Characterization of polycrystalline materials by X-Ray Diffraction
Article REF: P1080 V3

Characterization of polycrystalline materials by X-Ray Diffraction

Authors : Sandrine TUSSEAU-NENEZ, Sophie NOWAK

Publication date: April 10, 2026 | Lire en français

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Overview

ABSTRACT

X-ray powder diffraction is a non-destructive method widely used in the academic and industrial worlds, thanks to considerable progresses over the last 30 years in equipment and data analyses. This article describes the experiment, reviewing the principle and describing the current set-ups. The key elements of the analysis are outlined (sample preparation, data collection). Structural information that can be extracted from a diffractogram is detailed, including phase identification, phase quantification, such as phase identification, phase quantification and microstructural analysis, while highlighting the biases and limitations.

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AUTHORS

  • Sandrine TUSSEAU-NENEZ: Defense Civil Engineer - Laboratory of Condensed Matter Physics, CNRS, École Polytechnique, Institut Polytechnique de Paris, Palaiseau, France

  • Sophie NOWAK: Research Engineer - ITODYS Laboratory (UMR 7086), Paris Cité University, Paris, France

 INTRODUCTION

Since the 1990s, thanks to advances in computing, X-ray diffraction has become increasingly widespread in academic laboratories and industry. The introduction of the first industrial powder diffractometers, combined with the Rietveld method, brought the technique into process control procedures. Synchrotrons have been the driving force behind numerous instrumental developments— [P 2 700] —that we benefit from in the laboratory today.

X-ray diffraction on powders, or more generally on polycrystalline materials, is widely used: it is a non-destructive technique that requires minimal sample preparation and can usually be performed in a non-specific environment (in air, at ambient temperature and pressure).

It is primarily used to identify a wide variety of materials, such as minerals, polymers, metals, cements, semiconductors, ceramics, and pharmaceuticals. It is used in the fields of cultural heritage [P 3 780] , energy [IN 403] , and nanomaterials [K 70] . It also enables:

  • to quantify the crystalline or amorphous phases present;

  • to identify preferred crystallographic orientations (or texture);

  • to describe the morphology—whether isotropic or anisotropic—as well as the size of the crystallites in nanopowders;

  • to identify and estimate the proportion of crystalline defects (stacking faults in lamellar materials, dislocation density in metal powders, vacancies, etc.).

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KEYWORDS

polycrystallines   |   X-Ray Diffraction   |   phase identification   |   structural and microstructural analyses

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Characterization of polycrystalline materials by X-ray diffraction

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