Simulated X-ray diffraction spectra for analysis of crystalline materials
US9589098B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Nov 23, 2010 |
| Grant date | Mar 7, 2017 |
| Priority date | — |
| Expiry date | Dec 22, 2031 |
Classification
- Technology area (CPC Y)Emerging Cross-Sectional Technologies
- CPC primaryY02E60/10
- WIPO fieldElectrical machinery, apparatus, energy
- WIPO sectorElectrical engineering
Abstract
Methods and computer programs to quantify defects in an experimentally synthesized material for use in a battery are provided. A method includes an operation for obtaining spectra of the experimentally synthesized material. Further, defected structures of a crystalline structure are created via simulation, and spectra of the defected structures are obtained via simulation. In another method operation, the spectra of the experimentally synthesized material is compared to the spectra of the defected structures obtained via simulation, and if the spectra of the experimentally synthesized material is substantially equal to the spectra of the defected structures obtained via simulation then the defects in the experimentally synthesized material are quantified according to the defects in the defected structures.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.