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Thermodynamics and Kinetics Group

The Thermodynamics and Kinetics Group develops measurement methods, models, data, standards, and science for the thermodynamics, kinetics, phase transformations, microstructure evolution, and properties of materials (e.g., metals, semiconductors, inorganics) of technological interest. The Group provides expertise in materials models development, intrinsic property measurements, and data informatics needed to define processing, structure and
 

Group Competence

CALPHAD-Based Methods

Phase Field Modeling

Atomistic Scale First Principles Modeling

Diffusion, Solidification, Surface energy driven Processes

DTA/DSC/Dilatometry/X-ray Diffraction/Microscopy/Metals Processing

Group Activities

News and Updates

Coining Less Expensive Currency

Credit: K. Irvine/NIST When designing a new coin, U.S. government agencies such as NIST use a "dummy" imprint so as not

Events

Projects and Programs

Materials Informatics

The Materials Genome Initiative will create a new era of materials innovation that will serve as a foundation for strengthening domestic industries in these

DFT Repositories and Informatics

Reproducibility and reuse play fundamental roles in the development of science. With the growth of computational power and tools, simulated experiments have

Multiscale MD-FEM Methodology

MSED is developing methods to statically couple finite element modeling (FEM) to atomistic molecular dynamics (MD) 1 . Compared to non-hybrid approaches, this

Simulation Management Tools

An important part of the MGI effort is providing infrastructure and tools to enable reproducible research in computational materials science. For reproducible

Publications

Software

Open Calphad

OpenCalphad is an informal international collaboration of scientists and researchers interested in the development of high quality software and databases for

Awards

2018 Henry Marion Howe Medal

The ASM Henry Marion Howe Medal is awarded in memory of Dr. Henry Marion Howe, a distinguished teacher, writer, metallurgist and consultant,...

Press Coverage