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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Characterization and Rationalization of Microstructural Evolution in GRCop-84 Processed by Laser-Powder Bed Fusion (L-PBF)

In this study, prismatic geometries of GRCop-84 [Cu-8Cr-4Nb (at. pct)] were built with laser-powder bed fusion (L-PBF) process. The samples were sectioned parallel or perpendicular to the build direction and characterized in the as-built and after post-processing with a hot-isostatically pressing (HIP) treatment. The microstructure and phase evolutions were evaluated with optical microscopy, scanning electron microscopy (SEM), electron backscattered diffraction (EBSD), and high-temperature X-ray diffraction (HTXRD) up to 1223 K. The samples in the as-built conditions exhibited predominantly columnar epitaxial and misoriented Cu-FCC grains. The microstructure evolutions are discussed based on locations within the overall build geometry, the dynamics of small melt pool shape and sectioning effects. The above grain structure did not change significantly during post-process HIP treatment. The stability of this FCC grain structure is attributed to the formation of primary stable Cr 2 Nb (Laves phase) during L-PBF, even before the emergence of FCC grains from liquid. The stability of Cr 2 Nb in both as-built and HIPed samples were evaluated using high-temperature X-ray diffraction measurements and compared with that of gas-atomized powder. The significance of these results is discussed with reference to aerospace applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

DED Additively Manufactured HEAs Optimized via Parametric Study of Functionally Graded Materials

Complex concentrated alloys (CCAs) are a system of alloys composition of nearly equiatomic elements, creating a state of high configurational entropy in the material. These alloys are of interest for various industrial applications due to their high strength and hardness, wide operational temperature range, creep and diffusion resistance, and radiation resistance. In the current work CoCrFeNi-base CCAs are synthesize by combining three commonly industrial alloys: IN718, SS316L, and 70Co30Cr (commercially known as Stellite 21), in-situ utilizing directed energy deposition (DED) additive manufacturing (AM). One bulk specimen is fabricated with a 1:1:1 ratio of IN718, SS316L, and 70Co30Cr where IN718 is a source of nickel and chrome, SS316 is a source of iron and chrome, and 70Co30Cr is a source of cobalt and supplemental chrome. Additionally, a functionally graded material (FGM) of the identified CCA system from SS316 was fabricated with 10 layers, where the initial five layers are the base material of SS316L and graded by steps of 20% to transition to the CCA system. Overall build quality, microstructure, compositional distribution, phases analysis, and microhardness were studied by laser optical microscopy, scanning election microscopy (SEM), energy dispersive spectroscopy (EDS), X-ray diffraction analysis (XRD), and Vickers microhardness techniques. Overall build quality showed a successful bulk build with acceptable density, however unmelted particles are observed in the as-built alloy. Compositional results show that the system meets the Boltzmann’s hypothesis definition of an HEA, and that an FCC CCA was produced with increased hardness, small grain size, and superior hardness properties to the SS316L substrate. While initial XRD results show predominately FCC structure, EDS analysis of interdendritic regions show the existence of Laves phases in the material. The fabrication of an FGM CCA allowed for potential screening of additional alloy mixes which may be of interest to explore in future research, and the resulting composition is compared to predicted values. This novel method of CCA fabrication results in substantial cost savings of these CCA systems over traditional methods.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Structural, magnetic and electrical transport properties of YMnAl

The intermetallic compound YMnAl, crystallizing in the cubic C-15 (MgCu 2 -type) structure, was prepared using arc-melting and annealing. Rietveld refinement of the XRD pattern yields a lattice parameter of a = 7.816(1) Å⁠. The system exhibits antiferromagnetic order with a transition temperature of approximately 38 K, along with indications of a spin-glass–like phase. The effective magnetic moment, estimated from Curie–Weiss fitting of the susceptibility versus temperature curve, is 6.06 μ B /f.u. and the Curie–Weiss temperature of −79 K confirming the antiferromagnetic nature. Isothermal magnetization measurements below and above the Néel temperature show no saturation, with a maximum magnetization of 0.09 μ B /f.u observed at an applied field of 9 T. The temperature dependence of resistivity exhibits a negative temperature coefficient, characteristic of dirty metals. Hall effect measurements indicate the absence of an anomalous Hall contribution. The Hall coefficient RH, carrier concentration n, and mobility μ estimated from R XY (H) are -1.05×10 -8 m 3 /C, 5.92×10 26 m -3 and 1.05×10 -3 m 2 /V.s, respectively. Our first-principles calculations indicate that YMnAl in the orthorhombic (Imma) structure has the lowest energy; however, the substitutional disorder occurring during experimental synthesis may favor the formation of the cubic Laves phase.

