Phase Diagram, Phase Transition and Advanced Materials Design

Topic Information

Dear Colleagues,

With the continuous deepening of the human exploration of nature, demand is dramatically growing for a variety of advanced materials with better properties/performance. However, the development of novel materials using the traditional trial-and-error methods is not only time-consuming and labor-intensive, but also cannot lead to optimal results in most cases. With the rapid development of computing science/techniques, accurate and efficient material design aided by computation has become the gold standard. It is well-known that phase diagram and phase transition are the two theoretical pillars of materials researches. The resultant computational thermodynamics and computational kinetics may stimulate the advanced materials design. Therefore, we invite papers to this special Topic with five participating journals—Metals, Materials, Coatings, Compounds, and Crystals—on any new progress/development in the fields of phase diagram, phase transition, and their driven advanced materials design. Both research and review articles are welcomed. This special Topic will cover all theoretical and experimental investigations into phase diagrams and phase transitions in different types of advanced materials, ranging from the light alloys to high-entropy materials, from high-temperature alloys to coatings, and from structural materials to functional materials. Emphasis will be placed on advanced materials design driven by computational thermodynamics, computational kinetics, or their combinations. Moreover, research into the process of coupling computational thermodynamics/kinetics with machine learning for advanced materials design is welcomed as well. The deadline for all the submissions is December 31, 2023. We thank you in advance for your support and look forward to receiving your submissions soon.

Prof. Dr. Lijun Zhang
Dr. Ying Tang
Dr. Renhai Shi
Topic Editors

Keywords

Participating Journals

Journal Name	Impact Factor	CiteScore	Launched Year	First Decision (median)	APC
Coatings coatings	3.4	4.7	2011	12.4 Days	CHF 2600	Submit
Compounds compounds	-	-	2021	17.7 Days	CHF 1000	Submit
Crystals crystals	2.7	3.6	2011	10.8 Days	CHF 2600	Submit
Materials materials	3.4	5.2	2008	14.7 Days	CHF 2600	Submit
Metals metals	2.9	4.4	2011	15 Days	CHF 2600	Submit

Published Papers (5 papers)

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All Coatings Compounds Crystals Materials Metals

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10 pages, 2661 KiB  

Open AccessArticle

Distinguishing the Focal-Conic Fan Texture of Smectic A from the Focal-Conic Fan Texture of Smectic B

by

Natalia Osiecka-Drewniak

,

Zbigniew Galewski

and

Ewa Juszyńska-Gałązka

Crystals 2023, 13(8), 1187; https://doi.org/10.3390/cryst13081187 - 30 Jul 2023

Cited by 1 | Viewed by 513

Abstract

This publication presents methods of distinguishing the focal texture of the conical smectic phase A (SmA) and the crystalline smectic B phase (CrB). Most often, characteristic transition bars are observed in polarized light at the temperature point of the SmA–CrB phase transition. TOApy [...] Read more.

This publication presents methods of distinguishing the focal texture of the conical smectic phase A (SmA) and the crystalline smectic B phase (CrB). Most often, characteristic transition bars are observed in polarized light at the temperature point of the SmA–CrB phase transition. TOApy software transforms each image from a series of images recorded during POM observation to a function of light intensity versus temperature. Thermo-optical analysis is a powerful quantitative tool to notice this phase transition, but it has some limitations. The other applied method, the local binary pattern (LBP) algorithm, with high probability, detects differences between the textures of the conical focal fan of the SmA and CrB phases. The LBP algorithm is an efficient tool for texture classification. Full article

(This article belongs to the Topic Phase Diagram, Phase Transition and Advanced Materials Design)

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13 pages, 5177 KiB  

Open AccessArticle

Microstructure and Phase Transition of Ag_50.5Cu_33.3Sn_16.2-xIn_x Alloys through Experimental Study and Thermodynamic Calculation

by

Qingsong Tong

,

Maohua Rong

and

Jiang Wang

Metals 2023, 13(7), 1296; https://doi.org/10.3390/met13071296 - 19 Jul 2023

Viewed by 601

Abstract

In this study, the solidified microstructure and phase transition temperatures of Ag_50.5Cu_33.3Sn_16.2-xIn_x (x = 5.0, 6.6, 8.2, 9.1, 9.9, 10.7, 11.5, 12.3; at.%) alloys were investigated using a scanning electron microscope with energy dispersive spectrometer (SEM-EDS) [...] Read more.

In this study, the solidified microstructure and phase transition temperatures of Ag_50.5Cu_33.3Sn_16.2-xIn_x (x = 5.0, 6.6, 8.2, 9.1, 9.9, 10.7, 11.5, 12.3; at.%) alloys were investigated using a scanning electron microscope with energy dispersive spectrometer (SEM-EDS) and differential thermal analysis (DTA). The experimental microstructure of Ag_50.5Cu_33.3Sn_16.2-xIn_x alloys demonstrates that the phase fraction of Fcc(Ag) phase increased gradually as the addition of In increased, while the phase fraction of Fcc(Cu) phase decreased. Moreover, the liquidus temperatures of Ag_50.5Cu_33.3Sn_16.2-xIn_x alloys also decrease with increasing In content. In this work, the Ag-Cu-Sn-In quaternary thermodynamic database was ideally extrapolated from the published literature for Ag-Cu-Sn, Ag-Cu-In, Ag-Sn-In and Cu-Sn-In thermodynamic databases. The calculated vertical section of Ag_50.5Cu_33.3Sn_16.2-Ag_50.5Cu_33.3In_16.2 agreed generally with the phase transition temperatures measured in the present experiment. Finally, the solidification behaviors of Ag_50.5Cu_33.3Sn_16.2-xIn_x as-cast alloys were analyzed by thermodynamic calculation of the Scheil–Gulliver non-equilibrium model. The simulated solidification processes of some Ag_50.5Cu_33.3Sn_16.2-xIn_x alloys are, in general, consistent with the experimental results in the present work, which would provide a theoretical basis for the design of novel Ag-Cu-Sn-In brazing alloys. Full article

