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Accession Number PB2013-100447
Title First-Principles Multi-phase Equation of State of Carbon under Extreme Conditions.
Publication Date Feb 2000
Media Count 16p
Personal Author A. A. Correa D. A. Young L. X. Benedict
Abstract 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 ...
Keywords Calculation methods
Carbon
Diamonds
Electronic structure
Equations of state
Free energy
Molecular dynamics
Multiphase flow
Phonons
Solid phases


 
Source Agency Technical Information Center Oak Ridge Tennessee
NTIS Subject Category 71C - Carbon & Graphite
46 - Physics
Corporate Author Lawrence Livermore National Lab., CA.
Document Type Technical report
Title Note N/A
NTIS Issue Number 1303
Contract Number N/A

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