Literature DB >> 18047319

Investigation of the slide of the single layer of the 1,3,5-triamino-2,4,6-trinitrobenzene crystal: sliding potential and orientation.

Chaoyang Zhang1.   

Abstract

This paper reports for the first time that the sliding potential of a single layer of the 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) crystal is within 0-77.9 kJ per mol unit cell or 0-29.4 MJ/m(3) and that the most possible sliding orientation is approximately along one line. As compared to another easy-slide material, graphite, TATB has a higher sliding potential and fewer sliding routes and furthermore is more difficult to slide. However, TATB can still slide due to its highest sliding potential points below the apparent activation energy of the decomposition energy of any common explosive. This slide may be the main reason as to why TATB can be used as a desensitizer versus mechanical stimuli.

Entities:  

Year:  2007        PMID: 18047319     DOI: 10.1021/jp0770357

Source DB:  PubMed          Journal:  J Phys Chem B        ISSN: 1520-5207            Impact factor:   2.991


  9 in total

1.  Understanding the desensitizing mechanism of olefin in explosives: shear slide of mixed HMX-olefin systems.

Authors:  Chaoyang Zhang; Xia Cao; Bin Xiang
Journal:  J Mol Model       Date:  2011-07-23       Impact factor: 1.810

2.  Some molecular/crystalline factors that affect the sensitivities of energetic materials: molecular surface electrostatic potentials, lattice free space and maximum heat of detonation per unit volume.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2015-01-29       Impact factor: 1.810

3.  Stress-induced activation of decomposition of organic explosives: a simple way to understand.

Authors:  Chaoyang Zhang
Journal:  J Mol Model       Date:  2012-09-06       Impact factor: 1.810

4.  Impact sensitivity and crystal lattice compressibility/free space.

Authors:  Peter Politzer; Jane S Murray
Journal:  J Mol Model       Date:  2014-04-23       Impact factor: 1.810

5.  Theoretical insight into the sensitive mechanism of multilayer-shaped cocrystal explosives: compression and slide.

Authors:  Hong-fei Gao; Shu-hai Zhang; Fu-de Ren; Rui-jun Gou; Gang Han; Jing-bo Wu; Xiong Ding; Wen-hu Zhao
Journal:  J Mol Model       Date:  2016-04-19       Impact factor: 1.810

6.  Examining the chemical and structural properties that influence the sensitivity of energetic nitrate esters.

Authors:  Virginia W Manner; Marc J Cawkwell; Edward M Kober; Thomas W Myers; Geoff W Brown; Hongzhao Tian; Christopher J Snyder; Romain Perriot; Daniel N Preston
Journal:  Chem Sci       Date:  2018-03-09       Impact factor: 9.825

7.  High pressure structural behaviour of 5,5'-bitetrazole-1,1'-diolate based energetic materials: a comparative study from first principles calculations.

Authors:  B Moses Abraham
Journal:  RSC Adv       Date:  2020-07-02       Impact factor: 3.361

8.  Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach.

Authors:  Yi Wang; Yuji Liu; Siwei Song; Zhijian Yang; Xiujuan Qi; Kangcai Wang; Yu Liu; Qinghua Zhang; Yong Tian
Journal:  Nat Commun       Date:  2018-06-22       Impact factor: 14.919

9.  High Thermal Stability and Insensitive Fused Triazole-Triazine Trifluoromethyl-Containing Explosives (TFX).

Authors:  Zhengfeng Yan; Tingting Lu; Yajing Liu; Weixiao Liu; Baodong Zhao; Yinglei Wang; Zhongxue Ge
Journal:  ACS Omega       Date:  2021-07-18
  9 in total

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