News tagged with density functional theory

Keeping hydrogen from cracking metals

Metal alloys such as steel and zirconium that are used in pipes for nuclear reactors and oil fields naturally acquire a protective oxide or sulfide layer. But hydrogen penetration can lead to their breakdown ...

Oct 28, 2014
5 / 5 (4) 1

How to overcome the oxide barrier

(Phys.org) —Researchers at Pacific Northwest National Laboratory have uncovered the characteristics of a low-resistance electrical contact to strontium titanate, SrTiO3, an important prototypical oxide semi ...

May 13, 2013
5 / 5 (2) 0 | with audio podcast

Team maps the nuclear landscape

An Oak Ridge National Laboratory and University of Tennessee team has used the Department of Energy's Jaguar supercomputer to calculate the number of isotopes allowed by the laws of physics.

Jun 27, 2012
5 / 5 (5) 1 | with audio podcast