分子動力學(xué)模擬金屬團(tuán)簇的預(yù)熔化.pdf

1、Y901206碩士研究生學(xué)位論文新疆大學(xué)論文題目(中文)：分子動力學(xué)模擬金屬團(tuán)簇的預(yù)熔化論文題目(外文)：Moleculardynamicssimulationforpre～reeltingofmetalclusters研究生姓名：陳楚學(xué)科、專業(yè)：理論物理研究方向：場論與粒子物理導(dǎo)師姓名職稱：張軍教授段海明副教授論文答辯B期學(xué)位授予B期年月日年月日AbstractWiththerapidlydevelopmentofnanomateri

2、alsandnanotechnologymoreandmoreresearchfocusonmetalclusterduetotheirVeryimportantValueofapplicationThecharacterofclustercouldbethoughtof勰thetranslationfrommicroscopicstructuretomacroscopicbecauseitssizeisamidmoleculeandc

3、rysUflItisveryimportanttounderstandtheevolutionofmicroscopicstructureandproducehi蘸qualitynanomatefialsbystudyingthetran幽ormationofstructureandcharacterwhenclusterismeltingInthispapermeltingprocessesofmetalclusterswereinv

4、estigatedusingmoleculardynamicssimulationincombinationwithembeddedatompotentialswedetailedintroducethemethodofmoleculardynamicssimulation，includingpotentialenergyfunctions，equationofintegration，periodicboundaryconditions

5、andSOonThemeltingprocessesofAu55，F(xiàn)e55Na55clustershasbeeninvestigatedbymeansofmicrocanomicalmoleculardynamicssimulationtechniqueThecurvesofthepotentialenergiesandtheheatcapacityvar潮gwithtemperatureareobtainedTheresultshow

6、thattheclustershavepremeltingaroundmeltingpointToexplainthemicromechanicsofthepremeltingweanalyzetheenergyandstructureoftheseclustersuponpremeltingThroughcompartngthepremeltingtemperatureofthem，therelationbetweenthetempe