TY - JOUR
T1 - Short-to-medium-range order in Mg65Cu25Y10 metallic glass
AU - Hui, X.
AU - Gao, R.
AU - Chen, G. L.
AU - Shang, S. L.
AU - Wang, Y.
AU - Liu, Z. K.
PY - 2008/4/21
Y1 - 2008/4/21
N2 - The atomic configurations of liquid and glassy Mg65Cu25Y10 alloy have been simulated in the temperature range of 300 K to 2000 K via ab initio molecular dynamics. The variations of pair correlation function (PCF), structure factor (SF), coordination number (CN) and bond pairs with the temperature for this alloy are characterized. It has been shown that the atoms are near densely packed and icosahedral type of short-range order (SRO) is predominant in the glass state. Icosahedral medium range order (MRO) can be formed by vertex or intercross connection of icosahedral SROs. In this work, an icosahedral MRO which is composed of 55 atoms has been found. It has been also clarified that Mg and Cu occupy the centre or vertex, and Y atoms only occupy the vertex of the icosahedron in this glassy alloy. It is believed that these findings have implication for understanding the glass forming mechanism of magnesium based metallic glasses.
AB - The atomic configurations of liquid and glassy Mg65Cu25Y10 alloy have been simulated in the temperature range of 300 K to 2000 K via ab initio molecular dynamics. The variations of pair correlation function (PCF), structure factor (SF), coordination number (CN) and bond pairs with the temperature for this alloy are characterized. It has been shown that the atoms are near densely packed and icosahedral type of short-range order (SRO) is predominant in the glass state. Icosahedral medium range order (MRO) can be formed by vertex or intercross connection of icosahedral SROs. In this work, an icosahedral MRO which is composed of 55 atoms has been found. It has been also clarified that Mg and Cu occupy the centre or vertex, and Y atoms only occupy the vertex of the icosahedron in this glassy alloy. It is believed that these findings have implication for understanding the glass forming mechanism of magnesium based metallic glasses.
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U2 - 10.1016/j.physleta.2008.01.031
DO - 10.1016/j.physleta.2008.01.031
M3 - Article
AN - SCOPUS:41349084151
SN - 0375-9601
VL - 372
SP - 3078
EP - 3084
JO - Physics Letters, Section A: General, Atomic and Solid State Physics
JF - Physics Letters, Section A: General, Atomic and Solid State Physics
IS - 17
ER -