Ab Initio Computation Of The Fcc Pd-V Phase Diagram

  • G. Ceder
  • P. D. Tepesch
  • C. Wolverton
  • D. de Fontaine
Part of the NATO ASI Series book series (NSSB, volume 319)


The fcc Pd-V phase diagram is computed by means of a Monte Carlo simulation with pair and multiplet interactions up to the fourth nearest neighbor distance. The Monte Carlo simulation was made faster by sampling the configuration on small clusters around each lattice point.


Monte Carlo Pair Interaction Near Neighbor Neighbor Distance Point Cluster 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.


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Copyright information

© Springer Science+Business Media New York 1994

Authors and Affiliations

  • G. Ceder
    • 1
  • P. D. Tepesch
    • 1
  • C. Wolverton
    • 2
  • D. de Fontaine
    • 3
  1. 1.Department of Materials Science and EngineeringMassachusetts Institute of TechnologyCambridgeUSA
  2. 2.Physics DepartmentUniversity of California at BerkeleyBerkeleyUSA
  3. 3.Department of Materials Science and Mineral EngineeringUniversity of California at BerkeleyBerkeleyUSA

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