Demonstration of Combinatorial Additive Manufacturing Approach for the Design of Alloy
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Frigola, Pedro↗
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Results for “Alloy Design”
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Development & Validation of Low-Cost, Highly-Durable, Spinel-Based Materials for SOFC Cathode-Side Contact (Final Report)
A cathode-side contact layer is required to provide and maintain stable electrical conduction paths between the interconnect and cathode in a solid oxide fuel cell (SOFC) stack assembly and thus minimize the ohmic resistance and stack power loss. Current cathode-interconnect contact materials are based on noble metals, electrically-conductive perovskites, their composite materials, etc. These materials are either too expensive or do not possess the overall balanced performance required for the cathode-side contact application. To achieve the DOE SOFC system cost and performance stability goals, a new generation of low-cost, high-performance contact materials needs to be developed. In this project, spinel-based materials thermally converted from the Fe-Ni and Co-Mn based alloy precursors were developed and validated for the cathode-side contact application. The precursor alloy compositions were optimized via a combination of composition screening in the (Ni,Fe) 3 O 4 and (Mn,Co) 3 O 4 spinel system, alloy design using physical metallurgy principles, and cost considerations. The alloy powders with the desired composition and particle size were manufactured via gas atomization. The optimal process parameters for thermal conversion of these alloy precursor layers to a spinel-based layer were identified, i.e., 900°C x 2h in air, which is close to the initial stack firing condition. The area-specific resistances (ASRs) of the interconnect/contact/cathode test assemblies with the developed contact layer were determined for various durations (up to 5000 h) under simulated cathodic operation conditions. Some of the alloy-derived spinel contacts exhibited the lowest ASR and ASR degradation rate. The in-stack performance of the most promising alloy-derived contact layer is currently being evaluated via stack testing. To reduce the stack cost, the Co-Mn based alloy powders were utilized as the precursor for synthesis of dense spinel-based interconnect coating. By optimizing both the initial powder size/distribution and the alloy powder composition, a dense (Mn,Co) 3 O 4 -based spinel coating was achieved. Furthermore, co-sintering of the coating/contact dual-layer structure under the initial stack firing condition was realized by utilizing the tailored Co-Mn alloy precursors. Cost analysis of the developed technology indicated a total stack cost reduction of around 10.6% with the implementation of co-sintering of the interconnect coating and the contact layer during initial stack firing. Since low-cost processes such as screen printing is utilized in the precursor application and no reduction heat treatment is needed for the coating formation, the developed technology can be readily implemented at the industrial partner’s manufacturing facilities with no additional capital investment needed.
08 HYDROGEN↗
Initial Design Curves for Alloy 709 for an Improved Creep-fatigue Design Method
Creep-fatigue (CF) interaction damage is the primary damage mode for high-temperature structural components subjected to cyclic loading. Over the past several decades, researchers within the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), Section III, Division 5, have focused on developing elevated temperature code rules to ensure conservative structural designs that mitigate CF failure in high-temperature reactors. The existing CF evaluation methodologies in the Code are based on the creep and fatigue damage diagram approach, which is complex and often excessively conservative. The alternative CF evaluation approach proposed here is intended to significantly simplify the evaluation procedure while reducing conservatism in high-temperature component design analysis. This alternative CF evaluation method integrates the elastic–perfectly plastic (EPP) analysis approach with the simplified model test (SMT) CF design concept, leveraging the advantages of both methods. This report presents the preliminary analysis and the approach for developing CF design curves for Alloy 709, utilizing fatigue and CF data generated for the 100,000-hr Code Case to support its qualification to ASME Section III, Division 5 for Class A construction of high temperature reactors. This study is to support the incorporation of Alloy 709 in this alternative CF evaluation method. Recommendations for the remaining work needed to complete the effort are also provided.
