Physical review. B, Condensed matter · 1981 · 198 citations · 30 references
Natural SciencesMaterials SciencePhysicsComputational ThermodynamicsCondensed Matter PhysicsSolid State PhysicsAb Initio MethodsCondensed Matter TheoryHigh-pressure ThermodynamicsPhase EquilibriaPhase TransitionsStates Of MatterEffective Pair PotentialsInteratomic Potential ModelsIsotherm ModelingMelting Under PressurePressure Dependence Of MeltingPressure-volume CurvesPressure-volume LoopsPressure-volume Relations
An "exponential-six" interatomic pair potential, together with accurate statistical models for solid and liquid phases, is shown to yield good agreement with experimental pressure-volume and melting-curve data for $^{4}\mathrm{He}$ up to 120 kbar. For pressures from 120 kbar to 250 Mbar, linear-muffin-tin-orbitals electron-band-theory calculations have been used to obtain the $T=0$ pressure-volume isotherm. An effective pair potential is fitted to these results in order to compute the melting curve and shock Hugoniot curve in this region. The band-theory calculations indicate $T=0$ metallization at 112 Mbar.
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OK Andersen · Physical review. B, Solid state · 1975 · 6.5K citations · Full text
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