APS -84th Annual Meeting of the APS Southeastern Section - Event - Algebraically Determining Rigid Unit Modes

Shae Machlus

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APS -84th Annual Meeting of the APS Southeastern Section - Event - Algebraically Determining Rigid Unit Modes

机译：APS -84TH APS东南部的年会 - 事件 - 代数决定刚性单位模式

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Application-critical properties of crystals are often either inhibited or permitted by rigid unit modes (RUM's). RUM's are tilting patterns in crystal lattices that displace atoms, and they signify structural phase transitions between polymorphs of a given crystal. Previous efforts have been made to identify RUM's in several important materials classes. Strategies have been employed such as ball-and-spring simulations, phonon-frequency calculations, and trial-and-error searches. But no methodology has been as simple or exhaustive as the algebraic approach developed by Prof. Branton Campbell's group at Brigham Young University during the past year.

机译：晶体的应用 - 关键性质通常被刚性单元模式（朗姆酒）抑制或允许。朗姆酒在晶格中的倾斜图案，其取代原子，它们表示给定晶体的多晶型物之间的结构相转变。以前的努力已经在几个重要的材料课程中识别朗姆酒。已经采用了策略，例如Ball-and Spring模拟，声子频率计算和试验和错误搜索。但没有任何方法是简单或彻底的，作为过去一年Branton Campbell教授在Branton Campbell的集团开发的代数方法。

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《Bulletin of the American Physical Society》 |2017年第13期|共页
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Shae Machlus;
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APS -84th Annual Meeting of the APS Southeastern Section - Event - Algebraically Determining Rigid Unit Modes

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