The patent badge is an abbreviated version of the USPTO patent document. The patent badge does contain a link to the full patent document.

The patent badge is an abbreviated version of the USPTO patent document. The patent badge covers the following: Patent number, Date patent was issued, Date patent was filed, Title of the patent, Applicant, Inventor, Assignee, Attorney firm, Primary examiner, Assistant examiner, CPCs, and Abstract. The patent badge does contain a link to the full patent document (in Adobe Acrobat format, aka pdf). To download or print any patent click here.

Date of Patent:
Sep. 15, 2020

Filed:

May. 17, 2017
Applicant:

Toyota Motor Engineering & Manufacturing North America, Inc., Erlanger, KY (US);

Inventors:

Chen Ling, Ann Arbor, MI (US);

Ying Zhang, Ann Arbor, MI (US);

Zhiqian Chen, Falls Church, VA (US);

Debasish Banerjee, Ann Arbor, MI (US);

Attorneys:
Primary Examiner:
Int. Cl.
CPC ...
C01B 25/14 (2006.01); C01B 11/06 (2006.01); C01G 28/00 (2006.01);
U.S. Cl.
CPC ...
C01B 25/14 (2013.01); C01B 11/062 (2013.01); C01G 28/002 (2013.01); C01P 2002/72 (2013.01); C01P 2002/77 (2013.01);
Abstract

Methods for representing crystal structure of inorganic materials in matrix form, and for quantitative comparison of multiple inorganic materials, can be employed to identify candidate materials with high potential to possess a desired property. Such methods can include conversion of an atomic coordinate set to a coordinate set for an anion only lattice, anion substitution, and unit cell re-scaling. Such methods can further include simulation of x-ray diffraction data for modified anion-only lattices, and generation of n×2 matrices from the simulated diffraction data. Quantitative structural similarity values can be derived from the n×2 matrices. The quantitative structural similarity values can be useful for structural categorization, as well as prediction of functional properties.


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