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公开(公告)号：US20220246250A1
公开(公告)日：2022-08-04
申请号：US17622867
申请日：2019-10-22
发明人： Zhongmin YANG , Guoquan QIAN
摘要： The present invention relates to a method for searching for a structural gene of glass, including the following steps: determining atomic species for structure search according to the glass system; performing structural screening on the basis of the first principle to screen out compounds that can be formed by the interaction between each of the atoms; comparing the formation energy and the phonon spectrum of each compound to obtain stable compounds; and constructing a metastable composition diagram of a glass system according to the stable compounds, in metastable composition diagram, a micro-structural unit of a glassy compound near a target glass composition point is the structural gene of glass in the metastable glass composition diagram.
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公开(公告)号：US20210407628A1
公开(公告)日：2021-12-30
申请号：US16764406
申请日：2019-07-25
发明人： Zhongmin YANG , Guoquan QIAN
摘要： A method for performance prediction of a functional glass system, which includes the following steps: determining species of atoms for structural search according to components of a target glass system; performing structural search based on a first principle to search out compounds that can be formed by interaction between the atoms; comparing a formation energy and a phonon spectrum of each of the compounds to obtain stable compounds; constructing a glass structural composition diagram according to the stable compounds, microstructural units of a glassy compound adjacent to a target glass composition point are structural genes of the glass; and calculating a property of the target glass according to a leverage model formula of a multiplex glass system, the leverage model formula of the multiplex glass system being P0=Σi=1nPi×Li.
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