Molecular dynamics simulation of amorphous segregation in Ag-Rh alloys

(整期优先)网络出版时间:2003-03-13
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MoleculardynamicssimulationwascarriedouttoinvestigatetheliquidandamorphousmicrostructuresofbinaryAgx-Rh(100-x)(x=25,50,75inatomfraction)alloys.SegregationfeatureofhomogeneousinteratomicbindingofAg-Rhliquidwasfoundandprobed,whichcanberetainedintoamorphoussolidsuponrapidcooling.Homogeneousbindingmayoccurwhenthedifferenceintheelementalatomicsizesislessthan10%.Theicosahedrainliquidbeforetheformationofamorphousstateexistinastablestateandthenetworkformedby1551-clustersinmoltenalloyswouldinhibitthecrystallizationanddiffusionofatoms.Ahigherdegreeof1551-clusterswillbefavorabletoformmetallicglasses.