Results 21 to 30 of about 1,316 (183)
First-principles and CALPHAD-type study of the Ir-Mo and Ir-W systems [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2020 This study presents the thermodynamic modeling of the Ir-Mo and Ir-W systems by means of the CALPHAD (CALculation of PHAse Diagrams) approach supported with the first-principles calculations.
Huang Y.-Y. +5 more
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JEMMME (Journal of Energy, Mechanical, Material, and Manufacturing Engineering), 2021 Heat treatable Al-Zn-Mg-Cu alloys are widely used in automobile industries, aerospace and military applications. This study investigates the effects of different amounts of copper and magnesium on microstructure and mechanical properties.
Md. Jasim Uddin, Hossain Rashed
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Impact of Values of Diffusion Coefficient on Results of Diffusion Modelling Driven by Chemical Potential Gradient [PDF]
Archives of Foundry Engineering, 2022 In the paper critical role of including the right material parameters, as input values for computer modelling, is stressed. The presented model of diffusion, based on chemical potential gradient, in order to perform calculations, requires a parameter ...
M. Wróbel, A. Burbelko
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Thermodynamic modelling of the binary indium-lithium system, a promising li-ion battery material [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2022 The binary In – Li system is a promising Li-ion battery anode material as well as a part of the important ternary Ge – In – Li system. The thermodynamic descriptions of metallic systems are widely used to retrieve information necessary for alloy ...
Gierlotka W. +3 more
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Materials & Design, 2022 Navigating through the phase space of multi-principal element alloys (mpeas) with desired microstructures and outstanding properties is challenging due to extremely high degrees of freedom in alloy composition and processing conditions. Separate Al and C
Fabian Kies +5 more
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The Influence of Alloy Composition and Liquid Phase on Foaming of Al–Si–Mg Alloys
Metals, 2020 The foaming behaviour of aluminium alloys processed by the powder compaction technique depends crucially on the exact alloy composition. The AlSi8Mg4 alloy has been in use for a decade now, and it has been claimed that this composition lies in an “ ...
Francisco García-Moreno +6 more
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Development of CALPHAD database for both Ti- and TiAl-based alloys [PDF]
MATEC Web of Conferences, 2020 Phase diagram calculations and phase transformation simulations have been widely employed to materials design and process optimization. Recent development of a 27-element thermodynamic database (TCTI2) together with a compatible mobility database (MOBTI3)
Yang Yang +3 more
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Calphad Modeling of LRO and SRO Using ab initio Data
Metals, 2020 Results from DFT calculations are in many cases equivalent to experimental data. They describe a set of properties of a phase at a well-defined composition and temperature, T, most often at 0 K. In order to be practically useful in materials design, such
Masanori Enoki +4 more
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Thermodynamic re-assessment of the Al-Sn-Zn ternary system [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2019 In this paper, a thermodynamic re-assessment of the Al-Sn-Zn ternary system was performed by means of the CALculation of PHAse Diagram (CALPHAD) approach.
Cheng T., Zhang L.-J.
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High-Temperature Thermodynamics of Uranium from Ab Initio Modeling
Applied Sciences, 2023 We present high-temperature thermodynamic properties for uranium in its γ phase (γ-U) from first-principles, relativistic, and anharmonic theory. The results are compared to CALPHAD modeling.
Per Söderlind +5 more
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