First-principles determination of the crystallography of the low-temperature phase for NbRu and TaRu shape memory alloys

Chen, Wenzhou; Yuan, Ronghua; Tan, Furui; Wang, Xu

doi:10.1039/d2cp02158g

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article2

Preprint1

Relationship

Self Cite0

Independent3

Authors

Journals

Cited by 3 publications

References 30 publications

(67 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

A first-principles study of the phase transitions in ultrahigh temperature shape memory alloy RuNb

Wu,

Benafan,

Lawson

2024

Acta Materialia

View full text Add to dashboard Cite

A first-principles study of the phase transitions in ultrahigh temperature shape memory alloy RuNb

Wu,

Benafan,

Lawson

2024

Acta Materialia

View full text Add to dashboard Cite

A First-Principles Study of the Phase Transitions in Ultrahigh Temperature Shape Memory Alloy RuNb

Wu,

Benafan,

Lawson

2024

Preprint

View full text Add to dashboard Cite

First-Principle Study on Tailoring the Martensitic Transformation of B2 Nb50−xTixRu50 Shape-Memory Alloy for Structural Applications

Nkomo,

Shen,

Mostert

et al. 2024

Metals

View full text Add to dashboard Cite

NbRu has a potential as a high-temperature shape-memory alloy (HTSMA) because it has a martensitic transformation temperature above 1000 °C. However, its shape-memory properties could be improved for consideration in the aerospace and automotive industry. The unsatisfactory shape-memory properties could be associated with the presence of a brittle tetragonal L10 martensitic phase. Therefore, in an attempt to modify the transformation path from B2→L10 in preference of either B2→orthorhombic or B2→monoclinic (MCL), an addition of B2 phase stabiliser, titanium (Ti), has been considered in this study to partially substitute niobium (Nb) atoms. The ab initio calculations have been conducted to investigate the effect of Ti addition on the thermodynamic, elastic, and electronic properties of the Nb50−xTixRu50 in B2 and L10 phases. The results showed that the B2 and L10 phases had comparable stability with increasing Ti content. The simulated data presented here was sufficient for the selection of suitable compositions that would allow the L10 phase to be engineered out. The said composition was identified within 15–30 at.% Ti. These compositions have a potential to be considered when designing alloys for structural application at high temperatures above 200 °C.

show abstract

First-principles determination of the crystallography of the low-temperature phase for NbRu and TaRu shape memory alloys

Abstract: The crystallography of the low-temperature phases (β’’) for shape memory alloys (NbRu and TaRu) have been debated for decades. Though a P2/m monoclinic structure has been proposed for the β’’...

Cited by 3 publications

References 30 publications

A first-principles study of the phase transitions in ultrahigh temperature shape memory alloy RuNb

A first-principles study of the phase transitions in ultrahigh temperature shape memory alloy RuNb

A First-Principles Study of the Phase Transitions in Ultrahigh Temperature Shape Memory Alloy RuNb

First-Principle Study on Tailoring the Martensitic Transformation of B2 Nb50−xTixRu50 Shape-Memory Alloy for Structural Applications

Contact Info

Product

Resources

About