Morphogenesis of Crystal Structures in the Discrete Modeling of Packings

V. G. Rau; V. G. Zhuravlev; T. F. Rau; A. V. Maleev

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Morphogenesis of Crystal Structures in the Discrete Modeling of Packings

机译：包装的离散建模中晶体结构的形态发生

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Within the framework of the discrete modeling of molecular packings, a metric approach to the investigation of the mechanisms of crystal formation is proposed. This method is based on the construction of a combination of polyhedra in a space in which the space division into polyhedra (or the periodic packing of polyhedra) is specified by the multistage addition to the initial "seeding" polyhedron set of this division (packing) of the adjacent polyhedra. crystal growth is modeled using the constructions of bounding boxes in the division of the plane into polyominoes and the three-dimensional space, into polycubes. The formation of phenomenological polygons (polyhedra) in the growth of periodic structures is revealed and theoretically grounded.

机译：在分子堆积的离散建模框架内，提出了一种用于研究晶体形成机理的度量方法。此方法基于在空间中多面体的组合的构造，在该空间中，通过将多级附加到该部分的初始“种子”多面体集合（填充）中，将空间划分为多面体（或多面体的周期性堆积）相邻的多面体。使用边界框的结构模拟晶体的生长，该边界框将平面划分为多米诺骨，将三维空间划分为多立方体。周期性结构的增长中现象学多边形（多面体）的形成被揭示并在理论上扎根。

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《Crystallography reports》 |2002年第5期|共4页
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V. G. Rau; V. G. Zhuravlev; T. F. Rau; A. V. Maleev;
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1. Morphogenesis of Crystal Structures in the Discrete Modeling of Packings [J] . V. G. Rau, V. G. Zhuravlev, T. F. Rau, Crystallography reports . 2002,第5期

机译：包装的离散建模中晶体结构的形态发生
2. Generation of crystal structures of heteromolecular compounds by the method of discrete modeling of packings [J] . Maleev AV, Zhitkov IK, Rau VG Crystallography reports . 2005,第5期

机译：通过填料的离散建模方法生成杂分子化合物的晶体结构
3. Discrete element modeling of pebble bed packing structures for HCCB TBM [J] . Gong Baoping, Feng Yongjin, Liao Hongbin, Fusion Engineering and Design . 2017,第octa期

机译：HCCB TBM卵石床填料结构的离散元建模
4. Packing Models for Multi-Domain Biomolecular Structures in Crystals with P2_12_12_1 Space-Group Symmetry [C] . Yan Yan, Gregory S. Chirikjian AAAI Workshop on Artificial Intelligence and Robotics Methods in Computational Biology . 2013

机译：具有P2_12_12_1空间组对称性的晶体中多域生物分子结构的包装模型
5. Understanding the Deformation Mechanisms in Nanostructured Metals by a Novel Discrete Crystal Plasticity Finite Element Model [D] . Yuan, Rui. 2017

机译：一种通过新型离散晶体可塑性有限元模型理解纳米结构金属中的变形机制
6. A cooperative model for receptor recognition and cell adhesion: evidence from the molecular packing in the 1.6-A crystal structure of the pheromone Er-1 from the ciliated protozoan Euplotes raikovi. [O] . M S Weiss, D H Anderson, S Raffioni, 1995

机译：受体识别和细胞粘附的合作模型：纤毛虫原生动物Euplotes raikovi信息素Er-1的1.6-A晶体结构中的分子堆积证明了这一点。
7. Discrete element modelling of the packing of spheres and its application to the structure of porous metals made by infiltration of packed beds of NaCl beads [O] . Langston P., Kennedy Andrew R. 2014

机译：球形填充物的离散元建模及其在渗透氯化钠填充床的多孔金属结构中的应用

Morphogenesis of Crystal Structures in the Discrete Modeling of Packings

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