Crystallography↗
DOE OSTI2020

Intermediate-Term Thermal Aging Effect Evaluation for Grade 92 and 316L at The LWR Relevant Temperature

Life extension of the existing nuclear reactors imposes accumulated damages, such as higher fluences and longer period of corrosion, to structural materials, which would result in significant challenges to the traditional reactor materials such as type 304 and 316 stainless steels. Advanced alloys with superior radiation resistance will increase safety margins, design flexibility, and economics for not only the life extension of the existing fleet but also new builds with advanced reactor designs. The Electric Power Research Institute (EPRI) teamed up with Department of Energy (DOE) on the Advanced Radiation Resistant Materials (ARRM) program, aiming to develop and test degradation resistant alloys from current commercial alloy specifications by 2021 to a new advanced alloy with superior degradation resistance in light water reactor (LWR)-relevant environments by 2024. Based on a comprehensive microstructure and property screening performed in Phase-1 of the ARRM program, a total of five alloys, together with 316L and X-750 as references, were down-selected for Phase-2 neutron irradiation studies. Because thermal aging could exert a synergistic effect on neutron irradiation due to the low neutron damage rate on the order of 10 –7 displacements per atom per second (dpa/s), Grade 92 (one of the five down-selected alloys) and two heats of 316L were selected in this task to study the effect of aging at 350°C for 12.5–12.7 kh on microstructure and mechanical properties. The aging time is approximately corresponding to 5 dpa neutron irradiation, which can be served as a reference for the 5-dpa-irradiated samples of the alloys to help understand the independent neutron damage influence on microstructure and mechanical properties. Optical microscopy and scanning electron microscopy were used for microstructural characterization. Hardness, tensile, Charpy impact toughness, and fracture toughness in the ductile regime of the aged samples were examined. The aging of Grade 92 led to the formation of many Laves phase in sizes of ~100–200 nm and resulted in some reduction in hardness and yield/ultimate tensile strength with some increases in uniform and total plastic elongations, which may have helped the enhancement of Charpy impact toughness, e.g., ~4 J increase in upper-shelf energy and 20.5°C reduction in ductile-brittle transition temperature compared with the unaged condition. The fracture toughness of the aged Grade 92 showed decent toughness of ~303 MPa√m (K Jq ) with ~87 tearing modulus at 22°C, which reduced to ~241 MPa√m (~20% reduction) with ~75 tearing modulus at 300°C. The two heats of 316L are differentiated by their amounts of δ-ferrite, i.e., ~1 vol% in heat T1103 and ~4 vol% in heat N5B8. The two heats of 316L were subjected to 15% cold work (CW) as this condition is often used in nuclear reactors to help trapping radiation-induced defects and thus postpone the steady state swelling stage. The aging did not result in any noticeable microstructure changes, except for possible segregations at grain boundaries that need to be further investigated. The aging resulted in slight reduction in hardness of 316L-T1103 and slight increase in hardness of 316L-N5B8, which is consistent with their tensile testing results. The 15%CW might have introduced some inhomogeneity, resulting in large standard deviations in hardness, which were reduced after the aging. The aged 316L followed the same trend as the unaged condition for the strength and elongation results from the tensile testing. Minimum elongations appeared within ~300–600°C, above which the elongations seem to increase. Unlike the negligible or minor changes in microstructure, hardness and tensile results of the two heats of 316L, their fracture toughness showed noticeable difference. The aged 316L-T1103 showed good toughness of ~350 MPa√m with ~80 tearing modulus at 22°C, which reduced to ~271 MPa√m (~23% reduction) with ~83 tearing modulus at 300°C. In contrast, the aged 316L-N5B8 showed lower toughness of ~244 MPa√m with ~53 tearing modulus at 22°C, which reduced to ~180 MPa√m (~26% reduction) with ~31 tearing modulus at 300°C. The preliminary results indicate that the presence of high volume of δ-ferrite would noticeable impair fracture toughness although it may not influence hardness and tensile properties.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Highly deformable Mg–Al–Ca alloy with Al 2 Ca precipitates

