Physical Review Letters · 2019 · 42 citations · 33 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMechanical Behavior Of MaterialsMolecular PhysicsAb Initio MethodsDensity Functional TheoryHigh-pressure ThermodynamicsShock ResponseShock WavesStates Of MatterAb Initio CalculationsAb Initio Molecular CalculationsCompressionFirst-principles ModelingFluid CompressibilityLaser-driven Shock WavesShock DynamicsShock Wave Dynamics
We present laser-driven shock compression experiments on cryogenic liquid deuterium to 550 GPa along the principal Hugoniot and reflected-shock data up to 1 TPa. High-precision interferometric Doppler velocimetry and impedance-matching analysis were used to determine the compression accurately enough to reveal a significant difference as compared to state-of-the-art ab initio calculations and thus, no single equation of state model fully matches the principal Hugoniot of deuterium over the observed pressure range. In the molecular-to-atomic transition pressure range, models based on density functional theory calculations predict the maximum compression accurately. However, beyond 250 GPa along the principal Hugoniot, first-principles models exhibit a stiffer response than the experimental data. Similarly, above 500 GPa the reflected shock data show 5%-7% higher compression than predicted by all current models.
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Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text
Natural Sciences, Chemistry, Physics +16