Atomic density function simulations of crystal growth kinetics of FCC crystal and BCC-FCC transition

机译：FCC晶体和BCC-FCC转变的晶体生长动力学的原子密度函数模拟

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Spontaneous self-assembling of interacting atoms prototyping crystallization and reconstructive phase transitions in crystalline state is discussed in terms of Atomic Density Function (ADF) theory. It is demonstrated that a multi-mode potential can reproduce any crystal structure. 3D computer modeling of formation of the FCC crystal and crystal lattice rearrangement in the FCC→BCC transformation is presented.

机译：根据原子密度函数（ADF）理论，讨论了相互作用原子的自发自组装，以原型化结晶和晶体状态下的重构相变。证明了多模式电势可以再现任何晶体结构。提出了FCC→BCC变换中FCC晶体形成和晶格重排的3D计算机建模。

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《Conference on Phase Transformations in Inorganic Materials;PTM》|2012年|p.1234-1239|共6页
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Marilyne Certain; Helena Zapolsky; Armen G. Khachaturyan;
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中图分类工程材料一般性问题;
关键词
atomic density function theory; reconstructive transitions; crystal growth; modeling;

机译：原子密度函数理论重建过渡;晶体生长造型;

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专利

1. Atomic Density Function simulations of crystal growth kinetics of FCC crystal and BCC-FCC transition [J] . Certain M., Zapolsky H., Khachaturyan A.G. Diffusion and Defect Data. Solid State Data, Part B. Solid State Phenomena . 2011,第Pta2期

机译：FCC晶体和BCC-FCC转变的晶体生长动力学的原子密度函数模拟
2. Shear moduli in bcc-fcc structure transition of colloidal crystals [J] . Zhou Hongwei, Xu Shenghua, Sun Zhiwei, The Journal of Chemical Physics . 2015,第14期

机译：胶体晶体的bcc-fcc结构转变中的剪切模量
3. Shear moduli in bcc-fcc structure transition of colloidal crystals [J] . Zhou Hongwei, Xu Shenghua, Sun Zhiwei, The Journal of Chemical Physics . 2015,第14期

机译：胶体晶体的bcc-fcc结构转变中的剪切模量
4. Atomic density function simulations of crystal growth kinetics of FCC crystal and BCC-FCC transition [C] . Marilyne Certain, Helena Zapolsky, Armen G. Khachaturyan Conference on Phase Transformations in Inorganic Materials . 2011

机译：FCC晶体晶体生长动力学的原子密度函数模拟及BCC-FCC转变
5. Lattice kinetic Monte Carlo modeling and simulation of atomic aggregation in crystals. [D] . Dai, Jianguo. 2008

机译：晶格动力学蒙特卡洛建模和晶体中原子聚集的模拟。
6. Kinetically-Controlled Growth of Chestnut-Like Au Nanocrystals with High-Density Tips and Their High SERS Performances on Organochlorine Pesticides [O] . Xia Zhou, Qian Zhao, Guangqiang Liu, 2018

机译：具有高密度尖端的栗样金纳米晶体的动力学控制生长及其对有机氯农药的高SERS性能
7. Growth kinetics of NaCl crystals in a drying drop of gelatin: transition from faceted to dendritic growth [O] . Choudhury, Moutushi Dutta, Dutta, Tapati, Tarafdar, Sujata 2015

机译：在明胶干燥滴中NaCl晶体的生长动力学：转变从多面到树枝状的增长
8. Stacking Fault Growth of FCC Crystal: The Monte-Carlo Simulation Approach. [R] . Jian Jianmin,, Ming Naiben, 1988

机译：FCC晶体的堆积故障增长：monte-Carlo模拟方法。

Atomic density function simulations of crystal growth kinetics of FCC crystal and BCC-FCC transition

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