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Morphology of synthetic chrysoberyl and alexandrite crystals: Analysis of experimental data and theoretical modeling

机译:合成金绿宝石和变石晶体的形态:实验数据分析和理论建模

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摘要

A morphological analysis of chrysoberyl and alexandrite crystals obtained by flux crystallization has been performed. Seven morphological types of crystals are selected. The surface energies of the faces of chrysoberyl and alexandrite crystals and their isostructural analogs, BeCr _2O _4 and BeFe _2O _4, have been calculated by atomistic computer modeling using the Metadise program. A "combined" approach is proposed which takes into account both the structural geometry and the surface energy of the faces and thus provides better agreement between the theoretical and experimentally observed faceting of chrysoberyl and alexandrite crystals.
机译:对通过助熔剂结晶得到的金绿石和变石晶体进行了形态分析。选择了七种形态的晶体。使用Metadise程序通过原子计算机模型计算了金绿宝石和变石晶体及其同构类似物BeCr _2O _4和BeFe _2O _4的表面的表面能。提出了一种“组合”方法,该方法兼顾了表面的结构几何形状和表面能,从而在金绿柱石和变石晶体的理论和实验观察方面提供了更好的一致性。

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