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High Pressure Research
An International Journal
Volume 30, 2010 - Issue 2: INTERNATIONAL UNION OF CRYSTALLOGRAPHY (IUCr) MEETING ON ‘ADVANCED CRYSTALLOGRAPHY AT HIGH PRESSURE’, HARBIN (CHINA), 19–22 JULY 2009
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Original Articles

First-principles studies on the thermal decomposition behavior of FOX-7

Zhaoyang Zheng Institution of Computational Materials Science, School of Physics and Optoelectronic Technology, College of Advanced Science and Technology, Dalian University of Technology, Dalian, 116024, People's Republic of China; State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, People's Republic of China
,
Jingcheng Xu Institution of Computational Materials Science, School of Physics and Optoelectronic Technology, College of Advanced Science and Technology, Dalian University of Technology, Dalian, 116024, People's Republic of China; State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, People's Republic of China
&
Jijun Zhao Institution of Computational Materials Science, School of Physics and Optoelectronic Technology, College of Advanced Science and Technology, Dalian University of Technology, Dalian, 116024, People's Republic of China; State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, Beijing, 100081, People's Republic of ChinaCorrespondence[email protected]
Pages 301-309 | Received 18 Jan 2010, Accepted 12 Apr 2010, Published online: 02 Jun 2010

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Michael Pravica, Martin Galley, Changyong Park, Harrison Ruiz & Jennifer Wojno. (2011) A high pressure, high temperature study of 1,1-diamino-2,2-dinitro ethylene. High Pressure Research 31:1, pages 80-85.
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Articles from other publishers (21)

