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2 format correct Catherine Yang -13 word(s) 201 2026-09-22 05:47:43 |

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Zhong, J. Alloy Design. Encyclopedia. Available online: https://encyclopedia.pub/entry/60201 (accessed on 24 September 2026).
Zhong J. Alloy Design. Encyclopedia. Available at: https://encyclopedia.pub/entry/60201. Accessed September 24, 2026.
Zhong, Jack. "Alloy Design" Encyclopedia, https://encyclopedia.pub/entry/60201 (accessed September 24, 2026).
Zhong, J. (2026, September 22). Alloy Design. In Encyclopedia. https://encyclopedia.pub/entry/60201
Zhong, Jack. "Alloy Design." Encyclopedia. Web. 22 September, 2026.
Alloy Design
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Alloy design is the deliberate choice of composition and processing route to obtain a specified set of properties, rather than the empirical adjustment of an existing grade. Thermodynamic calculation has long been the backbone of the work: assessed descriptions of the Gibbs energy of each phase let the equilibrium constitution, the transformation temperatures and the driving force for precipitation be computed before an alloy is melted, which is what the CALPHAD approach provides [1]. Such calculations have been used to set the chromium, niobium and carbon contents of heat-resistant cast steels where the target is creep strength near 1000 degrees Celsius [2]. Electronic-structure calculation adds quantities outside thermodynamics, among them stacking-fault energy and elastic constants, and is now routinely applied to screen refractory multi-principal-element alloys [3]. Entropy-based descriptors are used to rationalise which concentrated compositions form a single disordered solid solution instead of intermetallic compounds, although how far they predict is contested [4]. Machine-learning models trained on calculated and measured data are increasingly inserted between these steps; how much they shorten the search depends on how representative the training set is, and the transfer of a model fitted on one alloy family to another remains debated [5].

phase diagram computational thermodynamics high-entropy alloy thermodynamic database machine learning

References

  1. Kaufman, L. Computational Thermodynamics and materials design. Calphad 2001, 25, 141-161. [CrossRef]
  2. Zhang, Y.; Yang, J. CALPHAD-based alloy design of cast austenitic heat-resistant steels with enhanced strength at 1000 degrees Celsius. Calphad 2019, 67, 101679. [CrossRef]
  3. Zheng, S.; Wang, S. First-Principles Design of Refractory High Entropy Alloy VMoNbTaW. Entropy 2018, 20, 965. [CrossRef]
  4. Takeuchi, A.; Amiya, K.; Wada, T.; Yubuta, K.; Zhang, W.; Makino, A. Entropies in Alloy Design for High-Entropy and Bulk Glassy Alloys. Entropy 2013, 15, 3810-3821. [CrossRef]
  5. Lee, S.; Sohn, S.S.; Lee, H.S.; Kim, D.; Kang, Y. Accelerating High-Entropy Alloy Design via Machine Learning: Predicting Yield Strength from Composition. Materials 2026, 19, 196. [CrossRef]
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Update Date: 22 Sep 2026
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