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Developing EAM Tantalum Potential Using Force Matching
 

Summary: Developing EAM Tantalum
Potential Using Force Matching
Method
Youhong Li
Donald J. Siegel
James B. Adams
Motivation:
Improve existing Ta Potential by including
DFT data
BCC Ta Analytical Form EAM potential By R.A. Johnson, D. J.
Oh ------Bulk modulus 1.35GPa vs. 1.94 GPa (expt.)
Apply the potential to Simulation of Thin
film Growth
Tantalum used as barrier / adhesion layer for Copper film growth
EAM
Embedded Atom Method
- Developed by Daw and Baskes
Embedding energy
Pair potential
tot i

  

Source: Adams, James B - Department of Chemical and Materials Engineering, Arizona State University

 

Collections: Materials Science