Space Intelligence Agency

Data mining Abstract

Nature Materials 5, 641 - 646 (2006)
doi:10.1038/nmat1691

Subject Categories: Metals and alloys | Characterisation and analytical techniques | Computation, modelling and theory

Christopher C. Fischer, Kevin J. Tibbetts, Dane Morgan and Gerbrand Ceder

Abstract

Modern methods of quantum mechanics have proved to be effective tools to understand and even predict materials properties. An essential element of the materials design process, relevant to both new materials and the optimization of existing ones, is knowing which crystal structures will form in an alloy system. Crystal structure can only be predicted effectively with quantum mechanics if an algorithm to direct the search through the large space of possible structures is found. We present a new approach to the prediction of structure that rigorously mines correlations embodied within experimental data and uses them to direct quantum mechanical techniques efficiently towards the stable crystal structure of materials.

Source: www.nature.com
RELATED FACTS
Share this Post

Related posts

Abstract Canvas Artwork

Abstract Canvas Artwork

NOVEMBER 13, 2019

Title: MELODY ASSOCIATED WITH THE NIGHT by Leonid Afremov Size: 40 Wide x 30 tall (100cm x 75cm) State: Exceptional Amazing…

Read More
Teal and Gray Wall Decor

Teal and Gray Wall Decor

NOVEMBER 13, 2019

Queen Dorm Layout - What Complements Leopard Print? - Digital

Read More