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Phase‐field simulation and experimental validation of Mo‐doping effects on NbC–Ni cermets during liquid phase sintering
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A comparative study in estimating structural parameters of X-ray diffraction line broadening and a statistically based thermodynamic approach via the geometrical and Miedema semi-empirical model in NiCoFe(SiMn)x high entropy alloys
Experimental and Modeling Study of Binary and Ternary Mixtures of Propan-1-ol, Pyridine, and Nitrobenzene at T = (293.15, 298.15, 303.15, 313.15, and 323.15) K and Atmospheric Pressure
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Mixing behaviour of Al–Ga–Mg alloys in liquid state at different temperatures
Prevention of hot cracking in wire-arc additive manufacturing of iron-based shape memory alloy using a novel inter-layer machine hammer peening process
Thermophysical Properties of the Methyl tert-Butyl Ether + Benzene + n-Hexane Ternary System within the Temperature Range (293.15–313.15) K and Under Ambient Pressure: An Experimental and Modeling Approach
Altin Gjevori, Artan Llozana, Arbër Zeqiraj, Ariel Hernández, Naim Syla and Fisnik Aliaj International Journal of Thermophysics 46(2) (2025) https://doi.org/10.1007/s10765-025-03502-y
Thermodynamic calculation of the Mn−Sb and Mn−Bi−Sb systems
Yuchao Shi, Yufei Wang, Meifang Tang, Yinping Zeng, Yuling Liu, Biao Hu and Yong Du Materials Today Communications 48 113423 (2025) https://doi.org/10.1016/j.mtcomm.2025.113423
Predicting hydrogen storage capacity loss of FeTi by ab initio thermodynamic modelling of Fe–Ti–Si phase equilibria
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Effect of the excess entropy on the calculated activity interaction coefficient under the Miedema model and extrapolation method
Expansion of thermodynamic calculation principle of multi-component alloy and its application in the study of thermodynamic properties of the Cr–Mo–Nb–V high entropy alloy
Experimental study and thermodynamic modeling of the phase equilibria in the Mg-rich corner of Mg-Zn-Mn system
Tian Yin, Yang Guo, Zheng Ma, Wenxin Hu, Qun Luo, Bin Liu, Jieyu Zhang and Guangxin Wu International Journal of Minerals, Metallurgy and Materials 32(10) 2523 (2025) https://doi.org/10.1007/s12613-025-3153-3
A new CALPHAD based model for surface tension calculation, using Ni-Cu-Fe and Ti-Zr-Hf as examples
Insights into Molecular Interactions in Binary and Ternary Mixtures of Propan-1-ol, Pyridine, and Benzene: An Experimental and Modeling Approach
Arbër Musliu, Kaltrinë Krasniqi, Tahir Arbneshi, Ariel Hernández, Naim Syla and Fisnik Aliaj Journal of Chemical & Engineering Data 70(2) 934 (2025) https://doi.org/10.1021/acs.jced.4c00678
Study on development of wire-arc additive manufacturing of Fe-49Co-2V alloy for soft-magnetic applications
Niraja Moharana, Ravi Kumar, Ryo Maezono and K. C. Hari Kumar Journal of the American Ceramic Society 108(7) (2025) https://doi.org/10.1111/jace.20521
Thermophysical Properties of Propan-1-ol + Cyclohexane + Benzene and the Binary Mixtures Propan-1-ol + Cyclohexane and Propan-1-ol + Benzene at Six Temperatures and Atmospheric Pressure: Experimental Data and Modeling
Thermodynamic modeling of the KCl-LiCl-NaCl-UCl3 system for molten salt electrolysis and reprocessing of spent nuclear fuel
Soumya Sridar, Liangyan Hao, Thomas Kirtley, Ethan Schneider, Toni Karlsson, Guy L. Fredrickson, Elizabeth Sooby and Wei Xiong Calphad 88 102801 (2025) https://doi.org/10.1016/j.calphad.2025.102801
Thermodynamic excess properties of the methyl
tert
-butyl ether + benzene + cyclohexane ternary system and its binary subsystems at temperature
T
