Thermodynamic assessment of the RE-B (RE=Ho, Er, Tm) binary systems

Wei, Qi; Rong, Maohua; Li, S.; Su, Di; Yao, Qing; Wang, J.; Rao, Guanghui; Zhou, Huaiying

doi:10.1016/j.calphad.2020.101796

Cited by 8 publications

(2 citation statements)

References 41 publications

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“…To represent a more realistic experimental situation of a binary system, we prepared a Ho‐B alloy by arc melting. The Ho‐B phase diagram [ 36 ] is simple and provides a straightforward answer to which phases can exist. To attempt to obtain a simple two‐phase system, the target material was HoB

_{2.1}

, which should lead to a mixture of both HoB

_{2}

and HoB

_{4}

phases.…”

Section: Resultsmentioning

confidence: 99%

XERUS: An Open‐Source Tool for Quick XRD Phase Identification and Refinement Automation

Castro

Terashima

Echevarría

et al. 2022

Advcd Theory and Sims

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Analysisof X-ray diffraction patterns is one of the keystones of materials science and materials research. With the advancement of data-driven methods for materials design, candidate materials can be quickly screened for the study of a desired physical property. Efficient methods to automatically analyze and identify phases present in a given pattern are paramount for the success of this new paradigm. To aid this process, the open-source python package Xray Estimation and Refinement Using Similarity (XERUS) for semi-automatic/automatic phase identification is presented. XERUS takes advantage of open crystal structure databases, not relying on proprietary databases, to obtain crystal structures on the fly, being then chemical space agnostic.By wrapping around GSASII scriptable, it can automatically simulate patterns and calculate similarity measures used for phase identification. This approach is simple and quick but also applicable to multiphase identification, by coupling the similarity calculations with quick refinements followed by an iterative peak removal process. XERUS is shown in action in four different experimental datasets, and also it is benchmarked against a recently proposed deep learning method for a mixture dataset covering the Li-Mn-O-F chemical space.

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_{2.1}

, which should lead to a mixture of both HoB

_{2}

and HoB

_{4}

phases.…”

Section: Resultsmentioning

confidence: 99%

XERUS: An Open‐Source Tool for Quick XRD Phase Identification and Refinement Automation

Castro

Terashima

Echevarría

et al. 2022

Advcd Theory and Sims

View full text Add to dashboard Cite

show abstract

“…Using thermodynamic calculations, the Scheil–Gulliver model can be employed to simulate the non-equilibrium solidification process of as-cast alloys [ 19 ]. In our previous work, the RE-Fe (RE = Pr, Nd, Sm, Gd, Dy, Tb, Ho, Tm, Lu, Y) [ 20 , 21 , 22 , 23 , 24 ], RE-B (RE = La, Ce, Pr, Nd, Sm, Gd, Dy, Tb, Ho, Tm, Lu, Y) [ 25 , 26 , 27 ], and RE 1 -RE 2 binary systems [ 28 ] were calculated, and then thermodynamic calculations of the RE 1 -RE 2 -Fe (e.g., La-Ce-Fe and Ce-Nd-Fe [ 29 ], La-Pr-Fe and Ce-Pr-Fe [ 30 ]) ternary systems and the Nd-Fe-B ternary system [ 31 ] were performed. Furthermore, the development of a thermodynamic database of Nd-Dy-Tb-Fe-B magnets is in progress in our group.…”

Section: Introductionmentioning

confidence: 99%

Solidification Behavior of Dy-Tb-Fe Alloys through Experimental Study and Thermodynamic Calculation

et al. 2023

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In this work, the solidification microstructure and phase transitions of Dy-Tb-Fe alloy samples were studied by using scanning electron microscopy with energy dispersive spectroscopy (SEM-EDS), X-ray diffraction (XRD) and differential thermal analysis (DTA). No stable ternary compound was detected in the present experiments. The phase transformation temperatures of eight Dy-Tb-Fe alloy samples were measured. Based on the experimental results determined in this work and reported in the literature, the phase equilibria of the Dy-Tb-Fe system was calculated using the CALPHAD method. The calculated vertical sections are consistent with the experimental results determined in this work and reported in the literature. Furthermore, in combination with the experimental solidification microstructure, the solidification behavior of Dy-Tb-Fe alloy samples was analyzed through the thermodynamic calculation with the Gulliver–Scheil non-equilibrium model. The simulated results agree well with the experimental results. This indicates that the reasonable thermodynamic parameters of the Dy-Tb-Fe system were finally obtained.

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Preparation of rare earth borides by reaction among rare earth oxides, boron carbide, and calcium

2022

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Thermodynamic assessment of the RE-B (RE=Ho, Er, Tm) binary systems

Cited by 8 publications

References 41 publications

XERUS: An Open‐Source Tool for Quick XRD Phase Identification and Refinement Automation

XERUS: An Open‐Source Tool for Quick XRD Phase Identification and Refinement Automation

Solidification Behavior of Dy-Tb-Fe Alloys through Experimental Study and Thermodynamic Calculation

Preparation of rare earth borides by reaction among rare earth oxides, boron carbide, and calcium

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