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A STUDY OF SILICA GLASS FIBER STRUCTURE AND ELASTIC PROPERTIES, USING MOLECULAR DYNAMICS SIMULATIONS

机译:利用分子动力学模拟研究二氧化硅玻璃纤维的结构和弹性

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摘要

Silica whiskers and fibers, with diameters ranging from a few A to 20nm have been modeled using classical molecular dynamics simulations. The surface structure of square cross-sectioned fibers has been characterized in terms of structural defect species and their population as a function of depth from the surface. The behavior of a liber under tensile strain is described, and the atomic scale structural origin of fracture is discussed.
机译:使用经典的分子动力学模拟对直径范围从几A到20nm的硅须和纤维进行了建模。方形横截面纤维的表面结构已根据结构缺陷种类及其数量随距表面深度的变化进行了表征。描述了自由器在拉伸应变下的行为,并讨论了断裂的原子尺度结构起源。

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