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 inCrystals (Basel) Vol. 14; no. 10; p. 834
Main Authors Shen, Xuepeng, Liang, Enzhi, Zhan, Qian, Wang, Wei, Geng, Wen Tong
Format Journal Article
LanguageEnglish
Published Basel MDPI AG 25.09.2024
Subjects
Bubbles
Clustering
Energy
First principles
Friedel oscillations
Helium atoms
Helium ions
helium irradiation
Metals
Molybdenum
Oscillations
Phase transitions
Point defects
solute–solute interactions
Superlattices
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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
2073-4352
DOI:10.3390/cryst14100834