density functional theory Archives | The American Ceramic Society

density functional theory

Other materials stories that may be of interest

By April Gocha / March 1, 2017

Atom-scale oxidation mechanism of nanoparticles helps develop anti-corrosion materials, unique workflow to design new materials, and other materials stories that may be of interest for March 1, 2017.

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Other materials stories that may be of interest

By April Gocha / May 19, 2015

Separating rare earths with UV light, NASA testing materials in space, and other materials stories that may be of interest for May 19, 2015.

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Aerodynamic levitation, modeling and new analytical techniques leads to cement-to-semiconductor advances

By / June 13, 2013

  One type of cage structure around the spin-density of one electron in a model of cement-based semiconducting metallic glass (gray=Al; green=Ca; and red=O). Credit: Akola et al.; Argonne National Lab.   Normally in the creation of a metallic glass, the process begins with a metal that is transformed to a glassy state. Now, however, a…

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