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Thermodynamic modelling to predict phase stability in BCC + B2 Al–Ti–Co–Ni–Fe–Cr high entropy alloys
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- Conway, Patrick L. J. (författare)
- Jönköping University,JTH, Material och tillverkning,School of Materials Science and Engineering, UNSW Sydney, 2052, NSW, Australia
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- Golay, D. (författare)
- Department of Engineering, Harvey Mudd College, 301 Platt Blvd, Claremont, 91711, CA, United States
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- Bassman, L. (författare)
- Department of Engineering, Harvey Mudd College, 301 Platt Blvd, Claremont, 91711, CA, United States
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- Elsevier, 2022
- 2022
- Engelska.
- Ingår i: Materials Chemistry and Physics. - : Elsevier. - 0254-0584 .- 1879-3312. ; 276
- Tidskriftsartikel (refereegranskat)
Abstract
Ämnesord
Stäng
- This paper examines the potential of thermodynamic modelling as a simple and inexpensive means for assessing phase stability in a series of non-equiatomic high entropy alloys and compares with CALPHAD calculations to demonstrate an appropriate level of simplifying assumptions. The modelling was motivated by alloys from the Al–Ti–Co–Ni–Fe–Cr system, which were produced by iteratively following the natural compositional segregation of the two-phase BCC + B2 microstructure present in a Al2TiCoNiFeCr alloy after casting and heat treatment. This produced a range of multicomponent B2-type alloys with different volume fractions of a BCC secondary phase. The solubility limits and traditional empirical thermodynamic driving forces for phase stability were investigated to explain the formation of the two phases. Limitations of prior semi-empirical models are highlighted, with advancements demonstrated by accounting for contributions from the effect of ordering on configurational entropy, the difference in enthalpy from intermetallic compounds, and thermal influences on both entropy and enthalpy. The new models are compared against the current leading thermodynamic modelling approach, CALPHAD, with excellent correlation. This work outlines a methodology to predict and design phase constitution in future high-performance BCC + B2 alloys and, more generally, it demonstrates the value of models with temperature-dependent thermodynamic quantities for exploring new, complex compositional regions.
Ämnesord
- TEKNIK OCH TEKNOLOGIER -- Materialteknik (hsv//swe)
- ENGINEERING AND TECHNOLOGY -- Materials Engineering (hsv//eng)
Nyckelord
- B2 crystal structure
- BCC crystal Structure
- CALPHAD
- High entropy alloys
- Thermodynamic stability
- Aluminum alloys
- Chromium alloys
- Cobalt alloys
- Enthalpy
- Entropy
- High-entropy alloys
- Iterative methods
- Phase stability
- Titanium alloys
- B2 crystal
- Crystals structures
- Simple+
- Thermodynamic modelling
- Two phase
- Crystal structure
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- Golay, D.
- Bassman, L.
- Ferry, M.
- Laws, K. J.
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