Structure of Ca-Mg-Zn Metallic Glasses (Preprint)
Journal article preprint
UES INC DAYTON OH
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The amorphous structure of four Ca60MgXZn40-X alloys X 10, 15, 20, and 25 at. has been modeled using a set of experimental neutron and X-ray scattering data, peak fit analysis, and Reverse Monte Carlo RMC simulation. The amorphous structure can be described as a mixture of Mg- and Zn- centered clusters, with Ca dominating in the first coordination shell of these clusters. The coordination number CN of 10 with about 7 Ca and 3 MgZn atoms is the most common for the Zn-centered clusters. CN 11 and 12 with about 7-8 Ca and 4 MgZn atoms are the most common for the Mg-centered clusters. Fife-fold bond configurations pentagonal pyramids dominate 60 in the first coordination shell of the clusters, suggesting densely atomic packing. Bond angle distributions suggest the near-equilateral triangles and pentagonal pyramids to be the most common nearest atom configurations. Two Ca-Mg-Zn alloys with inferior GFA have increased amounts of 0,0,12,0, 0,2,8,1, 0,2,8,2 and 0,4,4,3 clusters, which suggests that these clusters may facilitate crystallization.
- Metallurgy and Metallography