社会情感优化算法在团簇结构优化中的应用.研究

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1、万方数据technologyisintroducedinthispaper，reducingtheoptimizationofLJclustersdifficulttooptimizethenumberof310，whichhavebeenoptimizedthestructureofA943．LatticeSearchingtechniqueistooptimizetheatomsonitspossiblepositions，andmayselectanoptimallocationtooptimizet

2、helocationthroughthealgorithm．ThispaperintroducesthediscreteoptimizationofsocialemotionsandtheintroductionofalatticeSearchingtechnique，whichreducesthescopeofthesearchandturnsthesearchspaceintoseveraldiscretepoints，SOtheoptimizationeffectissignificantlybett

3、erthantheprevioustwooptimizationmethods．Tosimplifythealgorithmandgettheoptimizationalgorithmshortenthetimedependsonthegrowthcharacteristicsofclusterstructureclusteratoms，whichgrowfromtheinsideout，filledonlyaftertheinneratomicarrangementofatomsintheouterlay

4、er，andoptimizedclustersinthisarticle．Onlytheoutermostlayerofthestructureoptimization，thedefaultisthefullatomicstructureoftheinnerlayershell．Thiswillnotonlyimprovethesuccessrateofthealgorithm，butalsoshortentheoptimizationtime．AndoptimizedLJ582．Keywords：Glob

5、aloptimization；Socialemotionoptimizationalgorithm(SEOA)；L-BFGS；LJclustersandAgclusters；Seedingtechnique；LatticesearchingtechniqueIV万方数据目录第一章全局优化算法与团簇结构⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．11．1全局优化算法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯11．1．1确定型优化算法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．11．1．2随机型优化算法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．21．

6、2团簇简介⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．41．3Lennard—Jones势函数⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．41．4Lennard—Jones原子团簇⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．51．4．1优化难点⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．51．4．2LJ原子团簇的结构⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．71．4．3基于团簇结构的优化算法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．91．4．4LJ团簇结构的研究现状⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯lO1．5Ag团簇⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．1l1．5．1A

7、g的研究意义⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．111．5．2Ag团簇的势函数⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯121．6本论文的结构⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．12第二章社会情感优化算法用于能量最小化问题⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯。152．1社会情感优化算法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．152．2局部优化算法一限域拟牛顿优化算法L—BFGS⋯⋯⋯⋯⋯⋯⋯⋯．172．2．1牛顿法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．172．2．2拟牛顿法⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯172．2．3限域拟牛顿算法⋯⋯⋯

8、⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯192．3算法流程与仿真结果⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．192．3．1算法介绍⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．192．3．2算法流程⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯2l2．3．3仿真结果⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯212．4团簇优化结果⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．．302．4．1LJ团簇的优化结果⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯⋯．302．4．2Ag团簇的优化结果⋯⋯⋯