Andrew M. Turner, Joshua H. Marks, Jasmin T. Lechner, Thomas M. Klapötke, Rui Sun & Ralf I. Kaiser. (2023) Ultraviolet-Initiated Decomposition of Solid 1,1-Diamino-2,2-dinitroethylene (FOX-7). The Journal of Physical Chemistry A.
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Sohan Lal, Richard J. Staples & Jean'ne M. Shreeve. (2023) FOX-7 derived nitramines: Novel propellants and oxidizers for solid rocket propulsion. Chemical Engineering Journal 468, pages 143737.
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Andrew M. Turner, Joshua H. Marks, Yuheng Luo, Jasmin T. Lechner, Thomas M. Klapötke, Rui Sun & Ralf I. Kaiser. (2023) Electron-Induced Decomposition of Solid 1,1-Diamino-2,2-dinitroethylene (FOX-7) at Cryogenic Temperatures. The Journal of Physical Chemistry A 127:15, pages 3390-3401.
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Chenze Chai, Qinghai Shu, Qiang Su, Jian Wang, Xijuan Lv, Dongxu Wang & Lixiang Zhong. (2023) Theoretical investigation on intermolecular interactions, co-crystal structure, thermal decomposition mechanism, and shock properties of 3-nitro-1,2,4-triazol-5-one (NTO) and ammonium perchlorate. CrystEngComm 25:4, pages 671-682.
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Sohan Lal, Richard J. Staples & Jean'ne M. Shreeve. (2023) FOX-7 based nitrogen rich green energetic salts: Synthesis, characterization, propulsive and detonation performance. Chemical Engineering Journal 452, pages 139600.
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Jun Jiang, Liang Song, Feng-Qi Zhao, Si-Yu Xu & Xue-Hai Ju. (2022) Molecular evolution mechanisms of FOX-7 under high-pressure shock on different crystal faces. Energetic Materials Frontiers 3:4, pages 273-282.
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Fangjian Shang, Ting Wang, Yinhua Ma & Meiheng Lv. (2022) Theoretical study on several important decomposition paths of FOX-7 and its derivatives. Computational and Theoretical Chemistry 1217, pages 113895.
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Andrew M. Turner, Yuheng Luo, Joshua H. Marks, Rui Sun, Jasmin T. Lechner, Thomas M. Klapötke & Ralf I. Kaiser. (2022) Exploring the Photochemistry of Solid 1,1-Diamino-2,2-dinitroethylene (FOX-7) Spanning Simple Bond Ruptures, Nitro-to-Nitrite Isomerization, and Nonadiabatic Dynamics. The Journal of Physical Chemistry A 126:29, pages 4747-4761.
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Xiaoting Hou, Ming Zhang, Fengqi Zhao, Hui Li, Yingying Zuo & Ruiqin Li. 2022. 2021 International Conference on Development and Application of Carbon Nanomaterials in Energetic Materials. 2021 International Conference on Development and Application of Carbon Nanomaterials in Energetic Materials 227 234 .
Jianbo Fu, Baoguo Wang, Yafang Chen, Yunchuan Li, Xing Tan, Biyuan Wang & Baoyun Ye. (2021) Computational analysis the relationships of energy and mechanical properties with sensitivity for FOX-7 based PBXs via MD simulation. Royal Society Open Science 8:2.
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Guolin Xiong & Weihua Zhu. (2020) Coupling effects of high temperature and pressure on the decomposition mechanisms of 1,1‐diamino‐2,2‐dinitroehethe crystal: Ab initio molecular dynamics simulations. Journal of the Chinese Chemical Society 67:9, pages 1571-1578.
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Kaining Zhang, Lang Chen, Deshen Geng, Jianying Lu & Junying Wu. (2020) Thermal stability mechanism via energy absorption by chemical bonds bending and stretching in free space and the interlayer reaction of layered molecular structure explosives . Physical Chemistry Chemical Physics 22:23, pages 13248-13260.
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Liping Jiang, Xiaolong Fu, Zhongyue Zhou, Chongmin Zhang, Jizhen Li, Fei Qi, Xuezhong Fan & Guofang Zhang. (2020) Study of the thermal decomposition mechanism of FOX-7 by molecular dynamics simulation and online photoionization mass spectrometry. RSC Advances 10:36, pages 21147-21157.
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Ming Zhang, Fengqi Zhao, Ting An, Yanjing Yang, Hui Li, Qing Pan, Xiaohong Wang & Zhoufeng Jiang. (2020) Catalytic Effects of rGO–MFe 2 O 4 (M = Ni, Co, and Zn) Nanocomposites on the Thermal Decomposition Performance and Mechanism of Energetic FOX-7 . The Journal of Physical Chemistry A 124:9, pages 1673-1681.
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Huaiyu Jiang, Qingjie Jiao & Chaoyang Zhang. (2018) Early Events When Heating 1,1-Diamino-2,2-dinitroethylene: Self-Consistent Charge Density-Functional Tight-Binding Molecular Dynamics Simulations. The Journal of Physical Chemistry C 122:27, pages 15125-15132.
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KRANTHI CHATRAGADDA & ANUJ A VARGEESE. (2017) A Kinetics Investigation on the Nitro-Nitrite Rearrangement Mediated Thermal Decomposition of High Temperature Monoclinic Phase of 1,1-Diamino-2,2-Dinitroethylene (γ-Fox-7). Journal of Chemical Sciences 129:2, pages 281-288.
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Ryan S. Booth & Laurie J. Butler. (2014) Thermal decomposition pathways for 1,1-diamino-2,2-dinitroethene (FOX-7). The Journal of Chemical Physics 141:13.
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N. Yedukondalu & G. Vaitheeswaran. (2014) Polymorphism and thermodynamic ground state of silver fulminate studied from van der Waals density functional calculations. The Journal of Chemical Physics 140:22.
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S. Appalakondaiah, G. Vaitheeswaran & S. Lebègue. (2014) Structural, vibrational, and quasiparticle band structure of 1,1-diamino-2,2-dinitroethelene from ab initio calculations . The Journal of Chemical Physics 140:1.
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Huaqiang Cai, Li Tian, Bing Huang, Guangcheng Yang, Debin Guan & Hui Huang. (2013) 1,1-Diamino-2,2-dintroethene (FOX-7) nanocrystals embedded in mesoporous carbon FDU-15. Microporous and Mesoporous Materials 170, pages 20-25.
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Zhang Li & Chen Lang. (2013) The effect of pressure on thermal decomposition of solid nitromethane via MD simulation. Acta Physica Sinica 62:13, pages 138201.
Crossref

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