[X-ray diffraction quantitative analysis with polynomial-fit method for polycrystalline materials].

Area of Science:

• Materials Science
• Crystallography
• Analytical Chemistry

Context:

• Quantitative analysis of polycrystalline materials using X-ray diffraction (XRD) is crucial for material characterization.
• Traditional methods can be complex and time-consuming, requiring accurate peak identification and integration.
• Developing efficient and accurate analytical techniques is essential for advancing materials research.

Purpose:

• To present a novel polynomial-fit method for XRD quantitative analysis.
• To combine mathematical modeling with computer technology for improved accuracy.
• To accurately determine the integral intensities of diffraction peaks and weight percentages of each phase in polycrystalline mixtures.

Summary:

• The polynomial-fit method models diffraction peaks using mathematical functions and analyzes experimental XRD data via whole pattern fitting.
• This approach leverages the principle that mixture diffraction patterns are weighted superpositions of component patterns.
• The method accurately calculates phase weight percentages by fitting these models to experimental spectral lines using computer software.

Impact:

• Simplifies the data handling process in XRD quantitative analysis.
• Significantly increases the accuracy of analytical results for polycrystalline materials.
• Provides a more efficient and reliable method for phase quantification in materials science.