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Topic Title: Databases - Center for Atomic-scale Materials Design
Topic Summary: Skriver, H.L., DTU, Physical properties of solid metallic elements and alloys obtained by total energy calculations
Created On: 2/8/2007 4:58 PM

 2/8/2007 4:58 PM


Cathy Rohrer

Posts: 584
Joined: 2/6/2007

The CAMP database is a collection of physical properties of solid metallic elements and alloys obtained by total energy calculations based on density functional theory. The binary alloy database contains the calculated heat of formation, mass density, bulk modulus, Gr√ľneisen parameter, and thermal expansion coefficient for 8685 binary alloys. Surface energies, segregation energies and structural energy differences for most of the metals in the periodic table can be found. In addition, there is useful information on such subjects as equilibrium crystal structures, atomic volumes, Wigner-Seitz radii, and d-band occupation.

CITATION: "Databases," Skriver, H.L., Center for Atomic-scale Materials Design, Department of Physics, Technical University of Denmark. 16.04.2007.

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