Compression of H2O ice to 126 GPa and implications for hydrogen-bond symmetrization:: Synchrotron x-ray diffraction measurements and density-functional calculations
Compression of H2O ice to 126 GPa and implications for hydrogen-bond symmetrization:: Synchrotron x-ray diffraction measurements and density-functional calculations
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DOI：
10.1103/physrevb.77.214103
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发表时间：
2008-06-01
影响因子：
3.7
通讯作者：
Ohishi, Yasuo
中科院分区：
文献类型：
--
作者：
Sugimura, Emiko;Iitaka, Toshiaki;Ohishi, Yasuo
我们研究了体积压缩和相变的H2O冰的同步辐射X射线衍射测量和密度泛函计算的组合高达126 GPa。实验数据表明，冰在室温下在40和60 GPa下改变其压缩性，对应于从冰VII到动态无序冰VII和随后到动态无序冰X的相变。中间相，动态无序冰VII，是高度可压缩的，可能是由于质子的量子效应。相比之下，动态无序冰X和冰X显示出小得多的可压缩性。
We examined the volume compression and phase transformations of H2O ice by a combination of synchrotron x-ray diffraction measurements and density-functional calculations up to 126 GPa. The experimental data demonstrate that ice changes its compressibility at 40 and 60 GPa at room temperature, corresponding to the phase transitions from ice VII to dynamically disordered ice VII and subsequently to dynamically disordered ice X. The intermediate phase, dynamically disordered ice VII, is highly compressible, possibly due to quantum effects of protons. In contrast, dynamically disordered ice X and ice X show much smaller compressibility.