Results 51 to 60 of about 4,338 (236)
pycalphad: CALPHAD-based Computational Thermodynamics in Python
Journal of Open Research Software, 2017 The pycalphad software package is a free and open-source Python library for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria using the CALPHAD method.
Richard Otis, Zi-Kui Liu
doaj +1 more source
npj Computational Materials, 2020 During powder production, the pre-alloyed powder composition often deviates from the target composition leading to undesirable properties of additive manufacturing (AM) components.
Xin Wang, Wei Xiong
doaj +1 more source
BSTS synthesis guided by CALPHAD approach for phase equilibria and process optimization
Scientific Reports, 2023 This work presents a new method for processing single-crystal semiconductors designed by a computational method to lower the process temperature.
Husain F. Alnaser, Taylor D. Sparks
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Advanced Engineering Materials, EarlyView.A combined experimental–computational framework identifies energy‐dependent laser absorptivity for NiTi in laser powder‐bed fusion, applicable to conduction and transition modes. Single‐track experiments and thermofluid smoothed particle hydrodynamics simulations are coupled through inverse analysis of melt pool geometry.
Mohamadreza Afrasiabi +3 more
wiley +1 more source
Thermodynamics of Plutonium Monocarbide from Anharmonic and Relativistic Theory
Applied Sciences, 2020 Thermodynamics of plutonium monocarbide is studied from first-principles theory that includes relativistic electronic structure and anharmonic lattice vibrations. Density-functional theory (DFT) is expanded to include orbital-orbital coupling in addition
Per Söderlind +4 more
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Experimental and thermodynamic description of ternary Bi-Cu-Ga system [PDF]
Journal of Mining and Metallurgy. Section B: Metallurgy, 2017 Phase diagram of the Bi-Cu-Ga ternary system has been investigated experimentally with 27 alloys and analytically by using a Calphad method. Thirteen annealed alloys at 200°C were investigated by using scanning electron microscopy (SEM) with energy ...
Minić D. +8 more
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Unveiling a Bulk WTaV Multicomponent Alloy With Superior Thermal Properties and Manufacturability. [PDF]
Adv Sci (Weinh)ABSTRACT Many tungsten (W)‐based medium and high entropy alloys (HEA) demonstrate superior microstructural stability and enhanced mechanical properties as compared to pure W, effectively rendering them as viable candidate materials for extreme environments such as nuclear fusion, aerospace applications, and so on.
Robin IK +11 more
europepmc +2 more sources
Materials Transactions, JIM, 1992 CALPHAD, Computer Calculation of Phase Diagrams, has made significantly accomplishments since 1970's. In this paper, some examples of phases diagrams obtained by the CALPHAD method are presented. Especially, the microstructure design based on CALPHAD for magnetic materials is reviewed.
openaire +2 more sources
Advances in Magnesium‐Based Thermoelectrics: A Critical Review
Advanced Materials, EarlyView.Magnesium‐based thermoelectric materials have emerged as promising candidates for low‐to‐mid‐temperature energy conversion due to their abundance, low cost, and competitive performance. This review summarizes recent advances in Mg3X2, MgAgSb, and Mg2X systems, covering transport mechanisms, fabrication strategies, stability challenges, and device ...
Li‐Min Zhang +5 more
wiley +1 more source
The third generation Calphad description of Al-C including revisions of pure Al and C
, 2021 New descriptions of pure Al and liquid C were developed and used to describe the Al-C system for the third generation of Calphad databases. The stable phases of the elements are described with a single expression for the entire temperature range.
Kaplan, Bartek, +3 more
core +1 more source