从固体的表面张力出发，求得空位的形成能。
The formation energy of vacancy is calculated from, the surface tension of solid.
而不同的石墨烯面之间存在的表面能可以通过在晶界处形成空位或者位错环而得到降低。
The interface energy that exists between the sheets could be minimized by the grain boundaries by the formation of dislocations or pairs of rings.
这可能是由于在缺氧条件下样品表面形成了一种具有氧空位的扭曲结构，这种结构可以阻止四方相到单斜相的转变。
It is possible that oxygen vacancies formed in the surface region in the absence of oxygen can prevent the transformation from the tetragonal to the monoclinic phase.
本文提出了一种假想模型，认为液体表面存在一定数量的空位。
This article proposes a hypothetical model: a number of vacancies exist in the surface layer of liquid.
利用第一性原理赝势法，采用6层原子层的层晶模型研究了完整铜表面、含空位缺陷表面的性质。
Ab initio calculations are performed, using a slab model with 6 atom-layers, to investigate the character of clean surface, surface with vacancy.
用分子动力学方法模拟了空位在金刚石近(0 0 1)表面的扩散过程，研究了温度对空位扩散的影响。
The diffusion process of the vacancy near diamond (001) surface and the effects of temperature on the vacancy diffusion were investigated by molecular dynamics simulation.
当暴露于空气中时，表面氧空位能够捕获空气中的氧，有利于表面四方相转变为单斜相。
When the sample is exposed to air, the elimination of these vacancies by the incorporation of oxygen facilitates the transformation from the tetragonal to the monoclinic phase.
结果表明，当温度为10 0 0K左右时，位于近表面第二层上的空位开始向表面运动；
The results show that when the temperature is about 1000K, the vacancy in the second layer begins to diffuse to the surface.
结果表明，当温度为10 0 0K左右时，位于近表面第二层上的空位开始向表面运动；
The results show that when the temperature is about 1000K, the vacancy in the second layer begins to diffuse to the surface.
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