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中国物理学会期刊

低能Pt原子团簇沉积过程的分子动力学模拟

CSTR: 32037.14.aps.51.2798

Moleculardynamicssimulationsoflow energyPtclusterdeposition

CSTR: 32037.14.aps.51.2798
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  • 利用分子动力学模拟系统研究了低能Pt38,Pt141和Pt266原子团簇与Pt(001)表面的相互作用过程,详细分析了初始原子平均动能为0.1,1.0和10eV的原子团簇的沉积演化过程及其对基体表面形貌的影响.研究表明,初始原子平均动能是描述低能原子团簇的重要参量.当团簇的平均原子动能较低时,团簇对基体表层原子点阵损伤较小,基本属于沉积团簇;随着入射团簇的原子平均动能的增加,团簇对表层原子点阵结构的破坏能力增强,当团簇的原子平均动能增加到10eV时,团簇已经显现出注入特征.低能原子团簇对基体表面形貌的影响

     

    Moleculardynamicssimulationshavebeenappliedtotheinvestigationofthedepositionoflow energyPt3 8,Pt1 41 ,andPt2 6 6clustersonPt(0 0 1 )surface .Theevolutionprocessofclusterdepositionwithatomicaveragekineticenergies (Ea)of0 .1 ,1 .0and 1 0eVandtheeffectsonthesubstratesurfacemorphologyhavebeenanalyzed.SimulationresultsshowthatEaisanimportantparametertodescribebehavioursoftheclustes.ClusterswithlowEacannotdamagethesurfacelatticeseriouslyandtheclusterscanbeconsideredasadepositioncluster.ThepowerofclusterdamagingsurfacelatticeincreaseswiththeincreaseofEa.WhenEa=1 0eV ,theclusterscanimplantintothesubstrate.TheeffectsoflowenergeticclustersonsubstratesurfacemorphologyarealsodeterminedbyEa.Theeffectsofclusterswithmoreatoms,however,arestrongerthanthatwithfeweratoms.Themecha nismsoftheinteractionsbetweenlow energyclustersandsubstratesurfacearealsodiscussedinthispaper

     

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