36 MATERIALS SCIENCE↗
Creep Property of Intermetallic Dispersive Steels for Nuclear Applications
To meet the materials performance demands of next-generation nuclear and high-temperature energy systems, a new class of intermetallic-dispersive steels (IDS) has been designed through integrated computational thermodynamics and alloy design strategies. The IDS alloys incorporate coherent L1₂ (γ′-Ni₃Al) nanoprecipitates within an Fe–Ni–Cr austenitic matrix, engineered to achieve both high temperature strength and thermodynamic stability while suppressing the formation of detrimental δ-Ni₃Nb and η-Ni₃Ti phases. Initial creep testing of Ti-IDS and TiTa-IDS alloys demonstrates rupture lives comparable to or exceeding those of Inconel 718 and ODS steels, despite being fabricated through conventional ingot metallurgy. Step-load creep tests identified a stress threshold near 300–350 MPa for the onset of tertiary creep, and in-situ neutron diffraction experiments on Ti-IDS revealed clear load partitioning between the matrix and γ′ precipitates: elastic strain is shared by both phases, while plastic strain localizes in the matrix. These results confirm that stable γ′–matrix interfaces play a dominant role in retarding dislocation motion and enhancing creep resistance. In FY26, the program will conduct repeat creep rupture testing of TiTa-IDS at 650 °C/400 MPa, initiate long-term rupture testing of TiNb-IDS, and perform TEM-based microstructural characterization to elucidate dislocation–precipitate interactions and microstructural stability. Collectively, these efforts will establish the mechanistic foundation for next-generation high-temperature structural materials based on the IDS concept.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Disordered interfaces enable high temperature thermal stability and strength in a nanocrystalline aluminum alloy
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99 GENERAL AND MISCELLANEOUS↗
Integrated computational materials engineering of corrosion resistant alloys
Structure, composition and surface properties dictate corrosion resistance in any given environment. The degrees of freedom in alloy design are too numerous in emerging materials such as high entropy alloys and bulk metallic glasses for the use of high-throughput methods or trial and error. We review three domains of knowledge that can be applied towards the goal of corrosion resistant alloy (CRA) design: (a) the aggregation of knowledge gained through experience in developing CRAs empirically, (b) data-driven approaches that use descriptive metrics for alloy composition optimization, and (c) first-principles models of elementary processes that regulate corrosion informed by theory and inspired by phenomenological models in the literature. A path forward for integrated computational materials engineering (ICME) of CRAs that unites these three knowledge domains is introduced.
36 MATERIALS SCIENCE↗
Properties of Alloy 617 for Heat Exchanger Design
Abstract – Alloy 617 is among the primary candidates for very high temperature reactor heat exchangers anticipated for use up to 950ºC. Elevated temperature properties of this alloy and the mechanisms responsible for the observed tensile, creep and creep-fatigue behavior have been characterized over a wide range of test temperatures up to 1000ºC. Properties from the current experimental program have been combined with archival information from previous VHTR research to provide large data sets for many heats of material, product forms, and weldments. The combined data have been analyzed to determine conservative values of yield and tensile strength, strain rate sensitivity, creep-rupture behavior, fatigue and creep- fatigue properties that can be used for engineering design of reactor components. Phenomenological models have been developed to bound the regions over which the engineering properties are well known or can be confidently extrapolated for use in design.
Alloy 617↗
Development of a gall-resistant stainless-steel hardfacing alloy
Here, this work details the development of a new cobalt-free stainless steel powder metallurgy hardfacing alloy designed to replace Stellite 6, a cobalt-based hardfacing alloy used in nuclear valve applications. The fundamental strategy centers on alloying stainless steels with up to 0.5 wt% nitrogen, which is shown to increase both the volume fraction of hard phase precipitates and the strain-hardening rate of the matrix. The resultant alloy, Nitromaxx, exhibits galling performance that is comparable to Stellite 6, up to 350 °C. This performance is attributed to the suppression of strain localization events associated with galling. In particular, transmission electron microscopy and diffraction measurements from tensile tests show that the nitrogen addition decreases the calculated matrix stacking fault energy and enhances both deformation-induced martensite transformation at room temperature and deformation twinning at elevated temperature. These strain-hardening mechanisms, coupled with the increase in precipitate volume fraction, effectively suppress localization and enhance galling resistance up to 350 °C. Lastly, the enhanced galling resistance cannot be rationalized in terms of tensile stress-strain response alone.
