Wood et al., 2014 - Google Patents
Coupled thermal and electromagnetic induced decomposition in the molecular explosive αHMX; a reactive molecular dynamics studyWood et al., 2014
View PDF- Document ID
- 11423160945586365319
- Author
- Wood M
- Van Duin A
- Strachan A
- Publication year
- Publication venue
- The Journal of Physical Chemistry A
External Links
Snippet
We use molecular dynamics simulations with the reactive potential ReaxFF to investigate the initial reactions and subsequent decomposition in the high-energy-density material α-HMX excited thermally and via electric fields at various frequencies. We focus on the role of insult …
- 238000000329 molecular dynamics simulation 0 title abstract description 76
Similar Documents
| Publication | Publication Date | Title |
|---|---|---|
| Wood et al. | Coupled thermal and electromagnetic induced decomposition in the molecular explosive αHMX; a reactive molecular dynamics study | |
| Manaa et al. | Decomposition of HMX at extreme conditions: A molecular dynamics simulation | |
| Wang et al. | Thermal decomposition mechanism of CL-20 at different temperatures by ReaxFF reactive molecular dynamics simulations | |
| An et al. | Highly shocked polymer bonded explosives at a nonplanar interface: Hot-spot formation leading to detonation | |
| Xue et al. | Initial decay mechanism of the heated CL-20/HMX cocrystal: a case of the cocrystal mediating the thermal stability of the two pure components | |
| Rom et al. | Density-dependent liquid nitromethane decomposition: molecular dynamics simulations based on ReaxFF | |
| Han et al. | Thermal decomposition of condensed-phase nitromethane from molecular dynamics from ReaxFF reactive dynamics | |
| McNesby et al. | Spectroscopic determination of impact sensitivities of explosives | |
| Zhang et al. | Carbon cluster formation during thermal decomposition of octahydro-1, 3, 5, 7-tetranitro-1, 3, 5, 7-tetrazocine and 1, 3, 5-triamino-2, 4, 6-trinitrobenzene high explosives from ReaxFF reactive molecular dynamics simulations | |
| Hamilton et al. | Sensitivity of the shock initiation threshold of 1, 3, 5-triamino-2, 4, 6-trinitrobenzene (TATB) to nuclear quantum effects | |
| Islam et al. | Reactive molecular dynamics simulations to investigate the shock response of liquid nitromethane | |
| Furman et al. | Decomposition of condensed phase energetic materials: interplay between uni-and bimolecular mechanisms | |
| Islam et al. | Decomposition and reaction of polyvinyl nitrate under shock and thermal loading: a ReaxFF reactive molecular dynamics study | |
| Tarver et al. | Critical conditions for impact-and shock-induced hot spots in solid explosives | |
| Wen et al. | Twin induced sensitivity enhancement of HMX versus shock: A molecular reactive force field simulation | |
| Chen et al. | Thermal decomposition mechanism of 2, 2′, 4, 4′, 6, 6′-hexanitrostilbene by ReaxFF reactive molecular dynamics simulations | |
| Zhou et al. | Effects of defects on thermal decomposition of HMX via ReaxFF molecular dynamics simulations | |
| Liu et al. | Mechanism and kinetics for the initial steps of pyrolysis and combustion of 1, 6-dicyclopropane-2, 4-hexyne from ReaxFF reactive dynamics | |
| Xue et al. | Influence of dislocations on the shock sensitivity of RDX: molecular dynamics simulations by reactive force field | |
| An et al. | Anisotropic shock sensitivity of cyclotrimethylene trinitramine (RDX) from compress-and-shear reactive dynamics | |
| Ge et al. | Initial decomposition of the condensed-phase β-HMX under shock waves: molecular dynamics simulations | |
| Sakano et al. | Role of Molecular Disorder on the Reactivity of RDX | |
| He et al. | Dynamic responses and initial decomposition under shock loading: a DFTB calculation combined with MSST method for β-HMX with molecular vacancy | |
| Schweigert | Ab initio molecular dynamics of high-temperature unimolecular dissociation of gas-phase RDX and its dissociation products | |
| Bhattacharya et al. | Nonadiabatic reaction of energetic molecules |