Theoretical study of the void collapse and shear band formation mechanism for β-HMX

被引：2
|
作者：
Long, Yao [1 ,2 ]
Chen, Jun [1 ,2 ]
机构：
[1] Inst Appl Phys & Computat Math, Lab Computat Phys, Beijing, Peoples R China
[2] Inst Appl Phys & Computat Math, Lab Computat Phys, Beijing 100088, Peoples R China
来源：
PROPELLANTS EXPLOSIVES PYROTECHNICS | 2023年 / 48卷 / 07期
基金：
中国国家自然科学基金;
关键词：
molecular dynamics; shear band; void collapse; ANGLE NEUTRON-SCATTERING; HOT-SPOT FORMATION; CRYSTAL-STRUCTURE; DYNAMICS; SIMULATIONS; CHEMISTRY; FORM;
D O I：
10.1002/prep.202200326
中图分类号：
O69 [应用化学];
学科分类号：
081704 ;
摘要：
Based on molecular dynamics simulation, we obtain a shear band formation mechanism for beta-HMX. The shock wave reflected at void face induces rarefaction wave, and the velocity difference between rarefaction wave zone and shock wave zone induces slipping. A set of physical models are developed to describe the wave reflection, shear band expansion and energy dissipation. The orientation angle, face indices, expansion velocity and formation energy of shear bands are calculated. A complete physical picture for shear band formation is obtained.
引用
收藏
页数：11
相关论文
共 50 条
  • [41] Theoretical Study on the Mechanism of the Acylate Reaction of β-Lactamase
    Wei, Wen-Mei
    Xu, Yan-Li
    Zheng, Ren-Hui
    Zhao, Tingting
    Fang, Weijun
    Qin, Yi-De
    ACS OMEGA, 2021, 6 (19): : 12598 - 12604
  • [42] Theoretical study of the inhibition mechanism of human 20S proteasome by dihydroeponemycin
    Serrano-Aparicio, Natalia
    Swiderek, Katarzyna
    Moliner, Vicent
    EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY, 2019, 164 : 399 - 407
  • [43] Multiresolution continuum modeling of micro-void assisted dynamic adiabatic shear band propagation
    McVeigh, Cahal
    Liu, Wing Kam
    JOURNAL OF THE MECHANICS AND PHYSICS OF SOLIDS, 2010, 58 (02) : 187 - 205
  • [44] Theoretical study of phonon density of states, thermodynamic properties and phase transitions for HMX
    Long, Yao
    Chen, Jun
    PHILOSOPHICAL MAGAZINE, 2014, 94 (23) : 2656 - 2677
  • [45] Temperature and bulk ice water effect in the methanimine formation mechanism: theoretical study
    Djebra-Belmessaoud, Nadia
    Kheffache, Djaffar
    STRUCTURAL CHEMISTRY, 2023, 34 (05) : 1657 - 1666
  • [46] Mechanism of E-bridge formation by various PAH molecules: A theoretical study
    Savchenkova, Anna S.
    Semenikhin, Alexander S.
    V. Chechet, Ivan
    Matveev, Sergey G.
    Frenklach, Michael
    Morozov, Alexander N.
    Mebel, Alexander M.
    CHEMICAL PHYSICS LETTERS, 2022, 799
  • [47] DEM Study of Shear Band Formation in Granular Materials under True Triaxial Test Conditions
    Hadi, A. H.
    Mirghasemi, A. A.
    CIVIL ENGINEERING INFRASTRUCTURES JOURNAL-CEIJ, 2022, 55 (02): : 373 - 394
  • [48] The mechanism of shear-band blocking in monolithic metallic glasses
    Wang, D. P.
    Sun, B. A.
    Gao, M.
    Yang, Y.
    Liu, C. T.
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2017, 703 : 162 - 166
  • [49] Theoretical Studies on the Mechanism of the Formation of Cyclopentadienes and Dihydropyridazines
    Hallooman, Dhanashree
    Rhyman, Lydia
    Dalkilic, Erdin
    Dastan, Arif
    Elzagheid, Mohamed, I
    Domingo, Luis R.
    Ramasami, Ponnadurai
    CHEMISTRYSELECT, 2021, 6 (37): : 9806 - 9813
  • [50] Effect of void in deformation and damage mechanism of single crystal copper: a molecular dynamics study
    Rajput, Ashutosh
    Paul, Surajit Kumar
    MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2021, 29 (08)
12345