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喹吖酮的晶格缺陷

Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials Pub Date : 2022-09-09 DOI:10.1107/s205252062200779x
D. Brey, Barbara Scherer, M. Schmidt
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引用次数: 0

摘要

采用晶格能最小化方法模拟了喹吖酮(C20H12N2O2) α - i相中的各种晶格缺陷，包括空位、层错、螺旋位错和边缘位错、孪晶和取向错误。计算结果表明，整个链条的孪生和定向故障发生频率最高。
本文章由计算机程序翻译，如有差异，请以英文原文为准。
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Lattice defects in quinacridone
Various lattice defects in the αI-phase of quinacridone (C20H12N2O2) were simulated using lattice-energy minimizations, including vacancies, stacking faults, screw and edge dislocations, twinning and orientational faults. Twinning and orientational faults of entire chains were calculated to occur most frequently.
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Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials
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