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Titlebook: Metal Clusters and Nanoalloys; From Modeling to App Marcelo Mario Mariscal,Oscar Alejandro Oviedo,Ezeq Book 2013 Springer Science+Business

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楼主: Gullet
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Global Optimization of Free and Supported Clustersng some general features of the potential energy surface (PES) of nanoparticles, we focus on the Basin-hopping (BH) algorithm and its variants. Applications to specific systems are discussed, both for free and supported nanoparticles.
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Structure and Chemical Ordering in Nanoalloys: Toward Nanoalloy Phase Diagramsntial of applications in the domains of catalysis, optics, and magnetism, even recently in biomedicine. The precise knowledge and control of their atomic structure, their morphology, and their chemical ordering are highly required in order to make the link between their structure and their propertie
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Spin-Fluctuation Theory of Cluster Magnetismas a function of the local exchange fields ξ. Representative results for the size, structural, and local-environment dependence of ..(ξ) in Fe. and Ni. clusters are discussed. The interplay between fluctuations of the module and of the relative orientation of the local magnetic moments is analyzed.
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Modelling Janus Nanoparticleso be applied to bimetallic nanoalloys where the Janus motif represents a layered segregation effect leading to two different chemical regions in the cluster. Janus nanoalloys have been proposed in magneto-optical applications, such as structural colourations on textile, and as flip-flop switchers in
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Thermodynamic Modeling of Metallic Nanoclustersly long way to go before quantitative predictions can be made.In Sect. 10.1 we briefly survey the historical evolution of the concepts of nucleation and growth, making reference to motivations, problems, and–wherever possible—solutions proposed. In Sect. 10.2 we present the basic concepts of nanothe
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