Comments Concerning Some Features of Phase Diagrams and Phase Transformations

Massalski, T. B.

doi:10.2320/materia.49.192

Cited by 10 publications

(16 citation statements)

References 25 publications

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“…In [51,63], the relation between phase formation and magnetism was stressed for choosing e/a to classify alloys. Furthermore, BMGs and HEAs are often compared [4,24].…”

Section: Two Dimensional Plots Of Experimental Results and Bibliograpmentioning

confidence: 99%

“…However, as detailed in [63], it is important to stress that one can express the electron concentration in two ways. One is the VEC, more recently referred to as the valence electron In the following, the e/a and VEC values have been calculated, in the standard way, according to [63]. For example in the case of Zn, with 3d10 4 s 2 as electronic structure and 2 electrons in the outside layer, e/a=2 and VEC=12.…”

Section: Choice Of E/amentioning

confidence: 99%

“…In this case no calculations but rather empirical rule were used to predict the ternary quasi-crystal compositions from binary ones. Furthermore it was demonstrated that Quasi-Crystals (QCs)are Hume-Rothery phases[31][32][33][34].Furthermore, as was pointed out in[63] the calculations of valence electrons for a system is sometimes not correctly estimated, with confusion between the VEC, the total number of valence electrons and e/a, and the s and p electrons. For example, in[28], a series of highentropy equiatomic alloys have been analysed to determine the main factors that influence the formation of various solid solutions and chemical compounds.…”

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confidence: 99%

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Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction

Calvo-Dahlborg

Brown

2017

Journal of Alloys and Compounds

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The Hume-Rothery approach applied in terms of e/a to classify and design quasicrystals and BMG is revisited for the case of HEAs. The results were compared with other parameters used in the literature, namely VEC and delta. The Self-Organizing Map tool is used to classify the experimental results and the experimental map is used to compare the predictions of phases and properties of compositions reported in the literature. According to the Hume-Rothery approach e/a and the average radius can give a precise rule of thumb to identify the domain of stability of HEAs and to estimate the phases that may occur in the alloy: i) e/a< 1.65: fcc, ii) 1.65< e/a < 2.05: mixed phases including in particular sigma, iii) e/a > 2.05: bcc. Moreover, e/a is to be preferred to VEC to classify phases in HEAs and the simple combination of e/a and r give more accurate estimation than complex approaches based on DOS and VEC. Self-organizing maps can be used to make interpolative predictions for new compositions of HEAs with suitable phases for specific properties.

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“…In [51,63], the relation between phase formation and magnetism was stressed for choosing e/a to classify alloys. Furthermore, BMGs and HEAs are often compared [4,24].…”

Section: Two Dimensional Plots Of Experimental Results and Bibliograpmentioning

confidence: 99%

Section: Choice Of E/amentioning

confidence: 99%

mentioning

confidence: 99%

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Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction

Calvo-Dahlborg

Brown

2017

Journal of Alloys and Compounds

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“…The other parameter, i.e., mixing enthalpy (

KJ/mol for this alloy), is generally regarded as the most effective parameter (when −5 KJ/mol <

< 5 KJ/mol) to form the stable solid solution (distinguish compounds) [ 34 ]. Previous works show that as-cast multi-principle element alloys will form stable single-bcc, duplex fcc/bcc, and single-fcc structure when VEC < 6.87, 6.87 ≤ VEC < 8.0, and VEC ≥ 8.0 [ 35 ]. This is consistent with the single-phase structure predicting in VEC = 6.20(belongs to bcc structure) in this study and previous research of multi-principle element alloys.…”

Section: Resultsmentioning

confidence: 99%

Theoretical and Experimental Studies of the Structural, Phase Stability and Elastic Properties of AlCrTiFeNi Multi-Principle Element Alloy

et al. 2020

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The fundamental challenge for creating the crystal structure model used in a multi-principle element design is the ideal combination of atom components, structural stability, and deformation behavior. However, most of the multi-principle element alloys contain expensive metallic and rare earth elements, which could limit their applicability. Here, a novel design of low-cost AlCrTiFeNi multi-principle element alloy is presented to study the relationship of structure, deformation behavior, and micro-mechanism. This structured prediction of single-phase AlCrTiFeNi by the atomic-size difference, mixing enthalpy ΔHmix and valence electron concentration (VEC), indicate that we can choose the bcc-structured solid solution to design the AlCrTiFeNi multi-principle element alloy. Structural stability prediction by density functional theory calculations (DFT) of single phases has verified that the most advantageous atom occupancy position is (FeCrNi)(AlFeTi). The experimental results showed that the structure of AlCrTiFeNi multi-principle element alloy is bcc1 + bcc2 + L12 phases, which we propose as the fundamental reason for the high strength. Our findings provide a new route by which to design and obtain multi-principle element alloys with targeted properties based on the theoretical predictions, first-principles calculations, and experimental verification.

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“…The valence electron concentration (VEC) [32], determined as the concentration-weighted sum of outer shell s, p and d electrons, has been proposed to significantly affect the structural transition [33,34]. As the VEC for Cu (VEC = 11 is higher than that of both Mn (VEC = 7) and Co (VEC = 9), an increase in Cu concentration would lead to an increase of total VEC in both these cases.…”

Section: Resultsmentioning

confidence: 99%

Comparative phase transformation and magnetocaloric effect study of Co and Mn substitution by Cu in MnCoGe compounds

Pal

Frommen

Kumar

et al. 2019

Journal of Alloys and Compounds

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In main text, a section of Keywords should be complemented and inserted between the sections ABSTRACT and Introduction. Please be informed that in each keyword the first word should begin with a capital letter and the others should be in lowercase letters. Response: Keywords have been added in proper format. 3 Each section from Introduction to Conclusions should be numbered in sequence by Arabic numerals. Response: Sections have been numbered. 4 In main text and Captions, all "Figure" should be abbreviated into "Fig.". Response: "Figure" has been changed to "Fig". 5 The style of Table can not meet our publication requirements. In the Table all the vertical lines should be deleted and all the parallel lines, except the parallel lines 1, 2 and the last one, should be removed. You also can refer to our published papers. Response: The style has been corrected to proper format. 6 The subtitle "REFERENCES:" should be revised into "References". Response: "REFERENCES:" has been revised into "References". 7 In the section of References, all authors of cited paper should be listed instead of et al, and page span of cited paper should be provied. Response: All authors have been included in the references and page span has been also included. 8. Numerous relevant papers have been published in recent years especially in 2017 and 2018. Some key, important or/and latest research results in this field should be mentioned and cited in the section of introduction instead of outdated or earlier papers so that we can provide a solid background and progress to the readers regarding the current state-of-knowledge on this topic. Therefore, I strongly require you to rewrite this part and then update your citations, or it is very hard for me to accept your manuscript.

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Comments Concerning Some Features of Phase Diagrams and Phase Transformations

Cited by 10 publications

References 25 publications

Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction

Hume-Rothery for HEA classification and self-organizing map for phases and properties prediction

Theoretical and Experimental Studies of the Structural, Phase Stability and Elastic Properties of AlCrTiFeNi Multi-Principle Element Alloy

Comparative phase transformation and magnetocaloric effect study of Co and Mn substitution by Cu in MnCoGe compounds

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