Quantitative Phase Analysis Device Using Diffracted Intensity Correction
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Solution Overview
Problem
Existing quantitative phase analysis methods require complex calculations, advanced software, and often necessitate a database of RIR values or crystal structural parameters, making them difficult for users to perform, especially when structural parameters are unknown or when high accuracy is not required.
Innovation Solution
A quantitative phase analysis device and method that calculates weight ratios of crystalline phases based on corrected diffracted intensities, Lorentz-polarization factors, chemical formula weights, and the sum of squares of electrons in each chemical formula unit, allowing for simpler analysis without the need for advanced databases or structural parameters.
Engineering Contradictions & Design Principles
Engineering Contradiction Analysis
1Measurement precision
If the Rietveld method is used for quantitative phase analysis, then measurement precision is improved, but device complexity increases due to requiring crystal structural parameters and advanced software
Solution Approach 1:
The patent extracts only the essential parameters needed for quantitative phase analysis (Lorentz-polarization factor, chemical formula weight, sum of squares of electrons) from the complex Rietveld method framework, eliminating the need for complete crystal structural parameters and advanced database systems while maintaining acceptable measurement precision
Solution Approach 2:
The patent replaces expensive, complex database systems and structural parameter requirements with simpler, readily available data (chemical formulas and basic physical constants), making the analysis accessible without requiring specialized databases or advanced software infrastructure
2Measurement precision
If the internal standard method is used for quantitative phase analysis, then measurement precision is improved, but ease of operation deteriorates due to requiring calibration curves and single-phase samples
Solution Approach 1:
The patent enables the system to perform quantitative phase analysis using only the sample's own diffraction data and basic chemical information, eliminating the need for external calibration standards, single-phase reference samples, or complex calibration curve generation procedures
Solution Approach 2:
The patent creates a universal analysis method that can handle multiple crystalline phases simultaneously using a single unified calculation approach, replacing the need for separate calibration procedures for each phase or standard material
3Ease of operation
If the RIR quantification method is used, then ease of operation is improved, but measurement precision deteriorates when RIR values are not available in databases
Solution Approach 1:
The patent introduces an intermediate calculation step that uses readily available chemical formula information (weights and electron counts) to compute correction factors, serving as a mediator between simple operation requirements and accurate measurement results when database values are unavailable
Applied Scientific Principles
This section explains which scientific principles are used to turn an abstract innovation direction into a practical engineering solution.
Function Achieved in This Case
Enables more straightforward and accurate quantitative phase analysis by distributing diffracted intensities among crystalline phases, even when structural parameters are unknown, reducing the complexity and computational demands of the process.
Implementation Method 1
a powder diffraction pattern of the sample is acquired, for example, by measurement using an X-ray diffractometer
Implementation Method 2
the powder diffraction pattern of the sample is a powder diffraction pattern acquired by adding up powder diffraction patterns of the plurality of crystalline phases contained in the sample based on contents
Data Source
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AI summary
Provided are an operation guide system, an operation guide method, and an operation guide program, which are capable of allowing a user to easily understand measurement of an X-ray optical system to be selected. A crystalline quantitative phase analysis device includes qualitative phase analysis result acquisition means for acquiring information on a plurality of crystalline phases contained in a sample, and weight ratio calculation means for calculating a weight ratio of the plurality of crystalline phases based on a sum of diffracted intensities corrected with respect to a Lorentz-polarization factor, a chemical formula weight, and a sum of squares of numbers of electrons belonging to each of atoms contained in a chemical formula unit, in the plurality of crystalline phases.