XRD-based ternary composite material chip structure analysis system and method

Abstract

The invention discloses an XRD-based ternary composite material chip structure analysis system and an XRD-based ternary composite material chip structure analysis method. The XRD-based ternary composite material chip structure analysis method comprises the following steps of: analyzing XRD data and coordinate data in a material spectrogram, determining peak values according to a three-strong-peakprinciple, and acquiring a peak value distribution diagram; dividing all the peak values into a plurality of intervals required by candidate base vector discrimination according to a peak value interval aggregation algorithm, and acquiring all base vectors by using a base vector algorithm according to the intervals; and finally, judging whether each material spectrogram has a base vector and a composite condition thereof, and carrying out structure calibration. According to the XRD-based ternary composite material chip structure analysis method and the XRD-based ternary composite material chipstructure analysis system, a phase diagram can be rapidly constructed, a hierarchical clustering method is used as a reference object to assist in adjusting and analyzing the phase diagram, and an efficient XRD data analysis and phase diagram rapid construction solution is provided for scholars in the material science professional field.

Description

technical field [0001] The invention relates to a technology in the field of computer-aided material analysis, in particular to an XRD-based ternary combination material chip structure analysis system and method. Background technique [0002] According to the XRD (X-ray Diffraction Spectrum) data of the combined material, the spectral data is clustered by PCA dimensionality reduction technology and hierarchical clustering method, so as to construct the phase diagram and use it to observe the change trend of the XRD data. Computer-aided material analysis techniques. However, most of the existing analysis techniques only cluster the spectra from the data surface, ignoring the original physical properties of the material, which makes the construction accuracy of the phase diagram inaccurate. [0003] In the current materials science community, the peak position of the possible crystal structure is artificially calibrated according to the prior knowledge in the field, and then ...

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Problems solved by technology

However, most of the existing analysis techniques only cluster the spectra from the data surface, ignoring the original physical properties of the material, which makes the construction accuracy of the phase diagram inaccurate

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