Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies

Quantum-Mechanical Study of Nanocomposites with Low and Ultra-Low Interface Energies

We applied first-principles electronic structure calculations to study structural, thermodynamic and elastic properties of nanocomposites exhibiting nearly perfect match of constituting phases. In particular, two combinations of transition-metal disilicides and one pair of magnetic phases containing...

Full description

Bibliographic Details
Main Authors: Martin Friák, David Holec, Mojmír Šob
Format: Article
Language:English
Published: MDPI AG 2018-12-01
Series:Nanomaterials
Subjects:
MoSi<sub>2</sub>
WSi<sub>2</sub>
TaSi<sub>2</sub>
NbSi<sub>2</sub>
elasticity
ab initio
interface energies
Fe<sub>3</sub>Al
disorder
Online Access:https://www.mdpi.com/2079-4991/8/12/1057

Internet

https://www.mdpi.com/2079-4991/8/12/1057

Similar Items