36 MATERIALS SCIENCE↗
Computational thermodynamics aided design of novel ferritic alloys
With the aid of computational thermodynamics, Ni was identified to suppress the liquidus temperature of Fe 2 Zr and four Fe-Cr-Ni-Zr alloys were designed to study the Ni effect on the phase stability of Fe 2 Zr laves_phase. These alloys were fabricated through traditional arc-metling, followed by annealing at 1000 C for 336 hours and 700 C for 1275 hours. The microstructure were examined and characterized by SEM BSE image, EDS compositional mapping and point scan, XRD and TEM analysis. The major results were summarized below: 1)For investigated alloys with 12wt% Cr, 3~6wt% Zr and 3~9 wt%Ni, the phases in equilibrium with the BCC phase are C15_Laves phase, Fe 23 Zr 6 phase. The volume fraction of intermetallic phases increases with Ni and Zr contents. 2)Instead of (Fe,Cr) 2 Zr C14_Laves phase, Ni stabilizes the C15_Laves structure in Fe-Cr-Ni-Zr alloys by substituting Fe and Cr atoms with Ni atoms in the first sublattice. 3)Fe 23 Zr 6 , that is metastable in the Fe-Cr-Zr ternary, is also stabilized by Ni addition. 4)Ni 7 Zr 2 phase was observed in samples with high Ni/Zr ratio. Extensive solubility of Fe was identified in the phase. The microstructural and composition results obtained from this study will be incorportated into the the Fe-Cr-Ni-Zr database. The current samples will be subjected to ion irradiaition to be compared with those results for Fe-Cr-Zr alloys. Additional alloys will be designed to form (Fe,Cr,Ni) 2 Zr nanoprecipitates for further studies.
36 MATERIALS SCIENCE↗
Design of Experiment for Irradiation of Welded Candidate Fe-Cr-Al Alloys
The objective of the irradiation campaign described within is to provide critical data on the radiation response of candidate Fe-Cr-Al alloys designed to have enhanced weldability and radiation tolerance. This objective will be met by using a specialized irradiation capsule to be inserted into Oak Ridge National Laboratory’s High Flux Isotope Reactor (HFIR) followed by extensive post irradiation examination (PIE) including mechanical testing and microstructural characterization. Several different irradiation temperatures and doses will be investigated to establish temperature/dose relationships on specific radiation-induced and/or radiation-enhanced mechanisms within the candidate Fe-Cr-Al alloys. Data and analysis as the result of these efforts will enable informed decisions on the future use of Fe-CrAl alloys for a wide range of nuclear power generation applications including fission and fusion based reactor applications.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Synergistic Computational and Microstructural Design of Next- Generation High-Temperature Austenitic Stainless Steels
The purpose of this project was to: 1) study deformation twinning, its evolution, thermal stability, and the contribution on mechanical response of the new advanced stainless steels, especially at elevated temperatures; 2) study alumina-scale formation on the surface, as an alternative for conventional chromium oxide, that shows better oxidation resistance, through alloy design; and 3) design new generation of high temperature stainless steels that form alumina scale and have thermally stable nano-twins. The work involved few baseline alloys for investigating the twin formation under tensile loading, thermal stability of these twins, and the role of deformation twins on the mechanical response of the alloys. These baseline alloys included Hadfield Steel (Fe-13Mn-1C), 316, 316L and 316N stainless steels. Another baseline alloy was studied for alumina-scale formation investigations. Hadfield steel showed twinning but undesired second phases formed at higher temperatures. 316N stainless steel did not show signs of deformation twinning. Conventional 316 stainless steel demonstrated extensive deformation twinning at room temperature. Investigations on this alloy, both in single crystalline and polycrystalline forms, showed that deformation twins evolve in a hierarchical manner, consisting of micron–sized bundles of nano-twins. The width of nano-twins stays almost constant as the extent of strain increases, but the width and number of the bundles increase with increasing strain. A systematic thermomechanical cycling study showed that the twins were stable at temperatures as high as 900°C, after the dislocations are annealed out. Using such cycles, volume fraction of the thermally stable deformation twins were increased up to 40% in 316 stainless steel. Using computational thermodynamics and kinetics calculations, we designed two generations of advanced austenitic stainless steels. In the first generation, Alloy 1, which had been proposed as an alumina-forming austenitic stainless steel, is fully austenitic, but possesses carbides that were not dissolvable and could not be controlled. This alloy also did not show deformation twinning. Alloy 2 was designed based on alloy 1, but was not fully austenitic and had significant traces of uncontrollable precipitates as well. Alloy 3, also designed based on alloy 1, was mainly austenitic with evolution of a second phase along the grain boundaries, but also had precipitates that were not controllable. Based on the knowledge gained from the