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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Effect of Entropic Constraints on the Thermodynamics of Molecular Adsorption in Nano‐Porous Materials

Abstract Gas separation is a critical industrial process that consumes a significant amount of energy due to the widely used techniques that are currently employed. Adsorptive materials—such as metal–organic frameworks (MOFs)—show promise as an energy‐efficient alternative. Of particular current interest are novel, temperature‐dependent separation processes in MOFs, such as the recently reported separation of ternary isomeric hydrocarbon mixtures within one and the same material. However, the mechanisms of these highly desirable separations remain poorly understood. Herein, through a combination of ab initio simulations and statistical mechanics, it is shown that the temperature dependence is the result of a constraint on the guest molecule's entropic degrees of freedom when loaded into the MOF, caused by the fortuitous tight fitting of the guest inside the pore. While the framework applies to all molecular adsorption in porous media, it is essential for the description of large molecules in small pores, which is demonstrated here using the separation of C6 isomers in Ca(H 2 tcpb) as a test case. The developed framework and analysis not only reveal the reason why separation occurs but also predict the temperatures at which it takes place, thus opening the door to newly designed MOFs with tailor‐made precision.

Chemistry↗
DOE OSTI2025

Energy filtering–induced ultrahigh thermoelectric power factors in Ni 3 Ge

Traditional thermoelectric materials rely on low thermal conductivity to enhance their efficiency but suffer from inherently limited power factors. Innovative pathways to optimize electronic transport are thus crucial. Here, we achieve ultrahigh power factors in Ni 3 Ge-based systems through an unconventional thermoelectric materials design principle. When overlapping flat and dispersive bands are engineered to the Fermi level, charge carriers can undergo intense interband scattering, yielding an energy filtering effect similar to what has long been predicted in certain nanostructured materials. Via a multistep DFT-based screening method developed here, we find a family of L1 2 -ordered binary compounds with ultrahigh power factors up to 11 mW m −1 K −2 near room temperature, which are driven by an intrinsic phonon-mediated energy filtering mechanism. Our comprehensive experimental and theoretical study of these intriguing materials paves the way for understanding and designing high-performance scattering-tuned metallic thermoelectrics.

Science & Technology - Other Topics↗
NASA NTRSDate not supplied

Fluid-Thermal-Structural Interactions Induced by an Asymmetric Shock-Wave/Boundary-Layer Interaction in a Mach-6 Compression Corner

An experimental study is conducted of the fluid-thermal-structural interaction of a clamped compliant panel exposed to a three dimensional shock-wave/boundary-layer interaction (SWBLI) induced by a Mach-6 compression ramp with a spanwise nonuniform incoming boundary layer. The nonuniform boundary layer was produced by placing trips on one side of the upstream flat plate, resulting in largely turbulent flow on the tripped side and transitional flow on the untripped side. Measurements of the flowfield confirmed that the tripped boundary layer contained elevated levels of unsteadiness, and the SWBLI was observed to vary from attached to fully separated as the ramp angle was increased from 10◦ to 38◦; the separation region on the tripped side of the panel was noticeably smaller, showing the elevated turbulence levels of the tripped-side flow to remain relatively localized rather than diffusing across the whole model. Full-field, time-resolved panel deformations were measured using high-speed photogrammetry and the vibrational response at each compression angle was characterized. Although the measured modes conformed largely to those from classical clamped-plate theory, some skewing of the mode shapes was observed. IR thermography highlighted regions of the compliant region where elevated temperatures were likely to promote thermal softening effects to the transient panel response. The quasi-static deformation and stress field was used to characterize the internal stress factor of each mode and showed a meaningful relationship between transient panel response and stress contained within each mode: modes with antinodes lying in high-stress areas of the plate tended to exhibit increases in vibrational frequency and decreases in vibrational power, whereas the opposite was true for modes with antinodes in low-stress areas.

Spectral Proper Orthogonal Decomposition↗
NASA NTRS2026

Development and Experimental Validation of a Path-Dependent Spin Forming Finite Element Model

Spin forming is an advanced manufacturing process widely used in the aerospace and defense sectors to produce lightweight, high-strength cylindrical components with tight dimensional tolerances. This study explores the applicability of the path-dependent Mechanical Threshold Stress (MTS) constitutive model by simulating the evolution of geometry, machining forces, and plastic deformation during the spin forming of a 10-mm thick 6061-O aluminum cylinder. While numerical modeling of spin forming has advanced substantially over the past decade, systematic verification and experimental validation of material models remain limited, particularly in predicting through-thickness process evolution. The MTS model, incorporating a Voce hardening rule, is employed for its ability to represent cyclic loading, rapidly varying temperature fields, and strain rates characteristic of spin forming. Numerical convergence analysis indicates discretization uncertainties between 0.3% and 9.2% for key quantities of interest. Experimental validation demonstrates that the MTS model, when implemented with a verified mesh, accurately reproduces both elastic and plastic behavior of 6061-O aluminum, predicting peak roller loads within 11–18% of measurements, geometric tolerances within 3%, and plastic strain distributions within 10% of experimental values. Collectively, these results establish a validated computational framework for predictive spin-forming simulations with quantified confidence, providing a foundation for extension to other alloys, geometries, and forming conditions.