Magnesium (Mg) is the lightest structural metal. However, the poor formability of Mg alloys to great extent limits their applications in making structural parts. Formability is strongly correlated to both high tensile elongation and large work hardening capacity. In this work, we report a new Mg-Al-Ca alloy in which a majority of deformable Al 2 Ca precipitates form while the formation of Laves phases of Mg 17 Al 12 and Mg 2 Ca seems suppressed. Al 2 Ca precipitates imped dislocation motion, leading to large work hardening. Then, Al 2 Ca precipitates deform with dislocations and stacking faults under the enhanced flow stress, which relieve local stress concentration and improve tensile elongation. In addition, solutes Al and Ca suppress twin nucleation while promoting non-basal dislocations in Mg. Our Mg-Al-Ca alloy demonstrates one of the highest combinations of tensile elongation and work hardening capacity among existing Mg alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Machine-learning enabled thermodynamic model for the design of new rare-earth compounds

We employ a descriptor based machine-learning approach to assess the effect of chemical alloying on formation-enthalpy of rare-earth intermetallics. Application of machine-learning approaches in rare-earth intermetallic design have been sparse due to limited availability of reliable datasets. In this work, we developed an ‘in-house’ rare-earth database with more than 600 + compounds, each entry was populated with formation enthalpy and related atomic features using high-throughput density-functional theory (DFT). The SISSO (sure independence screening and sparsifying operator) based machine-learning method with meaningful atomic features was used for training and testing the formation enthalpies of rare earth compounds. The complex lattice function coupled with the machine-learning model was used to explore the effect of transition metal alloying on the energy stability of Ce based cubic Laves phases (MgCu 2 type). The SISSO predictions show good agreement with high-fidelity DFT calculations and X-ray powder diffraction measurements. Our study provides quantitative guidance for compositional considerations within a machine-learning model and discovering new metastable materials. The electronic-structure of Ce-Fe-Cu based compound was also analyzed to get an in-depth understanding of the electronic origin of phase stability. The interpretable analytical models in combination with density-functional theory and experiments provide a fast and reliable design guide for discovering technologically useful materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

On the efficacy of post-build thermomechanical treatments to improve properties of Zirconium fabricated using ultrasonic additive manufacturing

Here, hot-isostatic pressing has been applied to Zirconium plate fabricated using the ultrasonic additive manufacturing (UAM) technique to enhance interfacial bond quality. Specimens heated to 800 C for 1 h at 100 MPa pressure showed grain growth across many prior foil-to-foil interfaces, thereby increasing foil adhesion. In addition to the material softening induced by a loss of Hall-Petch strengthening, premature failure of specimens loaded parallel to the build direction was observed. Premature specimen failure was attributed to the local delamination at prior foil-to-foil boundaries where grain growth was pinned by Ti impurities introduced during the UAM process via the interaction between a Ti-alloy buffer foil and the welded Zr-foils underneath. In addition, the presence of Ti along select foil interfaces resulted in the nucleation and growth of secondary (Zr,Ti)(Fe,Cr) laves phases during higher-temperature thermomechanical processing. Using a combination of micro-scale X-ray computed tomography, fractography, and in-situ digital image correlation, the effect of defects along prior foil-to-foil boundaries was revealed as delamination-assisted plasticity accelerated specimen failure in preferred tensile orientations. These findings underscore the importance of impurity control when optimizing weld quality of higher-strength material systems using ultrasonic welding.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Anisotropic magneto-resistivity and magnetocaloric effect in DyAl 2

Here, in this study, we experimentally and theoretically investigate the correlation between the anisotropic magnetic resistivity and magnetocaloric effect in DyAl 2 single crystals. DyAl 2 crystallizes in the C15 Laves phase structure with cubic symmetry. While some earlier studies revealed that the isothermal entropy change in dialuminides follows a similar trend as the electrical resistivity change as a function of temperature and magnetic field, the correlation between anisotropic behavior of these two physical parameters is yet to be explored to the best of our knowledge. To address this gap, we measured electrical resistivity of DyAl 2 single crystals along two different directions in zero and applied magnetic fields and compared the experimental results with our theoretical model. For the theoretical analysis, we employed a model Hamiltonian in the mean-field approximation, considering the exchange interaction, Zeeman effect, and crystalline electric field associated with the cubic symmetry. Our findings reveal a significant dependence of DyAl 2 resistivity on the direction of the applied magnetic field, in agreement with our theoretical results. These outcomes emphasize the interplay between magnetocaloric effect and magneto-resistivity, underscoring the potential of the magnetocaloric effect as a valuable tool for gaining deeper insights into basic physical properties including electron transport behavior.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Evaluating the bond strength and fracture mechanisms of cold-sprayed zinc coating on AZ91 magnesium substrate via a combined experimental and computational approach

