In the vast field of materials science, powder diffraction is undoubtedly an important method. This technique uses X-ray, proton or electron diffraction to study the structural characteristics of powdered or microcrystalline samples. Compared with single crystal diffraction technology that relies on a single crystal, powder diffraction technology truly shows great advantages in analysis and is widely used in various scientific researches.
Powder diffraction enables rapid and non-destructive analysis of multi-component mixtures without the need for tedious sample preparation.
The basic principle of powder diffraction is to use the atomic structure inside the substance to analyze the diffraction behavior of incident radiation. Unlike single crystal diffraction techniques, where multiple crystal orientations exist in a powder sample, powder diffraction assumes that the sample has randomly arranged properties. This allows scientists to obtain X-ray diffraction signals with the correct orientation of each crystal face.
The typical instrument in powder diffraction is called a powder diffractometer, which uses electromagnetic radiation of known wavelength and frequency to make measurements. When these waves hit the sample, part of the radiation is reflected, while part enters the crystal lattice and is diffracted by the atoms within the sample. This process mainly obeys Bragg's law, in which diffraction maxima occur at specific wavelengths and distances between atoms within the crystal.
Every powder sample contains every possible crystal orientation, so statistically reliable data can be obtained.
Powder diffraction technology is widely used in many fields, including metallurgy, mineralogy, chemistry, forensics, archaeology, etc. This technology can be used to quickly identify unknown materials and provides high precision and accuracy in material characterization, making it an important tool in the legal enforcement process.
By comparing the diffraction pattern to known standards, researchers can identify structural features of the powder. With advances in hardware and software, the analytical capabilities of powder diffraction technology have significantly improved, thereby accelerating experimental processes and enhancing the quality of data.
The utility of powder diffraction technology lies in its ability to analyze multiphase materials to understand how the materials interact in a specific matrix.
One of the cores of powder diffraction is the ability of phase identification. Each crystalline solid has its own unique diffraction pattern, and the different diffraction patterns provide scientists with a "fingerprint." Because of this, multiphase mixtures such as clay samples can display multiple overlapping diffraction patterns, which enables the determination of relative concentrations.
In the development of powder diffraction technology, the challenges of phase identification and structure determination are issues that scientists need to confront head-on.
Although structure determination from powder diffraction data is very challenging, a variety of tools and programs available on the market (such as Rietveld method, TOPAS, etc.) can help analyze and expand the scope of research. These methods allow researchers to gradually refine the structures of known materials and may lead to the discovery of new solid phases.
From the application of powder diffraction, this technology can help improve the understanding of sample properties and enable instant analysis without complex sample preparation. This property is particularly useful for focusing on how different materials react, such as ingredients in pharmaceuticals, mechanical welding, or even analyzing pigments in historical paintings.
Powder diffraction is particularly suitable for identifying and classifying minerals and can be used on almost any raw material as long as a suitable reference pattern is available.
In short, the transition from single crystals to powders is not only an evolution of technology, but also the scientific community’s continued exploration of accuracy and efficiency. As powder diffraction technology continues to advance, we can’t help but wonder: How else can this technology advance the scientific community and make progress in new fields in the future?