Zobrazeno 1 - 10
of 21
pro vyhledávání: '"Jeffery A Leiding"'
Publikováno v:
AIP Advances, Vol 13, Iss 2, Pp 025050-025050-7 (2023)
We compare and contrast the traditionally used method of solving the pressure–temperature equilibration problem in hydrodynamics, where specific internal energy and density are considered independent variables, with a different method where pressur
Externí odkaz:
https://doaj.org/article/e2cd5dce3f55456b864eed4ac96009ea
Publikováno v:
The Journal of Physical Chemistry B. 125:4794-4807
Experimental data suggest that the solubility of copper in high-temperature water vapor is controlled by the formation of hydrated clusters of the form CuCl(H2O)n, where the average number of water molecules in the cluster generally increases with in
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::aa9b9878ecead5d0f2757ea06099dbfc
https://doi.org/10.1021/acs.jpcb.1c00083
https://doi.org/10.1021/acs.jpcb.1c00083
Autor:
Jeffery A. Leiding, Ryan B. Jadrich
Publikováno v:
The Journal of Physical Chemistry B. 124:5488-5497
As a corollary of the rapid advances in computing, ab initio simulation is playing an increasingly important role in modeling materials at the atomic scale. Two strategies are possible, ab initio Monte Carlo (AIMC) and molecular dynamics (AIMD) simul
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0c696fb1d2f4793676ba38ac7095d0e
https://doi.org/10.1021/acs.jpcb.0c03738
https://doi.org/10.1021/acs.jpcb.0c03738
Autor:
Mark C Zammit, Jeffery A Leiding, James Colgan, Wesley Even, Christopher J Fontes, Eddy Timmermans
Publikováno v:
Journal of Physics B: Atomic, Molecular and Optical Physics. 55:184002
In this paper we propose a methodology to calculate the radiative properties of the diatomic molecular constituents of air, and utilize the present approach to model the radiative properties of nitrogen monoxide, NO. We also investigate the important
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::97c3075bca2928923d80b9878a3fb378
https://doi.org/10.1088/1361-6455/ac8213
https://doi.org/10.1088/1361-6455/ac8213
The high cost of density functional theory has hitherto limited the ab initio prediction of equation of state (EOS). In this article, we employ a combination of large scale computing, advanced simulation techniques, and smart data science strategies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::5d13bbcd5b3ad27477be496c1e6a72ef
http://arxiv.org/abs/2103.09849
http://arxiv.org/abs/2103.09849
Autor:
Ryan B, Jadrich, Jeffery A, Leiding
Publikováno v:
The journal of physical chemistry. B. 124(26)
As a corollary of the rapid advances in computing
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=pmid________::8eaced8853cd719fc8be65f5d375e2c1
https://pubmed.ncbi.nlm.nih.gov/32484668
https://pubmed.ncbi.nlm.nih.gov/32484668
Autor:
Jeffery A. Leiding, Christopher Ticknor, Tariq D. Aslam, Joshua D. Coe, M. A. Zocher, Matthew A. Price
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.
A calibration of the AWSD (Arrhenius Wescott-Stewart-Davis) reactive flow model, applied to the HMX based explosive PBX 9501 is presented. Requisite equation of state parameters for the high explosive reactants and products are based on a combination
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::344f737c81fe53b46e6812ecdd8c0a5a
https://doi.org/10.1063/12.0000891
https://doi.org/10.1063/12.0000891
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.
Here we present reactive Monte Carlo benchmarks of LANL’s new thermochemical code (Magpie). Thermochemical codes make various approximations such as representing the non-ideal portions of the equation of state with perturbation or integral equation
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::2d1b1985db5936481453db2252ec9d5d
https://doi.org/10.1063/12.0000940
https://doi.org/10.1063/12.0000940
Autor:
Matthew A. Price, Jeffery A. Leiding, Tariq D. Aslam, Joshua D. Coe, Kyle J. Ramos, Cynthia A. Bolme, Elizabeth G. Francois, Joseph P. Lichthardt, Pat P. Bowden, Darla G. Thompson, Christopher Ticknor
Publikováno v:
Journal of Applied Physics. 130:215903
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::658d7eeaf8239fec3ec6637987449184
https://doi.org/10.1063/5.0073376
https://doi.org/10.1063/5.0073376
Autor:
Matthew A. Price, Stephen A. Andrews, Nathaniel Sanchez, Marc J. Cawkwell, Christopher Ticknor, Jeffery A. Leiding, Kyle J. Ramos, Tariq D. Aslam, Cynthia Bolme
Publikováno v:
Journal of Applied Physics. 130:025901
A novel set of experiments and reactive flow modeling of pentaerythritol tetranitrate (PETN) is presented. Here, the specific phenomenon of shock to detonation transition is examined, where an initial, relatively weak shock is propagated into pressed
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3c4b25bca62402a5d012d55242675b22
https://doi.org/10.1063/5.0054856
https://doi.org/10.1063/5.0054856