Vacancies and hydrogen trapping in the LaNi5-Deuterium system.

In a real material the surrounding atoms relax towards a vacancy owing to the removal of the repulsive core of the interatomic potential of the missing atom. This systematic...在真实材料中，由于缺失原子的原子间势（interatomic potential）的排斥芯（repulsive core）被移除，周围的原子会朝着空位（vacancy）发生弛豫。这一系统性……