Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Ni-Na Ge"'
Publikováno v:
ACS Omega, Vol 6, Iss 44, Pp 29820-29829 (2021)
Externí odkaz:
https://doaj.org/article/acd4c72af8d843f5b21571e1befce656
Publikováno v:
ACS Omega, Vol 6, Iss 44, Pp 29820-29829 (2021)
Strain engineering can effectively improve the energy band degeneracy of two-dimensional transition metal dichalcogenides so that they exhibit good thermoelectric properties under strain. In this work, we have studied the phonon, electronic, thermal,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::270d89e08bb98e0cdcd24c72338e04b3
https://doaj.org/article/acd4c72af8d843f5b21571e1befce656
https://doaj.org/article/acd4c72af8d843f5b21571e1befce656
Initial Decomposition of Condensed-Phase 1,3,5-Triamino-2,4,6-trinitrobenzene under High Temperature
Publikováno v:
Journal of Energetic Materials. 40:82-98
We have performed quantum-based molecular dynamics (MD) simulations to investigate the initial chemical processes of the TATB under different temperatures. A self-consistent charge density-function...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::784d0c52fe55e5adc3772cb8369abba7
https://doi.org/10.1080/07370652.2020.1830200
https://doi.org/10.1080/07370652.2020.1830200
Publikováno v:
SSRN Electronic Journal.
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::abff1e3543d8ee947a1027b08c6a5397
https://doi.org/10.2139/ssrn.4234917
https://doi.org/10.2139/ssrn.4234917
Publikováno v:
Journal of Physics and Chemistry of Solids. 169:110834
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::758c70634d9597d69fe7321ed8e05180
https://doi.org/10.1016/j.jpcs.2022.110834
https://doi.org/10.1016/j.jpcs.2022.110834
Publikováno v:
Canadian Journal of Chemistry. 97:245-253
The anisotropy of impact sensitivity and microscopic electron properties of the cyclotrimethylene trinitramine (C3H6N6O6) (RDX) under shock loading are investigated in our work. The simulation is performed using molecular dynamic (MD) simulations in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fb0e7716275b1c9e6806d252b2cc9735
https://doi.org/10.1139/cjc-2018-0256
https://doi.org/10.1139/cjc-2018-0256
Publikováno v:
physica status solidi (b). 259:2200090
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::aef487acaaddedf6f536e765b4d67483
https://doi.org/10.1002/pssb.202200090
https://doi.org/10.1002/pssb.202200090
Publikováno v:
Materials, Vol 9, Iss 8, p 616 (2016)
For a further understanding of the phase transitions mechanism in type-I silicon clathrates K8Si46, ab initio self-consistent electronic calculations combined with linear-response method have been performed to investigate the vibrational properties o
Externí odkaz:
https://doaj.org/article/c14110e8d6254a6991777a2b14f0cf5c
Publikováno v:
Journal of Molecular Graphics and Modelling. 85:316-322
We have performed quantum-based molecular dynamics (MD) simulations in conjunction with multiscale shock technique (MSST) to investigate the initial chemical processes and the anisotropy of shock sensitivity of the RDX under shock loading applied alo
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b935fdb30c7fa99c54f88dcd5e5a33a7
https://doi.org/10.1016/j.jmgm.2018.08.009
https://doi.org/10.1016/j.jmgm.2018.08.009
Publikováno v:
Journal of Alloys and Compounds. 653:77-87
We presented a theoretical study of the structural, mechanical and electronic properties of type-I silicon clathrate Ba8Si46 under high pressure through first principles methods. The calculated results show an obvious increase of the crystal compress
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::9ee5a97a6ed01dffe26d73c4bb1d0282
https://doi.org/10.1016/j.jallcom.2015.08.280
https://doi.org/10.1016/j.jallcom.2015.08.280