first generation of the designed steels, two more steels, called PGAA1 and PGAA2, were proposed using genetic algorithms that, based on the modelling, were supposed to exhibit alumina-scale formation. PGAA1, however, did not demonstrate a fully austenitic structure. PGAA2 could achieve a mostly austenitic structure through thermo-mechanical processing, and was then used for oxidation tests. The oxidation tests of PGAA2, with and without nitrogen impurities, along with alloy 1, suggested that PGAA2 can form alumina-scale similar to alloy 1, but N impurity will prevent formation of such a scale, probably through formation of aluminum nitrides. For the above mentioned genetic algorithm framework of alloy design, separate models were developed for specific design criteria. For prediction of alumina formation in stainless steels, a model was constructed based off of two criteria – effective valence and third element effect. These criteria capture the thermodynamics and kinetics of alumina formation in steels. To test the efficacy and robustness of this model, they were tested against alloys in the literature which had been experimentally verified to exhibit alumina formation and the predictions were in excellent agreement with the experiments. Another meta-model for prediction of twinning in unknown steel compositions was developed by an informatics based machine learning/data mining approach. Stacking Fault Energy data was captured from the literature for a large number of steel compositions and then this data was used to build a classifier to predict deformation mechanisms. Here a training set-test set based analysis was performed to test performance. The above genetic algorithm based optimization framework for alloy design was exhibited to be a successful methodology for accelerated materials discovery in the context of alloy design.
36 MATERIALS SCIENCE↗
Rigorous computation of short-range order unifies its controversial effects in complex concentrated alloys
Direct experimental observations of chemical short-range order (SRO) in complex concentrated alloys (CCAs) have triggered high interest. However, the reported effects of SRO on yield stresses are controversial, and their atomic-scale mechanisms are elusive, which limits our ability to utilize SRO in alloy design. Here we tackle this challenge using an advanced computational approach that rigorously takes into account the critical lattice distortion in CCAs and further verify our theoretical predictions with experiments. We show that the CoCrNi model alloy has a narrow temperature window around 670 °C for SRO formation. This explains why the mechanical effect of SRO is observed in some experiments but not in others. Here, we propose an effective alloy-doping method to control SRO and reveal atomic-bonding types that dominate SRO formation for different alloys. The strategies and insights generally apply to a broad spectrum of alloys, laying the foundation for designing advanced alloys by manipulating their SRO.
36 MATERIALS SCIENCE↗
A unified description of ordering in HCP Mg-RE alloys
High throughput first-principles calculations were employed to unravel the thermodynamic stability of two sets of hierarchical phases, β P ''' and β S ''' , in Mg-RE (rare-earth) alloys. The β P ''' orderings (with compositions greater than x RE =0.125) are predicted to form in the Mg-{La,Ce,Pr,Nd,Pm,Sm} binary alloys, thus explaining experimental observations of RE atoms arranged as hexagonal rings in these alloys. Mg-{Sc,Y,Tb,Dy,Ho,Er,Tm,Lu} alloys are predicted to form β S ' (x RE =0.125) precipitates without hexagonal ring arrangements. The calculated misfit strains are used to infer the qualitative shapes of the precipitates and their relative aspect ratios. High aspect-ratio precipitates may be formed using alloying elements that encourage the formation of β P ''' . The predictions in this study can be used to inform alloy design of precipitation strengthened magnesium alloys.
36 MATERIALS SCIENCE↗
Genomic materials design: CALculation of PHAse Dynamics
The CALPHAD system of fundamental phase-level databases, now known as the Materials Genome, has enabled a mature technology of computational materials design and qualification that has already met the acceleration goals of the national Materials Genome Initiative. Here, as first commercialized by QuesTek Innovations, the methodology combines efficient genomic-level parametric design of new material composition and process specifications with multidisciplinary simulation-based forecasting of manufacturing variation, integrating efficient uncertainty management. Recent projects demonstrated under the multi-institutional CHiMaD Design Center notably include novel alloys designed specifically for additive manufacturing. With the proven success of the CALPHAD-based Materials Genome technology, current university research emphasizes new methodologies for affordable accelerated expansion of more accurate CALPHAD databases. Rapid adoption of these new capabilities by US apex corporations has compressed the materials design and development cycle to under 2 years, enabling a new “materials concurrency” integrated into a new level of concurrent engineering supporting an unprecedented level of manufacturing innovation.
