The primary goal of single-crystal x-ray diffraction is to determine crystal structure and the arrangement of atoms in a unit cell. This article discusses the diffraction of light through line gratings and explains the significance of crystal symmetry, space groups, and diffraction intensities. It also addresses phase and crystallographic analysis along with related challenges, and presents several application examples highlighting various experimental techniques.

This article provides a detailed account of the concepts of single-crystal x-ray diffraction (XRD). It begins with a historical review of XRD methods, followed by a description of the various factors involved in crystal symmetry. The article then focuses on the phase problem in x-ray structural analysis and validation of the structural model. Some of the factors to be considered for performing experimental procedure are provided. The article presents several examples of applications of single-crystal XRD. The following sections cover the crystallographic problem in terms of structural analysis, software programs for crystal structure solution and refinement, and visualization of crystal structures. The article ends with a discussion on various databases available for single-crystal XRD analysis.

This article discusses the central aspect of anisotropy modeling, namely, texture measurement and analysis. It provides an overview of the methods available for characterizing crystallographic preferred orientation, or texture, in polycrystalline materials. These methods include pole figure measurement and electron backscatter diffraction (EBSD). The article describes the process considerations for pole figure measurement, including X-ray diffraction, neutron diffraction, stereographic projection, equal area projection, graphing pole figures, typical textures, and orientation distribution. It also deals with the limitations and challenges associated with the EBSD, and applications of the diffraction.

This article outlines several polycrystal formulations commonly applied for the simulation of plastic deformation and the prediction of deformation texture. It discusses the crystals of cubic and hexagonal symmetry that constitute the majority of the metallic aggregates used in technological applications. The article defines the basic kinematic tensors, reports their relations, and presents expressions for calculating the change in crystallographic orientation associated with plastic deformation. It surveys some of the polycrystal models in terms of the relative strength of the homogeneous effective medium (HEM). The article analyzes the anisotropy predictions of rolled face-centered-cubic and body centered-cubic sheets and presents simulations of the axial deformation of hexagonal-close-packed zirconium. The applications of polycrystal constitutive models to the simulation of complex forming operations, through the use of the finite element method, are also presented.

This article provides an explanation on how crystal plasticity is implemented within finite element formulations by the use of physical length scales: crystal scale and continuum scale. It provides theoretical formulations for kinematic framework for deforming crystals and polycrystals, elastic and plastic behaviors of single crystals, refinements to the single-crystal constitutive, and crystal-scale finite-element. The article also presents examples that illustrate the capabilities of the formulations at the length scales.

Crystallographic texture measurement and analysis is an important tool for correlating material properties with microstructural features. This article describes the general approach to quantifying crystallographic texture, namely, the collection of statistical data from grain measurements and subsequent analysis based on Euler plots (i.e., pole figures), orientation distribution functions, and stereographic projections. Using detailed illustrations and examples, it explains the significance of preferred crystallographic orientations and their influence on properties and material behavior. The article also discusses sample selection and preparation as well as the challenges and limitations of various methods.

This article describes the methods of X-ray diffraction analysis, the types of information that can be obtained, and its interpretation. The discussion covers the basic theories of X-rays and various types of diffraction experiments, namely single-crystal methods for polychromatic and monochromatic beams, powder diffraction methods, and the Rietveld method.

X-ray diffraction techniques are useful for characterizing crystalline materials, such as metals, intermetallics, ceramics, minerals, polymers, plastics, and other inorganic or organic compounds. This article discusses the theory of x-rays and how they are generated and detected. It also describes the crystalline nature of certain materials and how the geometry of a unit cell, and hence crystal lattice, affects the direction and intensity of diffracted x-ray beams. The article concludes with several application examples involving measurements on single and polycrystalline materials.

Low-energy electron diffraction (LEED) is a technique for investigating the crystallography of surfaces and overlayers adsorbed on surfaces. This article describes the principles of diffraction from surfaces, and elucidates the method of sample preparation to achieve diffraction patterns. The article describes the limitations of surface sensitive electron diffraction and discusses the applications of LEED with examples.

This article defines crystallographic terms and concepts, including crystal structure, unit cell, structure symbols, lattice, space-group notation, and atom position. It schematically illustrates the atom positions, prototypes, structure symbols, space-group notations, and lattice parameters for some of the simple metallic crystals. A table that lists the crystal structures of various metal elements is presented. The crystal structures are described by the Pearson symbols for crystal system, space lattice, total number of atoms per unit cell, and prototype structure. The article tabulates the assorted structure types of metallurgical interest arranged according to Pearson symbol. It also provides information on crystal defects, explaining some significant ones, such as point defects, line defects, stacking faults, and twins.

This article describes crystallographic terms and concepts and illustrates various crystal structures. The crystallographic terms described include crystal structure, unit cell, crystal system, lattice, structure symbols, space-group notation, structure prototype, atom positions, point groups, and equivalent positions. The article presents a table of assorted structure types of metallurgical interest arranged according to the Pearson symbol. It also schematically illustrates atom positions, prototypes, structure symbols, space-group notations, and lattice parameters for some of the simple metallic crystals. The article concludes with a description of some of the most significant crystal defects such as point defects, line defects, and stacking faults.

The crystal structure of a material is an important aspect of corrosion and oxidation processes. This article provides a general introduction to the crystal structure of materials, providing information on the crystal systems, lattice dimensions, nomenclature, and solid-solution mechanisms used to characterize structures. It illustrates the unit cells and ion positions for some simple metal crystals, arranged alphabetically according to the Pearson symbol. The space lattice and crystal system, space-group notation, and prototype for each crystal are also illustrated.

Low-energy electron diffraction (LEED) is a technique for investigating the crystallography of surfaces and overlayers adsorbed on surfaces. This article provides a brief account of LEED, covering the principles and measurements of diffraction from surfaces. Some of the processes involved in sample preparation are described. In addition, the article discusses the limitations of surface-sensitive electron diffraction and the applications of LEED with examples.