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Main Authors: Almishal, Saeed S. I., Miao, Leixin, Tan, Yueze, Kotsonis, George N., Sivak, Jacob T., Alem, Nasim, Chen, Long-Qing, Crespi, Vincent H., Dabo, Ismaila, Rost, Christina M., Sinnott, Susan B., Maria, Jon-Paul
Format: Preprint
Published: 2024
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Online Access:https://arxiv.org/abs/2404.15708
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author Almishal, Saeed S. I.
Miao, Leixin
Tan, Yueze
Kotsonis, George N.
Sivak, Jacob T.
Alem, Nasim
Chen, Long-Qing
Crespi, Vincent H.
Dabo, Ismaila
Rost, Christina M.
Sinnott, Susan B.
Maria, Jon-Paul
author_facet Almishal, Saeed S. I.
Miao, Leixin
Tan, Yueze
Kotsonis, George N.
Sivak, Jacob T.
Alem, Nasim
Chen, Long-Qing
Crespi, Vincent H.
Dabo, Ismaila
Rost, Christina M.
Sinnott, Susan B.
Maria, Jon-Paul
contents Interest in high-entropy inorganic compounds originates from their ability to stabilize cations and anions in local environments that rarely occur at standard temperature and pressure. This leads to new crystalline phases in many-cation formulations with structures and properties that depart from conventional trends. The highest-entropy homogeneous and random solid-solution is a parent structure from which a continuum of lower-entropy offspring can originate by adopting chemical and/or structural order. This report demonstrates how synthesis conditions, thermal history, and elastic and chemical boundary conditions conspire to regulate this process in Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O, during which coherent CuO nano-tweeds and spinel nano-cuboids evolve. We do so by combining structured synthesis routes, atomic-resolution microscopy and spectroscopy, density functional theory, and a phase field modeling framework that accurately predicts the emergent structure and local chemistry. This establishes a framework to appreciate, understand, and predict the macrostate spectrum available to a high-entropy system that is critical to rationalize property engineering opportunities.
format Preprint
id arxiv_https___arxiv_org_abs_2404_15708
institution arXiv
publishDate 2024
record_format arxiv
spellingShingle Order evolution from a high-entropy matrix: understanding and predicting paths to low temperature equilibrium
Almishal, Saeed S. I.
Miao, Leixin
Tan, Yueze
Kotsonis, George N.
Sivak, Jacob T.
Alem, Nasim
Chen, Long-Qing
Crespi, Vincent H.
Dabo, Ismaila
Rost, Christina M.
Sinnott, Susan B.
Maria, Jon-Paul
Materials Science
Interest in high-entropy inorganic compounds originates from their ability to stabilize cations and anions in local environments that rarely occur at standard temperature and pressure. This leads to new crystalline phases in many-cation formulations with structures and properties that depart from conventional trends. The highest-entropy homogeneous and random solid-solution is a parent structure from which a continuum of lower-entropy offspring can originate by adopting chemical and/or structural order. This report demonstrates how synthesis conditions, thermal history, and elastic and chemical boundary conditions conspire to regulate this process in Mg0.2Co0.2Ni0.2Cu0.2Zn0.2O, during which coherent CuO nano-tweeds and spinel nano-cuboids evolve. We do so by combining structured synthesis routes, atomic-resolution microscopy and spectroscopy, density functional theory, and a phase field modeling framework that accurately predicts the emergent structure and local chemistry. This establishes a framework to appreciate, understand, and predict the macrostate spectrum available to a high-entropy system that is critical to rationalize property engineering opportunities.
title Order evolution from a high-entropy matrix: understanding and predicting paths to low temperature equilibrium
topic Materials Science
url https://arxiv.org/abs/2404.15708