Science. 1992 Mar 20;255(5051):1559-61. doi: 10.1126/science.255.5051.1559.
Molecular dynamics simulations reveal the mechanism of the structural memory effect in alpha-berlinite (AlPO(4)), where a single crystal transforms to an amorphous solid by compression and then reverts to the original crystalline structure upon release of pressure. The enhanced oxygen coordination around the aluminum atoms in AlPO(4) at high pressure leads to a mechanical instability that causes the phase transformation. The difference in the structural memory behavior between AlPO(4) and isostructural alpha-quartz, for which the pressure-induced amorphized phase is recoverable, can be attributed to the presence of the PO(4) units, which remain essentially four-coordinated even when severely distorted.
分子动力学模拟揭示了α-鳞石英（AlPO(4)）中结构记忆效应的机制，其中单晶通过压缩转变为无定形固体，然后在释放压力时恢复为原始晶态结构。在高压下，AlPO(4)中铝原子周围增强的氧配位导致机械不稳定性，从而引起相变。AlPO(4)和同构的α-石英之间结构记忆行为的差异可以归因于 PO(4)单元的存在，即使在严重变形的情况下，PO(4)单元仍然保持基本的四配位。
