Browsing Duke Faculty Scholarship by Duke-affiliated Author "Levy, Ohad"

Now showing items 1-3 of 3

The New Face of Rhodium Alloys: Revealing Ordered Structures from First Principles

Levy, Ohad; Chepulskii, Roman V.; Curtarolo, Stefano (AMER CHEMICAL SOC, 2010)

The experimental and computational data on rhodium binary alloys is sparse despite its importance in numerous applications, especially as an alloying agent in catalytic materials. Half of the Rh-transition metal systems ...
Structure maps for hcp metals from first-principles calculations

Levy, Ohad; Curtarolo, Stefano (AMER PHYSICAL SOC, 2010)

The ability to predict the existence and crystal type of ordered structures of materials from their components is a major challenge of current materials research. Empirical methods use experimental data to construct structure ...
Uncovering Compounds by Synergy of Cluster Expansion and High-Throughput Methods

Levy, Ohad; Curtarolo, Stefano (AMER CHEMICAL SOC, 2010)

Predicting from first-principles calculations whether mixed metallic elements phase-separate or form ordered structures is a major challenge of current materials research. It can be partially addressed in cases where ...