Matches in SemOpenAlex for { <https://semopenalex.org/work/W3100607896> ?p ?o ?g. }
- W3100607896 abstract "We study nonideal mixing effects in the regime of warm dense matter (WDM) by computing the shock Hugoniot curves of BN, MgO, and MgSiO3. First, we derive these curves from the equations of state (EOS) of the fully interacting systems, which were obtained using a combination of path integral Monte Carlo calculations at high temperature and density functional molecular dynamics simulations at lower temperatures. We then use the ideal mixing approximation at constant pressure and temperature to rederive these Hugoniot curves from the EOS tables of the individual elements. We find that the linear mixing approximation works remarkably well at temperatures above ∼2 × 105 K, where the shock compression ratio exceeds ∼3.2. The shape of the Hugoniot curve of each compound is well reproduced. Regions of increased shock compression, which emerge because of the ionization of L and K shell electrons, are well represented, and the maximum compression ratio of the Hugoniot curves is reproduced with high precision. Some deviations are seen near the onset of the L shell ionization regime, where ionization equilibrium in the fully interacting system cannot be well reproduced by the ideal mixing approximation. This approximation also breaks down at lower temperatures, where chemical bonds play an increasingly important role. However, the results imply that the equilibrium properties of binary and ternary mixtures in the regime of WDM can be derived from the EOS tables of the individual elements. This significantly simplifies the characterization of binary and ternary mixtures in the WDM and plasma phases, which otherwise requires large numbers of more computationally expensive first-principles computer simulations." @default.
- W3100607896 created "2020-11-23" @default.
- W3100607896 creator A5001305531 @default.
- W3100607896 creator A5013749248 @default.
- W3100607896 creator A5023169746 @default.
- W3100607896 creator A5037619705 @default.
- W3100607896 creator A5076239896 @default.
- W3100607896 creator A5089133623 @default.
- W3100607896 date "2020-11-09" @default.
- W3100607896 modified "2023-09-27" @default.
- W3100607896 title "Nonideal mixing effects in warm dense matter studied with first-principles computer simulations" @default.
- W3100607896 cites W1538699814 @default.
- W3100607896 cites W1590000437 @default.
- W3100607896 cites W1671118943 @default.
- W3100607896 cites W1875466780 @default.
- W3100607896 cites W1964775643 @default.
- W3100607896 cites W1965480387 @default.
- W3100607896 cites W1966425433 @default.
- W3100607896 cites W1966780484 @default.
- W3100607896 cites W1968505737 @default.
- W3100607896 cites W1970127494 @default.
- W3100607896 cites W1970873666 @default.
- W3100607896 cites W1972369077 @default.
- W3100607896 cites W1973965889 @default.
- W3100607896 cites W1974545438 @default.
- W3100607896 cites W1979544533 @default.
- W3100607896 cites W1981368803 @default.
- W3100607896 cites W1983958266 @default.
- W3100607896 cites W1987067210 @default.
- W3100607896 cites W1987348755 @default.
- W3100607896 cites W1992985800 @default.
- W3100607896 cites W1996743907 @default.
- W3100607896 cites W2005893415 @default.
- W3100607896 cites W2008475204 @default.
- W3100607896 cites W2017196167 @default.
- W3100607896 cites W2017819152 @default.
- W3100607896 cites W2022864190 @default.
- W3100607896 cites W2024240334 @default.
- W3100607896 cites W2029295038 @default.
- W3100607896 cites W2030976617 @default.
- W3100607896 cites W2031143201 @default.
- W3100607896 cites W2032337282 @default.
- W3100607896 cites W2033850748 @default.
- W3100607896 cites W2034180189 @default.
- W3100607896 cites W2037260677 @default.
- W3100607896 cites W2039659038 @default.
- W3100607896 cites W2042848620 @default.
- W3100607896 cites W2045390943 @default.
- W3100607896 cites W2046557266 @default.
- W3100607896 cites W2050729144 @default.
- W3100607896 cites W2055843795 @default.
- W3100607896 cites W2061169145 @default.
- W3100607896 cites W2061295263 @default.
- W3100607896 cites W2062714052 @default.
- W3100607896 cites W2072697696 @default.
- W3100607896 cites W2077278249 @default.
- W3100607896 cites W2089162236 @default.
- W3100607896 cites W2094416526 @default.
- W3100607896 cites W2108621520 @default.
- W3100607896 cites W2109511973 @default.
- W3100607896 cites W2109658118 @default.
- W3100607896 cites W2111933513 @default.
- W3100607896 cites W2112940941 @default.
- W3100607896 cites W2113222445 @default.
- W3100607896 cites W2113943932 @default.
- W3100607896 cites W2118604499 @default.
- W3100607896 cites W2123529885 @default.
- W3100607896 cites W2125298519 @default.
- W3100607896 cites W2154062336 @default.
- W3100607896 cites W2162296239 @default.
- W3100607896 cites W2170387816 @default.
- W3100607896 cites W2226951437 @default.
- W3100607896 cites W2230728100 @default.
- W3100607896 cites W2254317369 @default.
- W3100607896 cites W2260595074 @default.
- W3100607896 cites W2314569019 @default.
- W3100607896 cites W2332364705 @default.
- W3100607896 cites W2333574591 @default.
- W3100607896 cites W2345413944 @default.
- W3100607896 cites W2400706412 @default.
- W3100607896 cites W2416465874 @default.
- W3100607896 cites W2489030022 @default.
- W3100607896 cites W2499947522 @default.
- W3100607896 cites W2517303798 @default.
- W3100607896 cites W2569260068 @default.
- W3100607896 cites W2571518074 @default.
- W3100607896 cites W2607249951 @default.
- W3100607896 cites W2618747440 @default.
- W3100607896 cites W2727628014 @default.
- W3100607896 cites W2756112267 @default.
- W3100607896 cites W2798575955 @default.
- W3100607896 cites W2799405884 @default.
- W3100607896 cites W2802719170 @default.
- W3100607896 cites W2807929928 @default.
- W3100607896 cites W2809191732 @default.
- W3100607896 cites W2886460943 @default.
- W3100607896 cites W2892025726 @default.
- W3100607896 cites W2914937437 @default.
- W3100607896 cites W2917714293 @default.
- W3100607896 cites W2942345304 @default.