Microscopic picture of paraelectric perovskites from structural prototypes

Structural Characterization of New Perovskites

Incident Mining Using Structural Prototypes

Software and other technical products offered to a mass market have a high demand on support and help desks. A tool for automated classification of incident reports, errors and other customer requests which offers previous (successful) hints or solution procedures could efficiently decrease support costs. We propose an approach to mining incidents and other customer requests for support based o...

Microscopic picture of aging in SiO2.

We investigate the aging dynamics of amorphous SiO(2) via molecular dynamics simulations of a quench from a high temperature T(i) to a lower temperature T(f). We obtain a microscopic picture of aging dynamics by analyzing single particle trajectories, identifying jump events when a particle escapes the cage formed by its neighbors, and determining how these jumps depend on the waiting time t(w)...

Microscopic picture of Co clustering in ZnO

Citation Iusan, Diana et al. " Microscopic picture of Co clustering in ZnO. Article is made available in accordance with the publisher's policy and may be subject to US copyright law. Please refer to the publisher's site for terms of use. The MIT Faculty has made this article openly available. Please share how this access benefits you. Your story matters. Density functional theory was applied t...

Competing structural instabilities in cubic perovskites.

We study the antiferrodistortive instability and its interaction with ferroelectricity in cubic perovskite compounds. Our first-principles calculations show that coexistence of both instabilities is very common. We develop a firstprinciples scheme to study the thermodynamics of these compounds when both instabilities are present, and apply it to SrTiO3. We find that increased pressure enhances ...