Abstract

X-ray diffraction (XRD) is an important and widely used material characterization technique. With the recent development in material science technology and understanding, various new materials are being developed, which requires upgrading the existing analytical techniques such that emerging intricate problems can be solved. Although XRD is a well-established non-destructive technique, it still requires further improvements in its characterization capabilities, especially when dealing with complex mineral structures. The present review conducts comprehensive discussions on atomic crystal structure, XRD principle, its applications, uncertainty during XRD analysis, and required safety precautions. The future research directions, especially the use of artificial intelligence and machine learning tools, for improving the effectiveness and accuracy of the XRD technique, are discussed for mineral characterization. The topics covered include how XRD patterns can be utilized for a thorough understanding of the crystalline structure, size, and orientation, dislocation density, phase identification, quantification, and transformation, information about lattice parameters, residual stress, and strain, and thermal expansion coefficient of materials. All these important discussions on XRD analysis for mineral characterization are compiled in this comprehensive review, so that it can benefit specialists and engineers in the chemical, mining, iron, metallurgy, and steel industries.

Highlights

  • Materials are made up of atoms arranged in crystal microstructures [1]

  • The present paper provided a synopsis of crystal structures, the X-ray diffraction (XRD) principle, and its engineering applications

  • Following are the summarized points of this review:. These days, several mineral characterization operations including crystallite size measurement, residual stress and strain measurement within the crystal, determination of crystal structure, and others are conducted with sophisticated equipment and automated procedures

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Summary

Introduction

Materials are made up of atoms arranged in crystal microstructures [1]. Minerals are crystalline inorganic solids possessing well-defined chemical composition and are formed through natural processes. XRD is a non-destructive testing technique, which can be employed for examining a wide variety of materials including minerals, polymers, plastics, metals, semiconductors, ceramics, and solar cells [10]. This technique is extensively used in power generation, aerospace, microelectronics, and other industries [11]. Magner et al [14] studied the role of XRD in measuring the retained austenite content in heat-treated steels for ensuring product quality They investigated historical developments of XRD methods, applications, and techniques from the early 1930s related to austenite retention. The present article aims at reviewing the technical and systematic information about the crystal structure, XRD, and its connection with practical applications for providing an introductory self-training

Crystal Structure
Ewald Theory
Applications of X-ray Diffraction in Mineral Characterization
Phase Identification and Quantification
Lattice Parameters
Crystalline Structure
Crystal Size and Orientation
Phase Transformation
Residual Stress and Strain
Dislocation Density
Thermal Expansion Coefficient
Examples of XRD-Characterized Minerals and Complementary Techniques
Sources of Error
Detection Limits
Quantification Limits
Crystallinity
Safety Considerations
Future Research Directions
Findings
Conclusions
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