Materials Theory

Publications

Atomistic material behavior at extreme pressures

Computer simulations are routinely performed to model the response of materials to extreme environments, such as neutron (or ion) irradiation. The latter involves high-energy collisions from which a...

Enhanced Bifunctional Oxygen Catalysis in Strained LaNiO3 Perovskites

Strain is known to greatly influence low-temperature oxygen electrocatalysis on noble metal films, leading to significant enhancements in bifunctional activity essential for fuel cells and metal-air...

Quantum Critical Behavior in a Concentrated Ternary Solid Solution

The face centered cubic (fcc) alloy NiCoCrx with x ≈ 1 is found to be close to the Cr concentration where the ferromagnetic transition temperature, Tc, goes to 0. Near this composition these alloys...

Research

The group does leading edge basic research in a broad class of structural and functional materials as well as nanoscience. It has strong interactions with several major user facilities at ORNL; in particular, the Spallation Neutron Source (SNS), the Center for Nanophase Materials Science (CNMS), and the National Center for Computational Science (NCCS). Members of the Materials Theory Group maintain strong interactions with many of the experimental groups in the MST Division and across the laboratory.

Contact

James R Morris

Materials Theory Group Leader, Materials Science & Technology Division

Group Members

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