Results 31 to 40 of about 1,316 (183)
Modelling Microstructure in Casting of Steel via CALPHAD-Based ICME Approach
Alloys, 2023 Integrated computational materials engineering (ICME) is emerging as an increasingly powerful approach to integrate computational materials science tools into a holistic system and address the multiscale modeling challenges in the processing of advanced ...
Chunhui Luo +6 more
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Algorithm to optimize thermodynamic parameters: A review [PDF]
Journal of Mining and Metallurgy. Section B: MetallurgyComputational thermodynamics provides essential information for materials design. The CALPHAD (CALculation of PHAse Diagrams) method based on thermodynamic databases can be used for thermodynamic optimization and for calculating phase diagrams and ...
Zhang Liang +8 more
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Experimental study and thermodynamic modeling of the Al–Co–Cr–Ni system
Science and Technology of Advanced Materials, 2015 A thermodynamic database for the Al–Co–Cr–Ni system is built via the Calphad method by extrapolating re-assessed ternary subsystems. A minimum number of quaternary parameters are included, which are optimized using experimental phase equilibrium data ...
Thomas Gheno +4 more
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ON PHASE DIAGRAM OF Au-Si NANOALLOY: MOLECULAR DYNAMICS AND THERMODYNAMIC SIMULATION
Физико-химические аспекты изучения кластеров, наноструктур и наноматериалов, 2019 Phase diagrams for Au-Si nanoparticles were constructed by using molecular dynamics and thermodynamic simulation, based on the CALPHAD methodology extended to nanoscale objects.
I.V. Talyzin +4 more
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Formation and Thermal Stability of ω-Ti(Fe) in α-Phase-Based Ti(Fe) Alloys
Metals, 2020 In this work, the formation and thermal stability of the ω-Ti(Fe) phase that were produced by the high-pressure torsion (HPT) were studied in two-phase α-Ti + TiFe alloys containing 2 wt.%, 4 wt.% and 10 wt.% iron.
Mario J. Kriegel +7 more
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An approach to determine enthalpies of formation for ternary compounds [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2010 An integrated approach of experiment and theoretical computation to acquire enthalpies of formation for ternary compounds is described. The enthalpies of formation (DHf ) for Al71Fe19Si10 and Al31Mn6Ni2 are measured via a calorimeter.
Du Y. +6 more
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Unexpected spinodal decomposition in as-cast eutectic high entropy alloy Al30Co10Cr30Fe15Ni15
Materials & Design, 2023 By integrating calculation of phase diagram (CALPHAD) simulations, ab initio molecular dynamics (AIMD) and experimental validation, we shed light on the unexpected spinodal decomposition in as-cast Al30Co10Cr30Fe15Ni15 alloy, as opposed to the eutectic ...
Kewu Bai +12 more
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Materials & Design, 2022 Multicomponent carbides have gained interest especially for ultra-high temperature applications, due to their ceramic hardness, good oxidation resistance and enhanced strength.
Barbara Osinger +5 more
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Stacking fault energy prediction for austenitic steels: thermodynamic modeling vs. machine learning
Science and Technology of Advanced Materials, 2020 Stacking fault energy (SFE) is of the most critical microstructure attribute for controlling the deformation mechanism and optimizing mechanical properties of austenitic steels, while there are no accurate and straightforward computational tools for ...
Xin Wang, Wei Xiong
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Data in Brief, 2023 This contribution contains the raw data used to compare experimental results with thermodynamic calculations using the CALPHAD method, which is related to the research article “The AlMo0.5NbTa0.5TiZr refractory high entropy superalloy: experimental ...
Patricia Suárez Ocaño +4 more
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