氦-4中空位和杂质作用的经典图象
A classical picture of the role of vacancies and interstitials in Helium-4
摘要：
受氦-4超固体实验线索的启发，我们对经典二维和三维Lennard-Jones固体中的空位和杂质进行了蒙特卡罗模拟。我们证实了一个强大的结合能的空缺，这是伦纳-琼斯吸引力的顺序。这让人想起在量子蒙特卡罗模拟中发现的空位。另外，在二维模拟中，我们发现了强的吸引力和大的束缚能。这主要是由于聚集的位错形成一对位错，使弹性形变能最小化。我们根据氦-4的性质解释了结果。
英文摘要：
Motivated by experimental hints for supersolidity in Helium-4, we perform Monte Carlo simulations of vacancies and interstitials in a classical two-and three-dimensional Lennard-Jones solid. We confirm a strong binding energy of vacancies which is of the order of Lennard-Jones attraction. This is reminiscent of what has been found for vacancies in Quantum Monte Carlo simulations. In addition, we find a strong attraction and large binding energy of interstitials in two-dimensional simulations. This is mainly due to the formation of a pair of dislocations by clustering interstitials, in which minimizes the elastic deformation energy. We interpret the results in light of the properties of Helium-4.
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