The High Pressure Multiphase Equation of State of Carbon

(整期优先)网络出版时间:2018-02-12
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Thehighpressureequationofstateforcarbonisconstructedbysomesimplephysicalmodels.Forsolidstate,amultiphaseequationofstateisconsidered,whichincludesfoursolidstates.Forliquidstate,theliquidperturbationtheoryofCRISmodelisused.Inthehightemperature,theelectroniccontributionisobtainedbytheionizationequilibriumtheory.Theresultofourcalculationbasedontheabovemodelsiscomparedwiththefirstprincipledensityfunctionalcalculationandtheothermodels.TheHugoniotandthephasediagramofcarbonarealsocomparedwiththeexperiments.Theresultsaresatisfactory.