36 MATERIALS SCIENCE↗
A Reactive Element Approach to Improve Fracture Healing in Metallic Systems
Self-healing materials demonstrate the ability to close fractures and regain mechanical integrity after a catastrophic failure. However, self-healing in metals can be inhibited by the natural tendency for technologically-relevant metallic systems to oxidize on the crack surface. This study seeks to provide a thermodynamically-based mechanism to enhance healing capability at a solid/liquid interface through alloys designed with a reactive element alloying addition possessing a lower free energy of oxide formation than the parent element. In this study, model Sb-Cu and Sb-Zn systems enable comparisons between mechanistic behaviors based only on thermodynamic reactivity. Mechanical and microstructural investigation demonstrated that the more reactive alloying addition resulted in more effective bonding through increasing bond area and load-bearing capacity of the system. The improved bonding was attributed to improved wetting and reduction of the passivating surface oxide across an interface. The work has potential to advance self-healing capabilities in metallic systems through more appropriate alloy selection to enable improved healing.
36 MATERIALS SCIENCE↗
Towards stacking fault energy engineering in FCC high entropy alloys
Stacking Fault Energy (SFE) is an intrinsic alloy property that governs much of the plastic deformation mechanisms observed in fcc alloys. While SFE has been recognized for many years as a key intrinsic mechanical property, its inference via experimental observations or prediction using, for example, computationally intensive first-principles methods is challenging. This difficulty precludes the explicit use of SFE as an alloy design parameter. In this work, we combine DFT calculations (with necessary configurational averaging), machine-learning (ML) and physics-based models to predict the SFE in the fcc CoCrFeMnNiV-Al high-entropy alloy space. The best-performing ML model is capable of accurately predicting the SFE of arbitrary compositions within this 7-element system. Finally, this efficient model along with a recently developed model to estimate intrinsic strength of fcc HEAs is used to explore the strength–SFE Pareto front, predicting new-candidate alloys with particularly interesting mechanical behavior.
36 MATERIALS SCIENCE↗
Lightweight High-Temperature Alloys Based on the AlFeSi System
Automotive applications need low-cost, lightweight, high-temperature alloys to enhance efficiencies in systems such as internal combustion engines. The aluminum-iron-silicon (Al-Fe-Si) system provides an opportunity to develop such a material, as it comprises three of the lowest cost elements abundant in nature. Specifically, the $τ_{11}$-Al 4 Fe 1.7 Si (historically called $τ_{10}$) ternary intermetallic phase is a lightweight and low-cost phase with promising mechanical properties at high temperatures. However, the $τ_{11}$-Al 4 Fe 1.7 Si phase has a narrow compositional range, which should be expanded to use this alloy at a commercial scale. To increase this compositional range, equilibrium phase boundaries were expanded using alloy design strategies.
36 MATERIALS SCIENCE↗
Design and Characterization of Hierarchically-Strengthened, Cast Al-Ce-Ni-Mn-Sc-Zr Alloys for High-Temperature Applications
We characterize the microstructure and mechanical properties of cast Al-Ce-Ni-Mn-Sc-Zr alloys designed for structural use above 300 °C. We first report on the effect of Ni on the as-cast phase formation, where all alloys consist of fine Al11Ce3 and Ni-rich eutectic phases, but the identity of the Ni-rich phase varies with Ni content. Furthermore, these alloys contain four coarsening-resistant strengthening phases as determined from SEM and APT investigations: (i) Al11Ce3 and (ii) Ni-rich micron-scale platelets formed during eutectic solidification, (iii) L12-Al3(Sc,Zr) nanoprecipitates formed during secondary aging, and (iv) Mn solute in the α-Al matrix. The Al-Ce-Ni-Mn-Sc-Zr alloy possesses higher microhardness and creep resistance than compositionally simpler alloys containing fewer of the strengthening phases, indicating that these strengthening mechanisms synergize to provide increased ambient- and elevated-temperature strength.
Ekaputra, Clement↗