA的压缩下的水晶钒的分区函数是通过最近开发的方法来解决的，并且派生的状态方程与所有实验尺寸既一致，尤其是涵盖最大压力的最新压力范围为300美元$ 300 $ GPA。此外，衍生的Gibbs自由能证明了一个论点，即了解过去十年中关于压力引起的相变的大多数实验，尤其是，涉及三个不同阶段的新型相变序列，以及最近观察到的三个不同阶段，并且两个阶段的测量角度与我们的理论结果非常吻合。
For realistic crystals, the free energy strictly formulated in ensemble theory can hardly be obtained because of the difficulty in solving the high-dimension integral of the partition function, the dilemma of which makes it even a doubt if the rigorous ensemble theory is applicable to phase transitions of condensed matters. In the present work, the partition function of crystal vanadium under compression up to $320$ GPa at room temperature is solved by an approach developed very recently, and the derived equation of state is in a good agreement with all the experimental measurements, especially the latest one covering the widest pressure range up to $300$ GPa. Furthermore, the derived Gibbs free energy proves the very argument to understand most of the experiments reported in the past decade on the pressure-induced phase transition, and, especially, a novel phase transition sequence concerning three different phases observed very recently and the measured angles of two phases agree with our theoretical results excellently.
