Pressure effect on the icosahedral order of Pd50Si50 alloy: A molecular dynamics study
Molecular dynamics (MD) simulation based on Quantum Embedded Atom Method (EAM)
has been used to determine the effect of pressure on icosahedral (icos) order of Pd 50 Si 50
alloy system at nano-scale under different pressures. The icosahedral local order was
analysed with ideal icosahedral and defective icosahedral clusters in the system. The
Honeycutt-Andersen (HA) and cluster-type index (CTIM) methods have been proposed to
describe these clusters. The bond orientational order (BOO) parameters have been …
has been used to determine the effect of pressure on icosahedral (icos) order of Pd 50 Si 50
alloy system at nano-scale under different pressures. The icosahedral local order was
analysed with ideal icosahedral and defective icosahedral clusters in the system. The
Honeycutt-Andersen (HA) and cluster-type index (CTIM) methods have been proposed to
describe these clusters. The bond orientational order (BOO) parameters have been …
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