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Icosahedral ordering in Zr41Ti14Cu12.5Ni10Be22.5 bulk metallic glass.
- Source :
- Applied Physics Letters; 5/19/2008, Vol. 92 Issue 20, p201913, 3p, 1 Diagram, 2 Graphs
- Publication Year :
- 2008
-
Abstract
- This paper presents a computational evidence of icosahedral short and medium range ordering in Zr<subscript>41</subscript>Ti<subscript>14</subscript>Cu<subscript>12.5</subscript>Ni<subscript>10</subscript>Be<subscript>22.5</subscript> bulk metallic glass using ab initio molecular dynamics simulation. It is found that 1551, 1541, and 1431 types of bond pairs are pronounced in both the liquid and glass states, resulting in icosahedral coordinate polyhedra at low temperatures. By linking the individual icosahedra through vertex-, edge-, face-, and intercross-shared atoms, icosahedral medium range ordering is formed. The predicted homogenized structure factor and pair correlation function of the glass structure have been confirmed to be in agreement with the experimental results. [ABSTRACT FROM AUTHOR]
- Subjects :
- METALLIC glasses
ZIRCONIUM
TITANIUM
COPPER
NITROGEN
BERYLLIUM
MOLECULAR dynamics
Subjects
Details
- Language :
- English
- ISSN :
- 00036951
- Volume :
- 92
- Issue :
- 20
- Database :
- Complementary Index
- Journal :
- Applied Physics Letters
- Publication Type :
- Academic Journal
- Accession number :
- 32469116
- Full Text :
- https://doi.org/10.1063/1.2931702