Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction

Liu Yingzhe; Yu Tao; Lai Weipeng; Ma Yiding; Cao Yilin; Liu Ning; Ge Zhongxue; Zhao Fengqi

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Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction

机译：解密溶剂对精力学预测的能量材料晶体生长的影响

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A new strategy for the accurate morphology prediction of energetic material crystals was proposed in the theoretical framework of the attachment energy model; namely, the "averaged" attachment energies are replaced by the binding energies at the adsorption sites that were found by computational simulations to be the crucial factor to determine the crystal growth rate.

机译：在附着能量模型的理论框架中提出了一种新的精确形态学预测的新策略; 即，“平均”附着能量被通过计算模拟发现的吸附位点处的结合能量代替，以确定晶体生长速率的关键因素。

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《Crystal growth & design》 |2020年第2期|共4页
作者
Liu Yingzhe; Yu Tao; Lai Weipeng; Ma Yiding; Cao Yilin; Liu Ning; Ge Zhongxue; Zhao Fengqi;
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作者单位

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst State Key Lab Fluorine &

Nitrogen Chem Xian 710065 Peoples R China;

Xian Modern Chem Res Inst Sci &

Technol Combust &

Explos Lab Xian 710065 Peoples R China;

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原文格式 PDF
正文语种 eng
中图分类晶体学;
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专利

1. Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction [J] . Nature reviews Cancer . 2020,第2期

机译：用于精确形态预测的能量材料晶体生长的解密溶剂影响
2. Crystal morphology prediction of energetic materials grown from solution: insights into the accurate calculation of attachment energies [J] . Liu Yingzhe, Niu Shiyao, Lai Weipeng, CrystEngComm . 2019,第33期

机译：从解决方案种植的能量材料的晶体形态学预测：见解附着能量的准确计算
3. Prediction of the Density of Energetic Co-crystals: a Way to Design High Performance Energetic Materials [J] . Narges Zohari, Faezeh Ghiasvand Mohammadkhani Central European Journal of Energetic Materials . 2020,第1期

机译：预测精力充沛的共晶密度：一种设计高性能能量材料的方法
4. Crystal growth of energetic materials during high acceleration [C] . M.Y.D.Lanzerotti, J.Autera, L.Borne, International workshop on materials processing at high gravity . 1997

机译：高速加速期间精力充沛的材料的晶体生长
5. Synthesis of novel materials by pulsed laser deposition and chemical vapor deposition: Part I: Energetic deposition and stability of carbon nitride thin films. Part II: Catalytic growth of one dimensional materials and devices. [D] . Hu, Jiangtao. 2000

机译：通过脉冲激光沉积和化学气相沉积合成新型材料：第一部分：氮化碳薄膜的能量沉积和稳定性。第二部分：一维材料和装置的催化生长。
6. Influence of Morphological Changes in a Source Material on the Growth Interface of 4H-SiC Single Crystals [O] . Matthias Arzig, Johannes Steiner, Michael Salamon, 2019

机译：源材料的形态变化对4H-SiC单晶生长界面的影响
7. Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction [O] . -1

机译：用于精确形态预测的能量材料晶体生长的解密溶剂影响
8. Fundamental Energetic Materials Initiative: Combat Safe Energetic Ingredients Based on Molecular Design and Crystal Morphology [R] . Bedford, C. 2011

机译：基本能量材料计划：基于分子设计和晶体形态学打击安全含能成分

Deciphering Solvent Effect on Crystal Growth of Energetic Materials for Accurate Morphology Prediction

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