Zobrazeno 1 - 10
of 72
pro vyhledávání: '"Shawn McGrane"'
Publikováno v:
The Journal of Physical Chemistry A. 124:3314-3328
We use density functional tight binding (DFTB) molecular dynamics (MD) simulations to determine the reaction rates of nitromethane CH3NO2 (NM) under high pressure (P=14--28 GPa), and temperature (1...
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ba44792eec3d2286baa70464199af148
https://doi.org/10.1021/acs.jpca.9b11897
https://doi.org/10.1021/acs.jpca.9b11897
Publikováno v:
The Journal of chemical physics. 154(5)
Thin films of trinitrotoluene (TNT) were shock compressed using the ultrafast laser shock apparatus at Los Alamos National Laboratory. Visible (VIS) and mid-infrared (MIR) transient absorption spectroscopies were simultaneously performed to probe for
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e980daa6a9fb8f13e3f56b58d22d3f7
https://pubmed.ncbi.nlm.nih.gov/33557528
https://pubmed.ncbi.nlm.nih.gov/33557528
Autor:
D. S. Moore, Michael S. Powell, Cynthia Bolme, Pamela Bowlan, Michael Sakano, Shawn McGrane, Alejandro Strachan, Marc J. Cawkwell, Kathryn E. Brown, Steven F. Son
Publikováno v:
The journal of physical chemistry. A. 124(35)
Thin films of pentaerythritol tetranitrate (PETN) were shock compressed using the laser driven shock apparatus at Los Alamos National Laboratory (LANL). Two spectroscopic probes were available to this apparatus: visible white light transient absorpti
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be5a35f46de15b0baf4928129baa6cfe
https://pubmed.ncbi.nlm.nih.gov/32786976
https://pubmed.ncbi.nlm.nih.gov/32786976
Anisotropic thermal conductivity and elasticity of RDX using impulsive stimulated thermal scattering
Publikováno v:
SHOCK COMPRESSION OF CONDENSED MATTER - 2019: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter.
Anisotropy of single crystals plays an integral role in meso-scale behavior of materials. In energetic materials, the anisotropy of thermal conductivity and elasticity plays a key role in hot spot generation during dynamic loading, potentially leadin
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::dce8d1f3cd5be06e58273636553db568
https://doi.org/10.1063/12.0000866
https://doi.org/10.1063/12.0000866
Publikováno v:
SHOCK COMPRESSION OF CONDENSED MATTER - 2019: Proceedings of the Conference of the American Physical Society Topical Group on Shock Compression of Condensed Matter.
Vibrational spectroscopy allows identification of molecules with very high specificity. It is therefore often applied for the measurement of species under shock compression, especially when chemical reactions are likely such as in energetic materials
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::6a77170285d4628bacb7338ff9fd6ee3
https://doi.org/10.1063/12.0000859
https://doi.org/10.1063/12.0000859
Autor:
Shawn McGrane, Pamela Bowlan, Steven F. Son, Kathryn E. Brown, Michael S. Powell, Cynthia Bolme, D. S. Moore
Publikováno v:
The Review of scientific instruments. 90(6)
Common Ti:sapphire chirped pulse amplified laser systems can be readily adapted to be both a generator of adjustable pressure shock waves and a source for multiple probes of the ensuing ultrafast shock dynamics. In this paper, we detail experimental
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::eb92bd846313a7e1193b29e0acef8756
https://pubmed.ncbi.nlm.nih.gov/31254979
https://pubmed.ncbi.nlm.nih.gov/31254979
Autor:
Shawn McGrane, Michael S. Powell, Marc J. Cawkwell, Romain Perriot, Pamela Bowlan, Enrique Martínez, Edward M. Kober
Publikováno v:
The Journal of chemical physics. 150(20)
We probe shock-induced chemistry in two organic liquids by measuring broadband, midinfrared absorption in the 800–1400 cm−1 frequency range. To test this new method and understand the signatures of chemical reactions in time resolved vibrational
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::1d1ffc2ffb103a6942c3500243cf3c55
https://pubmed.ncbi.nlm.nih.gov/31153201
https://pubmed.ncbi.nlm.nih.gov/31153201
Publikováno v:
AIP Conference Proceedings.
We investigate a density functional tight binding (DFTB) approach to the modeling of atomic interactions by looking at the energetics of phenol and nitromethane isomers. Taking advantage of the interfacing of the LATTE DFTB and LAMMPS molecular dynam
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::850cf175435e00b26eae1a846727b7b1
https://doi.org/10.1063/1.5044797
https://doi.org/10.1063/1.5044797