Literature DB >> 11019055

Calculated equation of state of al, cu, ta, mo, and W to 1000 GPa

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Abstract

Calculated Hugoniots and 293-K isotherms at pressures up to 1 TPa (10 Mbar) for the five reference metals Al, Cu, Ta, Mo, and W are reported using the classical mean-field approach where both the cold and the thermal parts of the Helmholtz free energy are derived entirely from the 0-K total energies and electronic density of states calculated with the full-potential linearized augmented plane wave method within the generalized gradient approximation to exchange correlational functional. Our approach permits efficient computation and invokes no empirical parameters. Both the experimental Hugoniots and 293-K isotherms are reproduced excellently.

Entities:  

Year:  2000        PMID: 11019055     DOI: 10.1103/PhysRevLett.84.3220

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  3 in total

1.  Pressure-enabled phonon engineering in metals.

Authors:  Nicholas A Lanzillo; Jay B Thomas; Bruce Watson; Morris Washington; Saroj K Nayak
Journal:  Proc Natl Acad Sci U S A       Date:  2014-06-02       Impact factor: 11.205

2.  Toward an internally consistent pressure scale.

Authors:  Yingwei Fei; Angele Ricolleau; Mark Frank; Kenji Mibe; Guoyin Shen; Vitali Prakapenka
Journal:  Proc Natl Acad Sci U S A       Date:  2007-05-02       Impact factor: 11.205

3.  Thermal equation of state of Molybdenum determined from in situ synchrotron X-ray diffraction with laser-heated diamond anvil cells.

Authors:  Xiaoli Huang; Fangfei Li; Qiang Zhou; Yue Meng; Konstantin D Litasov; Xin Wang; Bingbing Liu; Tian Cui
Journal:  Sci Rep       Date:  2016-02-17       Impact factor: 4.379

  3 in total

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