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Large recoverable strain with suitable transition temperature in TiNb-based multicomponent shape memory alloys: First-principles calculations
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China..
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China..
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China..
Xi An Jiao Tong Univ, Frontier Inst Sci & Technol, State Key Lab Mech Behav Mat, Xian 710049, Peoples R China..
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2021 (English)In: Acta Materialia, ISSN 1359-6454, E-ISSN 1873-2453, Vol. 221, article id 117366Article in journal (Refereed) Published
Abstract [en]

TiNb-based shape memory alloys (SMAs) have great potentials in biomaterials. However, high transition temperature or small recoverable strain limit their application. Using first-principles method, we systematically study the recoverable strain and transition temperature of TiNb-based binary, ternary, and high-entropy alloys (HEAs), and aim to lower the transition temperature and improve the recoverable strain at the same time. We find that the employed approach describes accurately the lattice strain by comparing with the available experimental results. It is well known that there is a positive correlation between lattice strain and recoverable strain in SMAs. Thus, we have evaluated the magnitude of recoverable strain of SMAs by calculating the lattice strain. Meanwhile, we correlate the available measured martensitic transformation start temperature (M-s) with the calculated energy difference between beta and alpha'' phases in Ti-Nb binary alloys. According to this relation, we evaluate the M-s in other TiNb-based alloys. We find that Zr is a good alloying element that can decrease considerably the M-s and keep the lattice (recoverable) strain almost unchanged simultaneously. Finally, an Al-containing Ti24Nb25Zr24S24Al3 HEA has been designed to have simultaneously large recoverable strain and low transition temperature.

Place, publisher, year, edition, pages
Elsevier BV , 2021. Vol. 221, article id 117366
Keywords [en]
Ti alloys, High-entropy alloys, Phase transformation, Phase stability, ab initio calculations
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:kth:diva-304859DOI: 10.1016/j.actamat.2021.117366ISI: 000710711000002Scopus ID: 2-s2.0-85118148194OAI: oai:DiVA.org:kth-304859DiVA, id: diva2:1612750
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QC 20211119

Available from: 2021-11-19 Created: 2021-11-19 Last updated: 2022-06-25Bibliographically approved

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Lu, SongLi, WeiVitos, Levente

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