Lattice defects in quinacridone

D. Brey, Barbara Scherer, M. Schmidt
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Abstract

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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喹吖酮的晶格缺陷
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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