Journal
ACTA MATERIALIA
Volume 54, Issue 19, Pages 5293-5304Publisher
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.actamat.2006.07.012
Keywords
molecular dynamics; ab initio calculation; metastable phases; ion-beam processing; metallic glasses
Ask authors/readers for more resources
For an immiscible Au-Co system at equilibrium, a calculated Gibbs free energy diagram suggests that the composition range favoring metallic glass formation is approxamately 22-83 at.% Co and that the nonequilibrium crystalline phases at both Co75Au25 and Co25Au75 prefer to be in a face-centred cubic (fcc) structure. Based on a proven realistic n-body Au-Co potential, molecular dynamics simulations predict that the metallic glass-forming range of the Au-Co system is 18-88 at.% Co. Employing the Vienna ab initio simulation package, the first principles calculations indicate that the Ll(2) (fcc) and D0(19) (hexagonal close packed (hcp)) structures could relatively be stable for both nonequilibrium crystalline AuCo3 and Au3Co phases, whereas the B-h (hcp) structure could be stable for the AuCo phase. Interestingly, ion beam manipulation confirms that a uniform Au42Co58 amorphous phase is indeed obtained and that some nonequilibrium fcc-type and hcp-type Au-Co phases can also be formed, the lattice constants of which are in agreement with those derived from the ab initio calculations. (c) 2006 Published by Elsevier Ltd on behalf of Acta Materialia Inc.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available