Combinatorial approaches for the design of metallic alloys

Deschamps, A.; Tancret, Franck; Benrabah, Imed Eddine; Geuser, F. de; Landeghem, H.P. Van

doi:10.1016/j.crhy.2018.08.001

Cited by 32 publications

(22 citation statements)

References 54 publications

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“…Improving the efficiency of the screening procedures implies addressing mainly three aspects: (i) apply suitable fast fabrication and post-fabrication treatment methods to produce an as large as reasonably possible number of batches of materials, with various compositions and/or architectures and/or microstructures, among which the best candidates need to be selected; (ii) identify experimental methods to accelerate exposure and subsequent testing, by rapidly measuring representative quantities that are considered as good indicators of the expected long term performance; and (iii) make use of advanced characterization and digital techniques as guidance to the development of new materials, by using a quantitative methodology that goes straight to the target, instead of proceeding by trial-and-error, solely based on the (invaluable but fallible) experience or intuition of the researchers involved. The keywords to make these three goals a reality are combinatorial fabrication [208][209][210], high throughput characterization and calculation [210,211], smart physics-based and data-driven modelling [178,[212][213][214][215], including automated microstructure recognition [215][216][217][218][219].…”

Section: Development Of Optimised or New Materials Solutionsmentioning

confidence: 99%

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Malerba

Mazouzi²,

Bertolus

et al. 2022

Energies

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Nuclear energy is presently the single major low-carbon electricity source in Europe and is overall expected to maintain (perhaps eventually even increase) its current installed power from now to 2045. Long-term operation (LTO) is a reality in essentially all nuclear European countries, even when planning to phase out. New builds are planned. Moreover, several European countries, including non-nuclear or phasing out ones, have interests in next generation nuclear systems. In this framework, materials and material science play a crucial role towards safer, more efficient, more economical and overall more sustainable nuclear energy. This paper proposes a research agenda that combines modern digital technologies with materials science practices to pursue a change of paradigm that promotes innovation, equally serving the different nuclear energy interests and positions throughout Europe. This paper chooses to overview structural and fuel materials used in current generation reactors, as well as their wider spectrum for next generation reactors, summarising the relevant issues. Next, it describes the materials science approaches that are common to any nuclear materials (including classes that are not addressed here, such as concrete, polymers and functional materials), identifying for each of them a research agenda goal. It is concluded that among these goals are the development of structured materials qualification test-beds and materials acceleration platforms (MAPs) for materials that operate under harsh conditions. Another goal is the development of multi-parameter-based approaches for materials health monitoring based on different non-destructive examination and testing (NDE&T) techniques. Hybrid models that suitably combine physics-based and data-driven approaches for materials behaviour prediction can valuably support these developments, together with the creation and population of a centralised, “smart” database for nuclear materials.

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Section: Development Of Optimised or New Materials Solutionsmentioning

confidence: 99%

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Malerba

Mazouzi²,

Bertolus

et al. 2022

Energies

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“…This enhances the search performance by diversifying the solution space and helps to avoid convergence to local optima. (11) The iteration continues until the stopping criteria is achieved, which can be determined based on the improvements of the objective functions. Example, the stopping criteria can be based on iteration number after which no improvements (movement of the Pareto front) are observed.…”

Section: Optimization Using Genetic Algorithmmentioning

confidence: 99%

“…The design of alloys for multiple property requirements via a conventional prototype-and-test protocol is prohibitively time consuming and expensive. The ICME approach can significantly reduce the burden of searching multidimensional space and make the problem tractable [10,11]. We previously reported an ICME framework for designing sintered alloys [12,13].…”

Section: Introductionmentioning

confidence: 99%

Computational Alloy Design for Process-Related Uncertainties in Powder Metallurgy

Molla

Atthapreyangkul

Schaffer

2022

Integr Mater Manuf Innov

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An integrated computational materials engineering approach to the design of alloys for supersolidus liquid phase sintering has been developed. The method aims to minimize the sensitivity of the alloys to variabilities in material (e.g., composition) and process parameters (e.g., temperature) during sintering while also maximizing mechanical properties. This is achieved by developing a fast acting and high throughput design models that can quantify the processability and the resulting mechanical properties. A highly processable alloy is defined as one that is tolerant to both composition and process conditions such that changes in either do not materially affect the alloy properties. The design models are validated using experimental data from the literature and the computational design approach is demonstrated by designing unique high-speed steels with enhanced processability for powder metallurgy.

