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Materials Structure and Data Group

The Materials Structure and Data Group develops and disseminates measurement science, standards, and technology for determination of the structure of advanced materials; determines, compiles, evaluates, and disseminates key data and computational tools needed to establish the relationships between structure and performance of inorganic and hybrid materials and devices.


Our group combines expertise in all major methods of structure determination, including X-ray and neutron total (Bragg plus diffuse) scattering, various derivations of X-ray and neutron small-angle scattering, X-ray absorption fine structure spectroscopy, diffraction and imaging tools available in a modern transmission electron microscope, spatially-resolved electron energy loss and X-ray energy dispersive spectroscopies, and electron paramagnetic resonance spectroscopy.   Experimental measurements are supplemented by first principles calculations of material structure and properties.   A strong emphasis is placed on the development of data analysis and structure modeling tools that integrate inputs from multiple measurement techniques and theory to obtaining a comprehensive structural solution across the length scales ranging from sub-nanometer to several nanometers to macroscopic.  Additionally, the group develops and maintains the widely used crystallographic and phase equilibria databases.


Materials Structure

Materials Structure resized
Methods and software for structural characterization using neutron and X-ray scattering, electron microscopy, spectroscopic tools, and first-principles calculations.

Semiconductors

TEM microscopy modelling
Atomic-resolution transmission electron microscopy methods for process control and failure analysis; multiscale modelling of electrical, thermal, and chemical properties. 

Carbon Mitigation

Carbon Mitigation adsorption solid
Measurements and modeling of structural mechanisms for gas adsorption in microporous solids.

Advanced Manufacturing

Advanced Manufacturing XRD
Measurements and modeling for characterizing material processes during additive manufacturing of metals and ceramics and other emerging manufacturing methods.

Standard Reference Data

SRD31 v5.2 Splash Page
Critically evaluated phase diagrams of inorganic materials.

Awards

News and Updates

Contacts

Group Leader

Office Manager

Group Safety Representative