Magnesium (Mg) alloys are ideal candidates for automotive applications due to their high strength to weight ratio, castability, recyclability etc., however, they lack corrosion and oxidation resistance. Solid-state deposition techniques, such as cold spray, have been demonstrated to enhance their corrosion resistance as it relies on the severe plastic deformation of powder particles upon impact with the substrate to form a metallurgical bond with the substrate and within the coating. At cold sprayed interfaces, a heterogeneous microstructure is formed that includes some porosity, oxides and intermetallics which can significantly affect coating performance. Thus, establishing a direct correlation between the interface microstructure and its properties can aid in designing optimal cold spray parameters. In this study, we investigated the microstructure and mechanical properties of a zinc (Zn) coating deposited on a high pressure die cast (HPDC) AZ91 Mg substrate via high resolution scanning transmission electron microscopy, in situ micro-tensile testing, and finite element method (FEM) modeling. Micro-tensile pillars fabricated using the plasma focused ion beam (PFIB) successfully isolates the coating-substrate interface within the gauge length. The average bond strength of Zn-Mg interface was determined to be ∼140 MPa with failure occurring partially at the interface and mostly into the coatings. A detailed microstructural characterization revealed evidence of a strong metallurgical bonding at the Zn-Mg interface and formation of the C14 MgZn 2 laves phase interlayer resulting in a mixed mode of fracture during the micro-tensile experiments. FEM modeling reveals the stress distribution along the interfaces and suggests that a MgZn 2 layer thickness between 200–400 nm is optimum to increase the bond strength and minimize the triaxiality. Such a site-specific interfacial analysis with correlative computational modeling provides crucial insight into the overall performance of cold spray interfaces.

Bond strength↗
DOE OSTI2022

Compatibility of Fe-Cr-Al and Fe-Cr-Al-Mo oxide dispersion strengthened steels with static liquid sodium at 700 °C

We report the corrosion behavior and tensile properties of oxide dispersion strengthened (ODS) FeCr, FeCrAl, FeCrAlMo steels and 316H stainless steel were evaluated after 1000 h at 700 °C in static sodium with and without an oxygen getter (Zr foil). Without Zr foil to getter the dissolved oxygen in the liquid sodium, combined oxidation (formation of Cr, Fe-rich or Al-rich oxides) and dissolution of the studied materials was observed. For the ODS FeCr, Cr- and Fe-rich oxide formation and dissolution induced Cr depletion in the underlying alloy and led to the formation of laves phases that were observed to be detrimental to the room temperature tensile properties. For ODS FeCrAlMo and FeCrAl Al-rich oxide formation and dissolution resulted in Al depletion in the underlying alloys but did not impact tensile properties at room temperature. For 316H temperature induced sensitization combined with oxidation decreased room temperature tensile properties. With Zr foil added as oxygen getter, roughened surfaces and Al depletion profiles suggested the dissolution of ODS FeCr and FeCrAl into the liquid sodium while limited dissolution was observed for ODS FeCrAlMo and 316H. For the 316H and ODS FeCrAlMo steels, precipitates were formed at the grain boundaries after exposure. Tensile properties of ODS FeCr, FeCrAl and FeCrAlMo were not affected by the 1000 h corrosion exposure with Zr foil added to the sodium but for 316H temperature-induced grain boundary sensitization negatively affected the tensile properties.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compatibility of Zircaloy-4 in eutectic PbSn and PbBiSn liquid metals

Here, a novel nuclear fuel concept has been proposed, consisting of UO₂ particles suspended in a liquid metal alloy. To evaluate its feasibility, the compatibility of Zircaloy-4 cladding with candidate eutectic PbSn and PbBiSn alloys—as well as with pure Pb, Bi, and Sn—was investigated through 1000-hour exposures at 400 °C and 600 °C. Severe degradation of the Zircaloy-4 specimens was observed in eutectic PbSn at 600 °C, whereas oxidation and oxygen diffusion were evident after exposure at 400 °C. At 600 °C, the formation of Zr₃Fe precipitates at the oxide–alloy interface was identified in specimens exposed to Pb and PbBiSn. Thermodynamic analysis suggested that the observed intermetallic formation resulted from the destabilization of Laves phases due to oxygen ingress at elevated temperatures.

