First-principles study of electronic structures and stability of body-centered cubic Ti–Mo alloys by special quasirandom structures

Sahara, Ryoji; Emura, Satoshi; Seiichiro,; Ueda, Shigenori; Tsuchiya, Koichi

doi:10.1088/1468-6996/15/3/035014

Cited by 28 publications

(10 citation statements)

References 41 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The lattice parameters obtained for the cold-sprayed HEA coatings are in good agreement with the previous findings. [36] As expected, oxides peaks were not observed for cold-sprayed HEA coatings, which are in accordance with studied HEAs developed through cold spraying. [28] The absence of a highemperature heat source produced cold-sprayed HEA coatings without any phase transformations and oxide inclusions.…”

Section: Electrochemical Corrosion Testingsupporting

confidence: 89%

Effect of Microstructure on Wear and Corrosion Performance of Thermally Sprayed AlCoCrFeMo High‐Entropy Alloy Coatings

2022

View full text Add to dashboard Cite

mixed in equimolar or close to equimolar concentrations, enabling them to form a single-phase solid solution. [4] However, the formation of intermetallics together with solid solution phases was also reported for the HEAs. [5,6] The alloys exhibit an inherently high configurational entropy effect owing to compositionally complex mixing, which promotes the solid solution phases in the form of face-centered cubic (FCC) and/or body-centered cubic (BCC) phases. [6] Other core effects, such as sluggish diffusion, distorted lattice, and cocktail effect, favor HEAs to have outstanding properties, including excellent strength, [7] significant toughness, [8] and better strain hardening ability [9] with remarkable tribological characteristics, including superior wear and corrosion resistance. [6,[9][10][11] Various studies had been employed to produce HEAs by arc melting, [12,13] spark plasma sintering, [14] laser technology, [15] microwave processing, [5,16] additive manufacturing, [17,18] and thermal spraying. [19,20] Among the techniques, thermal spray manufacturing is a promising and well-established technology, which is capable of using a broad range of feedstocks (including alloys, ceramics, and polymers) for producing thick coatings for use in developing protective surface layers. [21] The impact of thermal spraying of HEA coatings on microstructure, mechanical, and wear properties has been studied previously. [22,23] For instance, Wang et al. [24] reported excellent hardness for the AlCoCrFeNi HEA coatings developed via atmospheric plasma spraying due to hard BCC and ordered B2 phases. Another study by Meghwal et al. [22] reported high hardness of around 4 GPa for AlCoCrFeNi due to the formation of Al-rich oxide phases. Still a noticeable decrease in the corrosion performance was found compared to 316L stainless steel under seawater conditions. However, the high-temperature heat source in thermal spraying can result in undesirable phase transformations, residual stresses, and oxide contaminations. [23] In addition, the oxide inclusions along with voids such as pores and cracks are detrimental for protective performance against electrochemical damage. To probe such microstructural inhomogeneities, deposition techniques that operate with low-temperature heat sources are desirable.Cold spraying is a branch of thermal spray technologies that received attention for structural repair coatings for various

show abstract

Section: Electrochemical Corrosion Testingsupporting

confidence: 89%

Effect of Microstructure on Wear and Corrosion Performance of Thermally Sprayed AlCoCrFeMo High‐Entropy Alloy Coatings

2022

View full text Add to dashboard Cite

show abstract

“…SQSs were successfully employed in the calculation of structural and elastic properties, [102] as well as electronic structures. [103] When modelling the whole NP instead of a single unit cell, optimal structures can be obtained with the topological approach (TOP) developed by Kozlov et al in 2015. [104] The TOP allows the exploration of the chemical ordering of surface sites (facets, edges and corners) for each type of element.…”

Section: Modelling Of Structure and Electronic Properties Of Plasmoni...mentioning

confidence: 99%

“…SQSs were successfully employed in the calculation of structural and elastic properties, [102] as well as electronic structures. [103] …”

Section: Modellingmentioning

confidence: 99%

Recent Developments in Plasmonic Alloy Nanoparticles: Synthesis, Modelling, Properties and Applications

2022

View full text Add to dashboard Cite

show abstract

“…For the as-homogenized single β Ti-Mo alloy, the hydrogen composition is up to ~15.0% in the matrix surrounding the H-agglomerations, and overall up to 30%. In the literature, first principles calculations [27][28][29] suggest that due to the smaller size of Mo relative to Ti, the lattice parameter of Ti-Mo alloys decreases with increasing amount of Mo. The lattice parameter reduced from ~ 0.3264 nm for a Ti-7Mo alloy to ~0.3248 nm for a Ti-16Mo alloy [29].…”

mentioning

confidence: 99%

Atomic-scale investigation of hydrogen distribution in a Ti Mo alloy

et al. 2019

View full text Add to dashboard Cite

Ingress of hydrogen is often linked to catastrophic failure of Ti-alloys. Here, we quantify the hydrogen distribution in fully β and α+β Ti-Mo alloys by using atom probe tomography. Hydrogen does not segregate at grain boundaries in the fully β sample but segregates at some α/β phase boundaries with a composition exceeding 20 at.% in the α+β sample. No stable hydrides were observed in either sample. The hydrogen concentration in β phases linearly decreases from ~13 at. % to ~4 at. % with increasing Mo-content, which is ascribed to the suppression of hydrogen uptake by Mo addition.

show abstract

First-principles study of electronic structures and stability of body-centered cubic Ti–Mo alloys by special quasirandom structures

Cited by 28 publications

References 41 publications

Effect of Microstructure on Wear and Corrosion Performance of Thermally Sprayed AlCoCrFeMo High‐Entropy Alloy Coatings

Effect of Microstructure on Wear and Corrosion Performance of Thermally Sprayed AlCoCrFeMo High‐Entropy Alloy Coatings

Recent Developments in Plasmonic Alloy Nanoparticles: Synthesis, Modelling, Properties and Applications

Atomic-scale investigation of hydrogen distribution in a Ti Mo alloy

Contact Info

Product

Resources

About