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“…Such materials, usually made by joining dissimilar alloys subsequently heat-treated to promote interdiffusion, enable the exploration of a multitude of compositions, leading to maps of the composition-dependence of microstructures in a single step. This methodology is being actively developed in materials science [25], both from the viewpoint of microstructures [26] and from the viewpoint of related properties [27,28]. In steels, it has been used in conjunction with optical microscopy to characterize the effect of composition on recrystallization [29] and on austenite-to-ferrite transformation [24].…”

mentioning

confidence: 99%

“…In the field of nanoscale precipitation, several studies have been carried out by using synchrotron X-ray in-situ techniques (small-angle X-ray scattering (SAXS)) applied on compositionally-graded alloys to access phase transformation kinetics with simultaneous time-and space-resolution [30,31]. This is made possible by the high flux of synchrotron sources, which enables measuring a microstructural state with sufficiently high time resolution so that the composition gradient can be continuously scanned in front of the X-ray beam to monitor the progress of the transformation in all the alloy compositions that constitute the graded sample [25]. In the case of the austenite-to-ferrite phase transformation, a fast and quantitative measurement of phase fractions can be achieved in-situ during heat treatments by using high-energy X-ray diffraction (HEXRD).…”

mentioning

confidence: 99%

Use of Space-Resolved in-Situ High Energy X-ray Diffraction for the Characterization of the Compositional Dependence of the Austenite-to-Ferrite Transformation Kinetics in Steels

Benrabah

Landeghem

Bonnet

et al. 2019

QuBS

Self Cite

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In-situ high energy X-Ray diffraction (HEXRD) was used on compositionally graded steels to study the effect of substitutional elements on ferrite growth kinetics in Fe-C-X and Fe-C-X-Y systems. Two systems were selected to illustrate the applicability of the combinatorial approach in studying such transformations, Fe-C-Mn and Fe-C-Mn-Mo. Comparison between the measured ferrite growth kinetics using HEXRD and the predicted ones using Para-Equilibrium (PE) and Local Equilibrium with Negligible Partitioning (LENP) models indicates that the fractions reached at the stasis of transformation are lower than the predicted ones. Experiments indicated a deviation of measured kinetics from both PE and LENP models when increasing Mn and decreasing Mo (in Fe-C-Mn-Mo system). The large amount of data that can be obtained using this approach can be used for validating existing models describing ferrite growth kinetics.Quantum Beam Sci. 2019, 4, 1 2 of 17 is more complex than these limit cases. To explain this observation, it has been proposed that the interactions of solutes with the moving interface, while ignored in the two aforementioned models, lead to substantial dissipation of energy when the transformation occurs with negligible partitioning [14,15]. These interactions are known to exist because they lead to a compositional heterogeneity, or segregation, at the transformation interface that was experimentally measured using atom probe tomography (APT) or analytical transmission electron microscopy (TEM) [16][17][18]. The transport of this compositional heterogeneity during the transformation is the source of the additional dissipation termed solute drag (SD). Two different, but equivalent, formalisms were developed to express the amount of energy dissipated by solute drag [15,19]. This effect was integrated into a variety of models that displayed a better aptitude at predicting kinetics for broad ranges of composition and temperature in ternary systems [13,20,21]. One of the most notable characteristics of those models is their capability of describing the transition from PE to LENP transformation rates encountered in certain conditions. Attempts at generalizing those models to quaternary systems, containing two substitutional species, showed mixed results, which highlights the new questions they raise [22,23]. While they allow the description of complex interface behaviors, they require quantitative knowledge of thermodynamics in the interface, as a function of temperature and alloy composition [3].The effect of alloy composition can be tackled using a combinatorial approach on compositionally-graded alloys [24]. Such materials, usually made by joining dissimilar alloys subsequently heat-treated to promote interdiffusion, enable the exploration of a multitude of compositions, leading to maps of the composition-dependence of microstructures in a single step. This methodology is being actively developed in materials science [25], both from the viewpoint of microstructures [26] and from the viewpoint of related properties ...

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Combinatorial approaches for the design of metallic alloys

Cited by 32 publications

References 54 publications

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Materials for Sustainable Nuclear Energy: A European Strategic Research and Innovation Agenda for All Reactor Generations

Computational Alloy Design for Process-Related Uncertainties in Powder Metallurgy

Use of Space-Resolved in-Situ High Energy X-ray Diffraction for the Characterization of the Compositional Dependence of the Austenite-to-Ferrite Transformation Kinetics in Steels

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