Pressure-induced structural change in liquid GaIn eutectic alloy.
Pressure-induced structural change in liquid GaIn eutectic alloy.
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液态 GaIn 共晶合金中压力引起的结构变化
DOI：
10.1038/s41598-017-01233-1
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发表时间：
2017-04-25
影响因子：
4.6
通讯作者：
Jiang JZ
中科院分区：
文献类型：
--
作者：
Yu Q;Ahmad AS;Ståhl K;Wang XD;Su Y;Glazyrin K;Liermann HP;Franz H;Cao QP;Zhang DX;Jiang JZ
同步加速器 X 射线衍射显示，当室温下在金刚石砧室中将液态 GaIn 共晶合金压缩至约 13 GPa 时，会在约 3.4 GPa 的压力下诱导结晶，并在接近 10.3 GPa 时发生多晶型转变。减压时，高压结晶相几乎保持不变，直到在 2.3GPa 左右转变为液态。 Theab 初始分子动力学计算可以重现低压结晶，并为理解原子水平上的液相和晶相之间的转变提供一些提示。计算出的对相关函数 g(r) 显示出由短（第 1 壳）和中间（第 2 至第 4 壳）之间不同的压缩性反映的非均匀收缩。结论是，压力引起的液晶相变可能是由最近邻居的局部原子堆积以及转变压力下的电子结构的变化引起的。
Synchrotron x-ray diffraction reveals a pressure induced crystallization at about 3.4 GPa and a polymorphic transition near 10.3 GPa when compressed a liquid GaIn eutectic alloy up to ~13 GPa at room temperature in a diamond anvil cell. Upon decompression, the high pressure crystalline phase remains almost unchanged until it transforms to the liquid state at around 2.3 GPa. Theab initiomolecular dynamics calculations can reproduce the low pressure crystallization and give some hints on the understanding of the transition between the liquid and the crystalline phase on the atomic level. The calculated pair correlation functiong(r) shows a non-uniform contraction reflected by the different compressibility between the short (1st shell) and the intermediate (2nd to 4th shells). It is concluded that the pressure-induced liquid-crystalline phase transformation likely arises from the changes in local atomic packing of the nearest neighbors as well as electronic structures at the transition pressure.