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Point process microstructural model of metallic thin films with implications for coarsening

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摘要 We develop a thin-film microstructural model that represents structural markers(i.e.,triple junctions in the two-dimensional projections of the structure of films with columnar grains)in terms of a stochastic,marked point process and the microstructure itself in terms of a grain-boundary network.The advantage of this representation is that it is conveniently applicable to the characterization of microstructures obtained from crystal orientation mapping,leading to a picture of an ensemble of interacting triple junctions,while providing results that inform grain-growth models with experimental data.More specifically,calculated quantities such as pair,partial pair and mark correlation functions,along with the microstructural mutual information(entropy),highlight effective triple junction interactions that dictate microstructural evolution.To validate this approach,we characterize microstructures from Al thin films via crystal orientation mapping and formulate an approach,akin to classical density functional theory,to describe grain growth that embodies triple-junction interactions.
出处 《npj Computational Materials》 SCIE EI CSCD 2023年第1期2074-2082,共9页 计算材料学(英文)
基金 K.B.acknowledges support from the U.S.National Science Foundation(NSF)grant DMS-1905492 the DMREF program under DMS-2118206 The work of Y.E.was partially supported by DMREF program NSF DMS-2118172 JMR acknowledges support from the U.S.National Science Foundation(NSF)DMREF grant DMS-2118197 C.L.acknowledges support from the U.S.National Science Foundation(NSF)DMREF grant DMS-2118181 Matthew Patrick is thanked for providing the processed PED data.
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