= (293.15, 298.15, 303.15, and 313.15) K and ambient pressure
Applying the Effective Bond Energy Formalism (EBEF) to Describe the Sigma (σ) Phase in the Co-Cr-Ni-Re System
Júlio César Pereira dos Santos, Sean Griesemer, Nathalie Dupin, Ursula R. Kattner, Chuan Liu, Daniela Ivanova, Thomas Hammerschmidt, Suzana G. Fries, Chris Wolverton and Carelyn E. Campbell Journal of Phase Equilibria and Diffusion 45(3) 330 (2024) https://doi.org/10.1007/s11669-023-01079-3
Data-driven study of the enthalpy of mixing in the liquid phase
Experimental and Predicted Densities and Refractive Indices of the Ternary Mixtures (Glycerol + Water + Methanol), (Glycerol + Water + Ethanol) and (Glycerol + Water + 2-Propanol) at Different Temperatures and Ambient Pressure
Experimental investigations and thermodynamic assessment of the Al–Er–Sc system
Yanbin Kang, Zhao Lu, Haiqing Qin, Lin Zhao, Rui Zhang, Jinguo Ge, Qingrong Yao, Caimin Huang, Zhiwei Wei, Qianxin Long, Jiang Wang and Huaiying Zhou Calphad 85 102689 (2024) https://doi.org/10.1016/j.calphad.2024.102689
Thermodynamic Modeling of the Au-Ge-X (X = In, Sb, Si, Zn) Ternary Systems
Yuchen Bai, Qingsong Tong, Maohua Rong, Cong Tan, Xingyu Liu, Man Li and Jiang Wang Materials 17(9) 2137 (2024) https://doi.org/10.3390/ma17092137
Composition-based phase stability model for multicomponent metal alloys
Jay C. Spendlove, Bryan H. Fong, John H. Martin, Mark R. O’Masta, Andrew Pan, Tobias A. Schaedler and Eric B. Isaacs AIP Advances 14(1) (2024) https://doi.org/10.1063/5.0182293
Design method of immiscible dissimilar welding (Mg/Fe) based on CALPHAD and thermodynamic modelling
Chengwei Zang, Xiaoye Zhao, Hongbo Xia, Wei Wen, Zhuoming Tan, Caiwang Tan and Pedro E.J. Rivera-Díaz-del-Castillo Materials & Design 243 113050 (2024) https://doi.org/10.1016/j.matdes.2024.113050
Calorimetric Studies and Thermodynamic Modeling of Ag–Mg–Ti Liquid Alloys
Weronika Gozdur, Władysław Gąsior, Maciej Zrobek, Andrzej Budziak, Roman Dębski, Wojciech Gierlotka, Magda Pęska, Marek Polański and Adam Dębski Materials 17(8) 1786 (2024) https://doi.org/10.3390/ma17081786
Densities and Excess Molar Volumes of the Butan-1-ol + Cyclohexane + Benzene Ternary System within the Temperature Range (293.15–333.15) K and under Ambient Pressure
Arbër Zeqiraj, Artan Llozana, Altin Gjevori, Tahir Arbneshi, Rozafa Krasniqi, Verona Elshani, Naim Syla and Fisnik Aliaj Journal of Chemical & Engineering Data 69(8) 2700 (2024) https://doi.org/10.1021/acs.jced.4c00235
Experimental investigation and thermodynamic evaluation of the C–Fe–Zr ternary system
Phase Equilibria and Melting of Aluminum-Rich Al-Nd-Ti Alloys
Sapir Cohen, Victor Y. Zenou, Sigalit Ifergane, Eyal Grinberg and Eli Brosh Metals and Materials International 30(3) 629 (2024) https://doi.org/10.1007/s12540-023-01534-3
Effect of Si additions on the microstructure and properties of Cu-Cr-Mg alloy
Su Shao, Muzhi Ma, Chenying Shi, Yuling Liu, Yi Yang, Dongdong Zhao and Yong Du Materials Science and Engineering: A 918 147432 (2024) https://doi.org/10.1016/j.msea.2024.147432
CALPHAD-Type Reassessment of Cu-Si and Full Assessment of the Al-Cu-Si Systems
Predicting the solid solution structure preference of multi-component alloys
Yongkang Tan, Lei Zhang, Liyang Fang, Hongmei Chen, Xiaoma Tao, Yong Du and Yifang Ouyang Journal of Materials Research and Technology 32 3514 (2024) https://doi.org/10.1016/j.jmrt.2024.08.084
On the applicability of the Redlich-Kister framework for viscosity estimation of molten halide salt mixtures
Thermophysical Properties and PC-SAFT Modeling of Binary Mixtures (Glycerol + 1,2-Ethanediol and Glycerol + 1,2-Propanediol) and Ternary Mixtures (Glycerol + Water + 1,2-Ethanediol, Glycerol + Water + 1,2-Propanediol, and Glycerol + Water + 1,3-Butanediol), at Various Temperatures and Atmospheric Pressure
