Thermodynamic assessment of the Mo–Zr binary phase diagram

Pérez, Rosa Jerlerud; Sundman, Bo

doi:10.1016/j.calphad.2003.09.003

Cited by 75 publications

(5 citation statements)

References 19 publications

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“…Owing to the ability of the condensation process to produce far-out-of-equilibrium states, co-sputtering zirconium with molybdenum or tungsten (Figure 1a), a compositiondriven transition from X-ray amorphous to crystalline Mo(Zr) and W(Zr) supersaturated solid solutions are obtained (Figure 1b). This markedly contrasts with the Zr-Mo and Zr-W equilibrium phase diagrams in which only stable primary crystalline solid solutions and the C15 ZrMo2 and ZrW2 Laves phases exist and show very low solubilities [43,44]. Similar observations were made in many chemical systems [45,46].…”

Section: Control Of the Surface-related Properties Through Nanocrystalline-amorphous Competitive Growthmentioning

confidence: 66%

Composition-driven transition from amorphous to crystalline films enables bottom-up design of functional surfaces

Borroto

García-Wong

Bruyère

et al. 2021

Applied Surface Science

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Composition-driven transition to the crystalline state is characteristic of amorphous metal alloys and is widely observed in thin film. However, the transition zone (compositional range between single-phase amorphous and crystalline films) remains unexplored. Here, we demonstrate that this transition offers an excellent scenario for the fabrication of hybrid crystalline-amorphous architectures. The peculiar morphology of these nano(micro)structured films provides a simple bottom-up route, applicable to a broad range of alloys, for obtaining adjustable multifunctional surfaces. In particular, we prove the feasibility of this approach as a one-step process for a precise control of specular and diffuse reflectance over the visible spectrum. Further, the growth kinetics of the formed two-phase nanostructures is demonstrated equivalent to a 2-dimensional amorphous-to-crystalline phase transformation.Using Zr-W alloys as a model system, fundamental parameters of the growth process and the corresponding metastable thickness-composition phase diagram are extracted. It evidences that the two-phase nanostructures, despite occurring in a wide range of compositions, can be easily hidden experimentally by growth kinetics and nucleation delay. These results open a new avenue on the surface morphology and related functional properties control in thin films.

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Section: Control Of the Surface-related Properties Through Nanocrystalline-amorphous Competitive Growthmentioning

confidence: 66%

Composition-driven transition from amorphous to crystalline films enables bottom-up design of functional surfaces

Borroto

García-Wong

Bruyère

et al. 2021

Applied Surface Science

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“…Mobility parameters of boundary binary systems were taken from Liu’s work [ 33 , 34 ]. Thermodynamic description of boundary binary systems were also the same as Liu’s work [ 40 , 41 , 42 ]. Thermodynamic modeling of bcc phase in the ternary system can be carried out by simply extrapolation based on three binary systems.…”

Section: Resultsmentioning

confidence: 99%

“…Pure Ti, binary Ti-Mo and Ti-Zr alloys, and ternary Ti-Mo-Zr alloys were prepared from pure Ti (99.99 wt %), Mo (99.99 wt %), and Zr (99.99 wt %) by arc melting in electric arc furnace under an argon atmosphere. All of the alloys compositions were designed in the bcc phase region according the binary phase diagram of Ti-Mo [ 40 ], Ti-Zr [ 41 ], and Zr-Mo [ 42 ] systems and ternary phase diagram of Ti-Mo-Zr system at 1473 K [ 43 ] (shown in Figure 1 ). The compositions of all alloys were listed in Table 1 .…”

Section: Methodsmentioning

confidence: 99%

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Diffusivities and Atomic Mobilities in bcc Ti-Mo-Zr Alloys

Bai

Tan

et al. 2018

Materials

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β-type (with bcc structure) titanium alloys have been widely used as artificial implants in the medical field due to their favorable properties. Among them, Ti-Mo alloy attracted numerous interests as metallic biomaterials. Understanding of kinetic characteristics of Ti alloys is critical to understand and manipulate the phase transformation and microstructure evolution during homogenization and precipitation. In this work, diffusion couple technique was employed to investigate the diffusion behaviors in bcc Ti-Mo-Zr alloys. The diffusion couples were prepared and annealed at 1373 K for 72 h and 1473 K for 48 h, respectively. The composition-distance profiles were obtained via electron probe micro-analysis (EPMA). The chemical diffusion coefficients and impurity diffusion coefficients were extracted via the Whittle-Green method and Hall method. The obtained diffusion coefficients were assessed to develop a self-consistent atomic mobility database of bcc phase in Ti-Mo-Zr system. The calculated diffusion coefficients were compared with the experimental results. They showed good agreement. Simulations were implemented by Dictra Module in Thermo-Calc software. The predicted composition-distance profiles, inter-diffusion flux, and diffusion paths are consistent with experimental data, confirming the accuracy of the database.

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“…Notably, when looking at the binary phase diagrams of Ta, Mo, and Nb with Zr [196]- [198], there are evident miscibility gaps present, despite the absence of significantly large binary mixing enthalpies [140]. The same miscibility gaps are not present in the equivalent Ti binary phase diagrams, with similar magnitude binary mixing enthalpies [140], except for Ti-Mo which occurs at significantly lower temperatures than the previously mentioned miscibility gaps [199].…”

Section: Hardnessmentioning

confidence: 74%

Microstructural Characterization and Phase Prediction of High Entropy Alloys using Empirical and Machine Learning Based Methodologies

Mohammadi

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Alloys containing four or more principal alloying elements in near equal atomic percentage, so called High Entropy Alloys (HEA), break down the solvent-solute relationship generally seen in traditional alloys. This creates a vast and unpredictable design space, unfeasible to explore purely experimentally or through computational simulations. This thesis aims to present a newly developed machine learning based phase prediction methodology for HEA alloys, the empirical design and characterization of a Zr-containing HEA system, and a performance comparison of the developed methodology and established empirical method at predicting the impact of Zr on the phase composition with experimental results as a reference. Findings show that the developed phase prediction methodology, which leverages a convolutional neural network, could predict the formation of a secondary BCC solid solution phase within the high entropy alloys caused by the addition Zr and intermetallic compound formation, while the empirical parameters failed to do so.

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Thermodynamic assessment of the Mo–Zr binary phase diagram

Cited by 75 publications

References 19 publications

Composition-driven transition from amorphous to crystalline films enables bottom-up design of functional surfaces

Composition-driven transition from amorphous to crystalline films enables bottom-up design of functional surfaces

Diffusivities and Atomic Mobilities in bcc Ti-Mo-Zr Alloys

Microstructural Characterization and Phase Prediction of High Entropy Alloys using Empirical and Machine Learning Based Methodologies

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