Friedel Oscillations and He-He Interactions in Mo

Helium ions implanted into metals can form ordered bubbles that are isomorphic to the host lattice. While long-range elastic interactions are generally believed to drive bubble superlattice formation, the interactions between individual helium solutes are not yet fully understood. Our first-principl...

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Bibliographic Details
Published in:Crystals
Main Authors: Xuepeng Shen, Enzhi Liang, Qian Zhan, Wei Wang, Wen Tong Geng
Format: Article
Language:English
Published: MDPI AG 2024-09-01
Subjects:
Friedel oscillations
helium irradiation
molybdenum
first-principles
solute–solute interactions
Online Access:https://www.mdpi.com/2073-4352/14/10/834
Description
Summary:Helium ions implanted into metals can form ordered bubbles that are isomorphic to the host lattice. While long-range elastic interactions are generally believed to drive bubble superlattice formation, the interactions between individual helium solutes are not yet fully understood. Our first-principles calculations reveal that in molybdenum, Friedel oscillations induced by individual helium atoms generate potential barriers and wells that influence helium pairing and clustering at short He-He distances. These repulsive and attractive interactions at high concentrations provide thermodynamic driving forces that align randomly distributed helium atoms into Mo-He superlattices. Friedel oscillations may have broad impacts on solute–solute interactions in alloys.
ISSN:2073-4352

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