Bismuth↗
DOE OSTI2025

Effect of homogenization heat treatment on the evolution of carbonitrides in powder bed fusion processed INCONEL 718

Inconel 718 fabricated using laser powder-bed fusion, contains precipitates in the as-built condition that can be coarsened by high-temperature heat treatments. In this study, two homogenization heat treatment regimens were applied to discern the impact of heat treatment conditions on the growth of complex M(C, N) carbonitrides. In the first heat treatment, the samples underwent heat treatment between 1050 °C and 1200 °C for 0.5 h. In the second heat treatment, the samples were held at a constant temperature of 1150 °C, with varied holding times from 0.5 h to 8 h. Heat treatments dissolved the unstable Laves phase, but the carbonitrides persisted in the structure regardless of temperature and duration. Changes in the compositions, lattice parameters, and sizes of M(C, N) carbonitrides were measured using transmission electron microscopy and high-energy synchrotron X-ray diffraction. The results show an Nb enrichment at carbonitrides while Nb loss at the matrix with increased homogenization temperature. The findings suggest the optimum heat treatment conditions to achieve a homogeneous structure and controlled carbonitride size are between 1000 and 1050 °C for up to 2 h.

IN178↗
DOE OSTI2020

Microstructure-based prediction of thermal aging strength reduction factors for grade 91 ferritic-martensitic steel

This study aimed to develop a microstructure-based mechanistic approach to address the long-term thermal aging effect on yield stress and ultimate tensile strength and to provide a physical basis for developing thermal aging factors for G91 for a design life of 60 years. Several heats of G91 steel were examined. Controlled aging experiments were conducted on two heats at temperatures of 550, 600, and 650 °C for times up to ~64,000 h. Specimens were also taken from archived creep-tested specimens of G91 and from a tube removed from the Kingston coal-fired power plant to obtain data that cover a wide range of temperatures and for aging times up to 155,000 h. Thermal aging caused significant subgrain recovery, coarsening of M 23 C 6 carbides at subgrain boundaries and MX carbonitrides within subgrains. The intermetallic Laves phase forms during aging and grows rapidly. The growth rate of the subgrain width and MX mean size during thermal aging were described by kinetic models. Thermal aging results in the reductions in the yield stress and the ultimate tensile strength of G91. The effects of thermal aging on the reductions in yield stress and ultimate tensile strength were well described by the microstructure-strength model that considers three superimposed strengthening mechanisms, namely, sub-boundary strengthening, MX precipitation hardening, and Mo solid solution strengthening. Furthermore, the model was independently validated by the ASME Code values and is being used by the ASME to develop the aging-induced strength reduction factors for G91 steel for a design life of 60 years.

36 MATERIALS SCIENCE↗
DOE OSTI2024

High-temperature lean Cu alloys with Cr-to-Nb atomic ratio of 2

Two Cu-Cr-Nb alloys, denoted as alloy 1 (comprising Cu-0.89 at% Cr-0.42 at% Nb) and alloy 2 (comprising Cu-1.84 at% Cr-0.99 at% Nb), were produced through a series of manufacturing processes including vacuum induction melting, melt spinning, consolidation, brazing, and baking, with both alloys aimed at achieving a nominal Cr-to-Nb atomic ratio of 2. Microstructural characterization using transmission electron microscopy and X-ray diffraction identified the cubic C15 Laves-phase Cr 2 Nb as the dominant precipitate in both alloys, cross-validated by thermodynamic calculations and atomistic simulation-based density functional theory (DFT). Besides cubic C15 Cr 2 Nb, hexagonal C14-phase Cr 2 Nb and α-BiF3 cubic structured Cr 3 Nb were also observed in the alloys, including a coherent interface formed between the Cr 3 Nb precipitate and the Cu matrix. The hardness of the alloys increases, and the electrical conductivity decreases with increasing alloying addition content; two practical equations described the trends. Further DFT simulations revealed that the electrical conductivity (conductance) of the Cu/Cr 2 Nb interface is an order of magnitude higher than the intrinsic Cu high-angle grain boundaries.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Fermi surface topology change on the Kagome superconductor CeRu 2 under pressure

