Computational prediction of new auxetic materials

There are very few inorganic materials with auxetic homogenous Poisson’s ratio in polycrystalline form. Here authors develop an approach to screening materials databases for target properties such as negative Poisson’s ratio by using stability and structural motifs to predict new instances of homoge...

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Autores principales: John Dagdelen, Joseph Montoya, Maarten de Jong, Kristin Persson
Formato: article
Lenguaje:EN
Publicado: Nature Portfolio 2017
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Acceso en línea:https://doaj.org/article/82292ab548c844e7be40fa476910b250
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Sumario:There are very few inorganic materials with auxetic homogenous Poisson’s ratio in polycrystalline form. Here authors develop an approach to screening materials databases for target properties such as negative Poisson’s ratio by using stability and structural motifs to predict new instances of homogenous auxetic behavior as well as a number of materials with near-zero Poisson’s ratio.