Estimation of mixing enthalpy of the liquid Sn-Ag-Cu system at 1423 K from data on the properties of binary subsystems using geometric models of solutions
Experimental investigation and thermodynamic modelling of WC-Fe-Ni-Co-Cr cemented carbides
Tomás Soria-Biurrun, Soumya Sridar, Karin Frisk, Wei Xiong and José M. Sánchez-Moreno International Journal of Refractory Metals and Hard Materials 124 106824 (2024) https://doi.org/10.1016/j.ijrmhm.2024.106824
Thermodynamic optimization of KCl-LiCl-LaCl3 with ionic two-sublattice model for liquid
Thermodynamic and diffusion databases for uranium-based alloys and their applications in materials design
Peng Zhou, Yingbiao Peng, Yuling Liu, Yi Kong, Huaqing Zhang, Yinping Zeng, Baixue Bian, Xi Liu, Yong Du, Wenlin Mo, Tao Fa, Bin Bai and Xiaolin Wang Journal of Nuclear Materials 577 154296 (2023) https://doi.org/10.1016/j.jnucmat.2023.154296
Calorimetric studies and thermodynamic modelling of liquid Mg-Pb-Pd alloys
Application of the Redlich-Kister expansion for estimating the density of molten fluoride psuedo-ternary salt systems of nuclear industry interest
Anthony Birri, Ryan Gallagher, Can Agca, Jake McMurray and N. Dianne Bull Ezell Chemical Engineering Science 260 117954 (2022) https://doi.org/10.1016/j.ces.2022.117954
Empirical estimation of densities in NaCl-KCl-UCl3 and NaCl-KCl-YCl3 molten salts using Redlich-Kister expansion
Interaction of the components in liquid glass-forming Fe–Hf–Ni alloys
Liya Dreval, Vladislav Korsun, Pavel Agraval, Anna Vodopyanova and Mikhail Turchanin The Journal of Chemical Thermodynamics 173 106851 (2022) https://doi.org/10.1016/j.jct.2022.106851
Mixing enthalpy of the Co–Ti–Hf liquid alloys and regularities of the function change in the row of the ternary (Co, Ni, Cu)–Ti–Hf glass-forming melts
Mikhail Turchanin, Pavel Agraval, Liya Dreval, Anna Vodopyanova and Vladyslav Korsun Materials Today: Proceedings 62 7681 (2022) https://doi.org/10.1016/j.matpr.2022.03.130
Thermodynamic calculation of the phase diagram of the Co–Nb–Ta system
Thermodynamic Modeling of the Ag-Cu-Sn Ternary System
Qingsong Tong, Jing Ge, Maohua Rong, Jielong Li, Jian Jiao, Lu Zhang and Jiang Wang Metals 12(10) 1557 (2022) https://doi.org/10.3390/met12101557
Interaction of Components in Glass-Forming Melts of Iron and Nickel with Titanium, Zirconium, and Hafnium I. Mixing Enthalpies of Liquid Alloys
M.A. Turchanin, L.O. Dreval, P.G. Agraval, V.A. Korsun and A.O. Vodopyanova Powder Metallurgy and Metal Ceramics 60(9-10) 617 (2022) https://doi.org/10.1007/s11106-022-00274-0
High‐temperature mass spectrometric study of thermodynamic properties in the TiO2–Al2O3–SiO2 system and modeling
Valentina L. Stolyarova, Viktor A. Vorozhtcov, Daria V. Shemchuk, Andrey L. Shilov, Sergey I. Lopatin, Vyacheslav I. Almjashev, Elena B. Shuvaeva and Svetlana A. Kirillova Rapid Communications in Mass Spectrometry 36(19) (2022) https://doi.org/10.1002/rcm.9359
Diffusivities and atomic mobilities in the Ni-rich fcc Ni–Al–Cu alloys: experiment and modeling
Liang Zhong, Yuling Liu, Huixin Liu, Shiyi Wen, Fei Wang, Changfu Du, Qianhui Min, Milena Premovic, Zhoushun Zheng, Jieqiong Hu and Yong Du International Journal of Materials Research 113(5) 351 (2022) https://doi.org/10.1515/ijmr-2021-8426
Experimental investigation and thermodynamic calculation in the Al–Be–Si ternary system
Experimental and theoretical study of WC-40Fe-20Co-40Ni
Tomas Soria-Biurrun, Jose M. Sánchez-Moreno and Karin Frisk International Journal of Refractory Metals and Hard Materials 102 105719 (2022) https://doi.org/10.1016/j.ijrmhm.2021.105719
Thermodynamic assessment of the Fe–Ni–Rh–Ti system
