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Accession Number
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PB2013-100447
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Title
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First-Principles Multi-phase Equation of State of Carbon under Extreme Conditions.
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Publication Date
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Feb 2000
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Media Count
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16p
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Personal Author
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A. A. Correa D. A. Young L. X. Benedict
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Abstract
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We describe the construction of a multi-phase equation of state for carbon at extreme pressures based on ab initio electronic structure calculations of two solid phases (diamond and BC8) and the liquid. Solid-phase free energies are built from knowledge o ...
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Keywords
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Calculation methods
Carbon
Diamonds
Electronic structure
Equations of state
Free energy
Molecular dynamics
Multiphase flow
Phonons
Solid phases
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Source Agency
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Technical Information Center Oak Ridge Tennessee
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NTIS Subject Category
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71C - Carbon & Graphite
46 - Physics
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Corporate Author
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Lawrence Livermore National Lab., CA.
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Document Type
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Technical report
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Title Note
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N/A
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NTIS Issue Number
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1303
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Contract Number
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N/A
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