(This article belongs to the Topic Phase Diagram, Phase Transition and Advanced Materials Design)

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13 pages, 23305 KiB  

Open AccessArticle

Unveiling the Alloying-Processing-Microstructure Correlations in High-Formability Sheet Magnesium Alloys

by

Jiyong Yang

,

Renhai Shi

and

Alan A. Luo

Metals 2023, 13(4), 704; https://doi.org/10.3390/met13040704 - 03 Apr 2023

Viewed by 1165

Abstract

Designing magnesium sheet alloys for room temperature (RT) forming is a challenge due to the limited deformation modes offered by the hexagonal close-packed crystal structure of magnesium. To overcome this challenge for lightweight applications, critical understanding of alloying-processing–microstructure relationship in magnesium alloys is [...] Read more.

Designing magnesium sheet alloys for room temperature (RT) forming is a challenge due to the limited deformation modes offered by the hexagonal close-packed crystal structure of magnesium. To overcome this challenge for lightweight applications, critical understanding of alloying-processing–microstructure relationship in magnesium alloys is needed. In this work, machine learning (ML) algorithms have been used to fundamentally understand the alloying-processing–microstructure correlations for RT formability in magnesium alloys. Three databases built from 135 data collected from the literature were trained using 10 commonly used machine learning models. The accuracy of the model is obviously improved with the increase in the number of features. The ML results were analyzed using advanced SHapley Additive exPlanations (SHAP) technique, and the formability descriptors are ranked as follows: (1) microstructure: texture intensity > grain size; (2) annealing processing: time > temperature; and (3) alloying elements: Ca > Zn > Al > Mn > Gd > Ce > Y > Ag > Zr > Si > Sc > Li > Cu > Nd. Overall, the texture intensity, annealing time and alloying Ca are the most important factors which can be used as a guide for high-formability sheet magnesium alloy design. Full article

(This article belongs to the Topic Phase Diagram, Phase Transition and Advanced Materials Design)

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10 pages, 2147 KiB  

Open AccessArticle

Understanding Interfacial Reactions in Ti–Ni Diffusion Couple

by

Amin Babaei-Dehkordi

,

Mansour Soltanieh

,

Mostafa Mirjalili

,

Mohammadreza Asherloo

and

Amir Mostafaei

Materials 2023, 16(6), 2267; https://doi.org/10.3390/ma16062267 - 11 Mar 2023

Cited by 1 | Viewed by 1157

Abstract

The diffusion phenomenon in the Ti–Ni binary system was investigated at a temperature of 1173 K. Microstructure and texture analysis revealed the formation of three stable intermetallic compounds, namely Ti₂Ni, TiNi, and TiNi₃, as well as two metastable intermetallic [...] Read more.

The diffusion phenomenon in the Ti–Ni binary system was investigated at a temperature of 1173 K. Microstructure and texture analysis revealed the formation of three stable intermetallic compounds, namely Ti₂Ni, TiNi, and TiNi₃, as well as two metastable intermetallic compounds, including Ti₃Ni₄ and Ti₂Ni₃, at the interfacial diffusion zone. The nucleation surface energy increase was analytically estimated, and marker experiments were conducted using thoria particles, both of which showed that Ti₂Ni was the first compound to form at the Ti–Ni diffusion interface. At a temperature of 1173 K, using the Wagner method, the integrated diffusion coefficients for the Ti₂Ni, TiNi, and TiNi₃ phases were calculated to be 3.53 × 10⁻¹², 18.1 × 10⁻¹⁵, and 6.2 × 10⁻¹⁵ m²/s, for, respectively. Full article

(This article belongs to the Topic Phase Diagram, Phase Transition and Advanced Materials Design)

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17 pages, 19210 KiB  

Open AccessArticle

Phase Equilibria of the Fe–Cr–Er Ternary System in the Range 973–1273 K

by

Chenbo Li

,

Yusong Nie

,

Rong Yin

,

Jifeng Yang

,

Lideng Ye

,

Libin Liu

and

Ligang Zhang

Materials 2023, 16(4), 1705; https://doi.org/10.3390/ma16041705 - 17 Feb 2023

Viewed by 923

Abstract

Phase relations of the Fe–Cr–Er system in the temperature range 973–1273 K were experimentally investigated using equilibrated alloys. The isothermal sections consisted of 9 single-phase regions, 16 two-phase regions, and 8 three-phase regions at 973 K and 1073 K. At 1273 K, the [...] Read more.

Phase relations of the Fe–Cr–Er system in the temperature range 973–1273 K were experimentally investigated using equilibrated alloys. The isothermal sections consisted of 9 single-phase regions, 16 two-phase regions, and 8 three-phase regions at 973 K and 1073 K. At 1273 K, the σ phase disappeared, and liquid appeared. All single phases had a solid solubility range that showed a downward trend with a decrease in temperature. The homogeneity range of the ErFe_12−xCr_x ternary compound was determined to be x = 1.8–4.5. The more accurate phase relations obtained in this work can better guide the preparation of Fe–Cr–Er alloys in actual production. Full article

(This article belongs to the Topic Phase Diagram, Phase Transition and Advanced Materials Design)

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