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Crystal imperfections in ice Ih.
The Journal of Chemical Physics ( IF 4.4 ) Pub Date : 2020-09-15 , DOI: 10.1063/5.0019067
Maurice de Koning 1
Affiliation  

In this paper, we present an overview of crystal imperfections in ice Ih. Due to its molecular nature, the fundamental asymmetry of the hydrogen bond, and proton disorder, crystal defects in this condensed form of water reveal a complexity not usually seen in atomic crystalline solids. The discussion is organized in terms of the spatial extent of the defects. We start with zero-dimensional imperfections such as the molecular vacancy and interstitial, Bjerrum, and ionic defects, as well as possible defect complexes that can be formed from them. Subsequently, we turn to the properties of dislocations, which are the one-dimensional disturbances that carry plastic deformation in crystalline solids. Finally, we discuss two-dimensional defects such as stacking faults and grain boundaries and discuss to what extent the latter are similar to other interfaces in ice Ih such as the free surface. We conclude with an outlook at the road ahead, discussing future challenges toward understanding the role of crystal defects in the macroscopic behavior of ice Ih.

中文翻译:

冰中的晶体缺陷Ih。

在本文中,我们提出了晶体缺陷的概述在冰我ħ。由于其分子性质,氢键的基本不对称性和质子紊乱,这种冷凝形式的水的晶体缺陷显示出通常在原子晶体固体中不常见的复杂性。讨论是根据缺陷的空间范围来组织的。我们从零维缺陷开始,例如分子空位和间隙,Bjerrum和离子缺陷,以及可能由它们形成的缺陷复合物。随后,我们转到位错的性质,这是在晶体固体中进行塑性变形的一维扰动。最后,我们讨论二维缺陷如堆垛层错和晶界,并讨论到什么程度后者类似于在冰我其他接口ħ例如自由表面。最后,我们在前进的道路进行了展望,讨论对理解中的冰我的宏观行为晶体缺陷的作用,未来的挑战^ h
更新日期:2020-09-21
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