A key property to know in developing new materials is their stiffness or elasticity at different temperatures. An automated workflow, Elastemp, was created to calculate the temperature dependence of the thermal expansion coefficients and elastic constants for materials.
Significance and Impact
Elasticity is one the properties often chosen in evaluating the suitability of materials for various applications such as tribology, energy storage, flexible electronics, and superhard materials.
- Experimental data agreed well with representative calculations using Elastemp for materials with different crystal symmetries (e.g., cubic aluminum, cubic diamond, cubic titanium nitride, and hexagonal 𝛼-titanium) as a function of temperature.
About Argonne’s Center for Nanoscale Materials
The Center for Nanoscale Materials is one of the five DOE Nanoscale Science Research Centers, premier national user facilities for interdisciplinary research at the nanoscale supported by the DOE Office of Science. Together the NSRCs comprise a suite of complementary facilities that provide researchers with state-of-the-art capabilities to fabricate, process, characterize and model nanoscale materials, and constitute the largest infrastructure investment of the National Nanotechnology Initiative. The NSRCs are located at DOE’s Argonne, Brookhaven, Lawrence Berkeley, Oak Ridge, Sandia and Los Alamos National Laboratories. For more information about the DOE NSRCs, please visit https://science.osti.gov/User-Facilities/User-Facilities-at-a-Glance.
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The U.S. Department of Energy’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit https://energy.gov/science.