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Integrated Computational Materials Engineering ICME: applied to modeling, production, characterization and testing high entropy alloys

Grant number: 22/02770-7
Support Opportunities:Research Grants - Initial Project Research Grant
Duration: April 01, 2023 - March 31, 2028
Field of knowledge:Engineering - Materials and Metallurgical Engineering - Physical Metallurgy
Principal Investigator:Francisco Gil Coury
Grantee:Francisco Gil Coury
Host Institution: Centro de Ciências Exatas e de Tecnologia (CCET). Universidade Federal de São Carlos (UFSCAR). São Carlos , SP, Brazil
Associated researchers:Claudemiro Bolfarini ; Daniel Roberto Cassar ; Guilherme Zepon ; Lucas Barcelos Otani ; Witor Wolf
Associated grant(s):23/03385-2 - Multi-user equipment approved in grant 2022/02770-7: nanoindentation, AP.EMU
Associated scholarship(s):24/01404-2 - Production and Characterization of High Entropy Alloy for Validation of Artificial Intelligence Method, BP.IC
24/00901-2 - Production and Characterization of High Entropy Alloy with Optimized Toughness by Genetic Algorithm, BP.IC
23/12712-7 - Production and Characterization of Precipitation Hardenable HEAs Designed by High perfomance Thermodynamic Calculations, BP.MS
+ associated scholarships 23/09668-6 - Production and characterization of samples with compositional gradients of precipitation-hardened high-entropy alloys, BP.DD
23/11472-2 - Production and Characterization of Optimized Toughness High Entropy Alloy of the V-Cr-Mn-Co-Ni System, BP.IC
23/06725-9 - Production and Characterization of Precipitation-Hardened Ni-Co-Fe-Cr-Al-Ti High-Entropy Alloy by High-Throughput CALPHAD, BP.IC
23/04907-2 - Production and Characterization of High Toughness HEAs by Genetic Algorithm, BP.MS - associated scholarships

Abstract

Over the past few years, computational algorithms have been introduced into almost every aspect of our lives, optimizing problem-solving processes at unprecedented speeds. In parallel, a new class of metal alloys, the so-called High Entropy Alloys (HEAs), which main feature is not having a single main element, has been attracting the attention of researchers in recent years. The vast field in which these alloys exist makes them promising, but it also poses a great challenge in their development as it is unfeasible to develop them by trial-and-error. The present project proposes the development and application of computational methods, called Integrated Computational Materials Engineering (ICME), for the development of new high entropy alloys for structural applications. Different strategies will be worked on for this development, including the use of genetic algorithms, artificial intelligence, high-throughput thermodynamic calculations and the use of samples with compositional gradients. These strategies will be combined with fundamental models for predicting phases, strengthening and deformation mechanisms. Alloys will be designed by this combination of techniques and will be produced experimentally by arc melting and/or vacuum induction melting. The different alloys will be characterized at multiple scales by state-of-the-art techniques, using scanning electron microscopy, transmission electron microscopy, X-ray diffraction, chemical analysis and differential scanning calorimetry. The mechanical behavior of the alloys will be evaluated by mechanical tensile, microhardness and nanohardness tests, with a nanoindenter to be acquired in this project. The interpretation of the nanoindentation curves will be done to obtain several additional information on hardness, such as elastic modulus and work hardening capacity of the alloy, which, when applied to alloys with compositional gradients, will provide libraries of results. All this experimental information will serve for the validation or reinterpretation of the fundamental models used in its conception, deepening the fundamental understanding of the physical metallurgy of concentrated alloys. The main results will be published in high impact international journals and patents will be sought for alloys with promising mechanical properties. The project will play an important role in consolidating the proponent's partnerships with six different international institutions. Finally, the present project was built in order to allow an overflow of the techniques and methodologies developed for the teaching field, in order to strengthen the curriculum of undergraduate and graduate students of the Materials Engineering course at UFSCar. (AU)

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Scientific publications
(References retrieved automatically from Web of Science and SciELO through information on FAPESP grants and their corresponding numbers as mentioned in the publications by the authors)
FERNANDES OLIVEIRA, PEDRO HENRIQUE; SIQUEIRA MANCILHA, PEDRO HENRIQUE; VALENZUELA REYES, RODRIGO ANDRE; DE GOUVEIA, GUILHERME LISBOA; BOLFARINI, CLAUDEMIRO; SPINELLI, JOSE EDUARDO; COURY, FRANCISCO GIL. Influence of the cooling rate on the solidification path and microstructure of a AlCoCrFeNi2.1 alloy. MATERIALS CHARACTERIZATION, v. 203, p. 13-pg., . (21/04302-8, 21/12589-5, 22/02770-7)

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