The cubic Laves phase compound CeRu 2 with a Kagome substructure of Ru has been investigated to understand myriad fascinating phenomena resulting from competition among its various physical and geometric features. Such phenomena include flat bands, van Hove singularities, Dirac cones, reentrant superconductivity, magnetism, the Fulde–Ferrell–Larkin–Ovchinnikov state, valence fluctuations, time-irreversible anisotropic s-state superconductivity, etc. Extensive studies have thus been carried out since 1958 when the highly unusual coexistence of superconductivity and ferromagnetism was proposed for the mixed compounds (Ce,Gd)Ru 2 . Activity has accelerated in recent years due to increasing interest in topological states in superconductors. However, there has been little investigation of the mutual influence of these fascinating states. Therefore, we systematically investigated the superconductivity and possible Fermi surface topological change in CeRu 2 via magnetic, resistivity, and structural measurements under pressure up to ~168 GPa. An unusual phase diagram that suggests an intriguing interplay between the compound’s superconducting order and Fermi surface topological order has been constructed. A resurgence in its superconducting transition temperature was observed above 28 GPa. Our experiments have identified a structural transition above 76 GPa and a few tantalizing phase transitions driven by high pressure. Our high-pressure results further suggest that superconductivity and Fermi surface topology in CeRu 2 are strongly intertwined.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Magnesium- and intermetallic alloys-based hydrides for energy storage: modelling, synthesis and properties

Hydrides based on magnesium and intermetallic compounds provide a viable solution to the challenge of energy storage from renewable sources, thanks to their ability to absorb and desorb hydrogen in a reversible way with a proper tuning of pressure and temperature conditions. Therefore, they are expected to play an important role in the clean energy transition and in the deployment of hydrogen as an efficient energy vector. This review, by experts of Task 40 ‘Energy Storage and Conversion based on Hydrogen’ of the Hydrogen Technology Collaboration Programme of the International Energy Agency, reports on the latest activities of the working group ‘Magnesium- and Intermetallic alloys-based Hydrides for Energy Storage’. The following topics are covered by the review: multiscale modelling of hydrides and hydrogen sorption mechanisms; synthesis and processing techniques; catalysts for hydrogen sorption in Mg; Mg-based nanostructures and new compounds; hydrides based on intermetallic TiFe alloys, high entropy alloys, Laves phases, and Pd-containing alloys. Finally, an outlook is presented on current worldwide investments and future research directions for hydrogen-based energy storage.

Energy storage↗
DOE OSTI2020

Theoretical Correlation of Elemental Distribution of Nd and Pr in Ce-Fe-B Microstructure With Hard Magnetic Properties

Relatively resource-rich but property inferior-Ce-Fe-B magnet can be improved by partial replacement of Ce by Nd and/or Pr. In addition to the amount of Nd/Pr, their distribution profile in microstructure plays an important role. From our first principles density functional theory (DFT) calculation, the substitution energy of Ce by Pr/Nd is negative in Ce 2 Fe 14 B (2:14:1) while that for laves phase, CeFe 2 is positive, implying that Nd/Pr stabilize 2:14:1 and suppress the formation of the CeFe 2 phase. Further, micromagnetic simulation indicates that homogenized distribution of Nd/Pr improves squareness of demagnetization curve, while core (Ce-rich)-shell (Nd/Pr-rich) 2:14:1 grain structure enhances coercivity. Magnetic properties of Ce-Fe-B can be optimized by manipulating distribution profile of chemical element in microstructure based on their subtle difference in thermodynamic property, which is an effective pathway to design optimized chemical composition and processing route for high-performance magnet.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Magnetic properties of Lutetium and Yttrium doped Ce 2 Fe 14 B magnets

The increasing demand for Nd-Dy and Sm-Co based permanent magnets is exacerbating the current critical materials shortage, therefore improving and optimizing current candidate critical element free permanent magnets is necessary to develop future clean energy technologies. In this work, we aim to increase the thermal stability and magnetic performance of Ce 2 Fe 14 B based permanent magnets through the substitution of Ce ions with noncritical rare earth elements Lu and Y. The substitution of Lu (x=0; 0.05; 0.1; 0.15) for Ce ions in (LuxCe 2-x )Fe 14 B was unsuccessful, likely due to disparities in ionic size and valencies, and failed to exhibit improved thermal stability or magnetic performance. In contrast, Y substitution for Ce ions in (Y x Ce 2-x )Fe14B (x= 0.1; 0.2; 0.3; 0.4; 0.5) alloys was successful. Notably, these alloys demonstrated enhanced thermal stability, as evidenced by an increase in the Curie temperature, reaching a peak of 443 K at x= 0.5. Y substitution also helped to suppress the CeFe2 Laves phase. Without loss of the anisotropy field Y substitution increased the saturation magnetization, MS, peaking at MS = 125 emu/g for a Y concentration of x= 0:4, demonstrating (Y 0.4 Ce 1.6 )Fe 14 B as a potential critical element free permanent magnet with an energy product as high as 29 MGOe. This work is advantageous in developing low cost high performance permanent magnets with reduced or little to no critical rare earth elements.

Rai, Binod K.↗