Matches in SemOpenAlex for { <https://semopenalex.org/work/W2056588302> ?p ?o ?g. }
- W2056588302 abstract "By employing ab initio molecular dynamics simulations at constant pressure we investigated the behavior of amorphous carbon dioxide between 0 and 100 GPa and 200 and 500 K. We focused on the evolution of the high-pressure polymeric amorphous form known as a-carbonia on its way down to zero pressure, where it eventually converts into a molecular state. During the simulations we observed a spectrum of amorphous forms between two limiting polymeric forms with different proportions of three- and four-coordinated carbon atoms. Besides that we also found a mixed molecular-polymeric form that shows pronounced metastability at certain conditions. The observed behavior suggests ${mathrm{CO}}_{2}$ as a possible candidate for polyamorphism. We discuss the structural and physical properties of the observed amorphous forms as well as their relation to crystalline phases." @default.
- W2056588302 created "2016-06-24" @default.
- W2056588302 creator A5020517639 @default.
- W2056588302 creator A5060884745 @default.
- W2056588302 date "2014-04-16" @default.
- W2056588302 modified "2023-10-14" @default.
- W2056588302 title "Structural evolution in high-pressure amorphous<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi mathvariant=normal>CO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>from<i>ab initio</i>molecular dynamics" @default.
- W2056588302 cites W1510599067 @default.
- W2056588302 cites W1658176365 @default.
- W2056588302 cites W1677701495 @default.
- W2056588302 cites W1964622557 @default.
- W2056588302 cites W1966648687 @default.
- W2056588302 cites W1967637647 @default.
- W2056588302 cites W1967707071 @default.
- W2056588302 cites W1969760208 @default.
- W2056588302 cites W1970013775 @default.
- W2056588302 cites W1970840916 @default.
- W2056588302 cites W1975622321 @default.
- W2056588302 cites W1979992376 @default.
- W2056588302 cites W1981368803 @default.
- W2056588302 cites W1984700015 @default.
- W2056588302 cites W1985445585 @default.
- W2056588302 cites W1985646195 @default.
- W2056588302 cites W1992123589 @default.
- W2056588302 cites W1993762798 @default.
- W2056588302 cites W1994962778 @default.
- W2056588302 cites W1995804513 @default.
- W2056588302 cites W1999011499 @default.
- W2056588302 cites W2003857211 @default.
- W2056588302 cites W2005760512 @default.
- W2056588302 cites W2007395042 @default.
- W2056588302 cites W2007658081 @default.
- W2056588302 cites W2011414923 @default.
- W2056588302 cites W2012452910 @default.
- W2056588302 cites W2014537704 @default.
- W2056588302 cites W2017965734 @default.
- W2056588302 cites W2023394438 @default.
- W2056588302 cites W2025625972 @default.
- W2056588302 cites W2025626959 @default.
- W2056588302 cites W2026473926 @default.
- W2056588302 cites W2028860160 @default.
- W2056588302 cites W2030510188 @default.
- W2056588302 cites W2030745341 @default.
- W2056588302 cites W2031751752 @default.
- W2056588302 cites W2035266068 @default.
- W2056588302 cites W2039471055 @default.
- W2056588302 cites W2043025640 @default.
- W2056588302 cites W2043889565 @default.
- W2056588302 cites W2048596440 @default.
- W2056588302 cites W2049230914 @default.
- W2056588302 cites W2055022715 @default.
- W2056588302 cites W2064343373 @default.
- W2056588302 cites W2067555601 @default.
- W2056588302 cites W2070629561 @default.
- W2056588302 cites W2071495608 @default.
- W2056588302 cites W2072125069 @default.
- W2056588302 cites W2076687004 @default.
- W2056588302 cites W2078252241 @default.
- W2056588302 cites W2083140722 @default.
- W2056588302 cites W2083222334 @default.
- W2056588302 cites W2083472226 @default.
- W2056588302 cites W2083699641 @default.
- W2056588302 cites W2084972630 @default.
- W2056588302 cites W2092424049 @default.
- W2056588302 cites W2104683717 @default.
- W2056588302 cites W2105571022 @default.
- W2056588302 cites W2105882727 @default.
- W2056588302 cites W2114407398 @default.
- W2056588302 cites W2120858721 @default.
- W2056588302 cites W2125405138 @default.
- W2056588302 cites W2129297328 @default.
- W2056588302 cites W2138675096 @default.
- W2056588302 cites W2142081679 @default.
- W2056588302 cites W2312906711 @default.
- W2056588302 cites W2318438280 @default.
- W2056588302 cites W2319496233 @default.
- W2056588302 cites W2321191632 @default.
- W2056588302 cites W2323398558 @default.
- W2056588302 cites W2410726949 @default.
- W2056588302 doi "https://doi.org/10.1103/physrevb.89.134105" @default.
- W2056588302 hasPublicationYear "2014" @default.
- W2056588302 type Work @default.
- W2056588302 sameAs 2056588302 @default.
- W2056588302 citedByCount "8" @default.
- W2056588302 countsByYear W20565883022015 @default.
- W2056588302 countsByYear W20565883022016 @default.
- W2056588302 countsByYear W20565883022017 @default.
- W2056588302 countsByYear W20565883022018 @default.
- W2056588302 countsByYear W20565883022021 @default.
- W2056588302 crossrefType "journal-article" @default.
- W2056588302 hasAuthorship W2056588302A5020517639 @default.
- W2056588302 hasAuthorship W2056588302A5060884745 @default.
- W2056588302 hasBestOaLocation W20565883022 @default.
- W2056588302 hasConcept C121332964 @default.
- W2056588302 hasConcept C127413603 @default.
- W2056588302 hasConcept C147597530 @default.
- W2056588302 hasConcept C147789679 @default.
- W2056588302 hasConcept C185592680 @default.
- W2056588302 hasConcept C188198153 @default.
- W2056588302 hasConcept C192562407 @default.