Spin forming↗
DOE OSTI1975

Nuclear Safety [Vol. 16, No. 1, January-February 1975]

Nuclear Safety covers significant developments in the field of nuclear safety. The scope is limited to topics relevant to the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, safety considerations in regard to the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: 1 AEC Working Paper on Population Density Around Nuclear Power-Plant Sites Adapted by J. Ft. Buchanan, 8 Water-Reactor Safety-Research Information Meeting by Wm. B. Cottrell, D. O. Hobson, and G. D. Whitman; ACCIDENT ANALYSIS: 29 Burnout in Boiling Heat Transfer. Part I: Pool-Boiling Systems by A. E. Bergles; PLANT SAFETY FEATURES: 43 Radionuclide Behavior During Normal Operation of Liquid-Metal-Cooled Fast Breeder Reactors. Part 1: Production by C. A. Erdman and A. B. Reynolds; CONSEQUENCES OF EFFLUENT RELEASE: 60 The Control, Monitoring, and Reporting of Radioactivity in Effluents. Part 1: AEC-Owned Facilities by M. B. Biles and F. E. Coffman, 71 The Control, Monitoring, and Reporting of Radioactivity in Effluents. Part 2: AEC-Licensed Facilities by L. B. Higginbotham and J. T. Collins; OPERATING EXPERIENCES: 76 Incident at the Lucens Reactor by J. M. Miller, 79 IAEA Symposium on Experience from Operating and Fueling of Nuclear Power Reactors by William A. Pryor, 87 Recent Occurrences at Nuclear Reactors and Their Causes Compiled by William R. Casto, 98 Summary of Operating U. S. Power Reactors as of Nov. 1. 1974, 101 Selected Safety-Related Occurrences Reported in September and October 1974 Compiled by William R. Casto; CURRENT EVENTS: 104 General Administrative Activities Compiled by Wm. B. Cottrell, 110 Action on Power-Reactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 119 Action on Nonreactor Projects Undergoing Regulatory Review or Consideration Compiled by Wm. B. Cottrell, 121 Proposed Rule Changes as of Oct. 31, 1974; MISCELLANY: 97 ASTM—Euratom Symposium on Radiation Dosimetry: Developments and Standardization (Announcement), 118 Workshops on In-Pile Filter Testing (Announcement), 119 IAEA Symposium on Radiological Impacts from Releases from Nuclear Facilities into Aquatic Environments (Announcement).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2026

Trajectory-independent speed limits for controlled open quantum systems

Existing quantum speed limits for controlled open quantum systems depend on the specified trajectory. For example, lower bounds on quantum annealing times in the presence of dissipation depend explicitly on the chosen annealing schedule. Recently, schedule-independent speed limits have been derived for annealing in the closed quantum system setting [L. P. García-Pintos et al ., SciPost Phys. 18 , 159 (2025)]. In this work, we generalize these results to open quantum systems, deriving schedule-independent lower bounds for quantum annealing times in systems described by a Lindblad master equation. We analyze the interplay between coherent control and dissipation in single- and two-qubit examples, demonstrating that the derived lower bounds capture key scaling behavior with respect to the strength of the dissipator. Finally, we apply the bound to thermal state preparation and show that the bound matches the expected asymptotic behavior for an Ising model in the high-temperature limit.

open quantum systems & decoherence↗
DOE OSTI2024

Method and apparatus for providing thermal wear leveling

Exemplary embodiments provide thermal wear spreading among a plurality of thermal die regions in an integrated circuit or among dies by using die region wear-out data that represents a cumulative amount of time each of a number of thermal die regions in one or more dies has spent at a particular temperature level. In one example, die region wear-out data is stored in persistent memory and is accrued over a life of each respective thermal region so that a long term monitoring of temperature levels in the various die regions is used to spread thermal wear among the thermal die regions. In one example, spreading thermal wear is done by controlling task execution such as thread execution among one or more processing cores, dies and/or data access operations for a memory.

Roberts, David A.↗
DOE OSTI1994

Nuclear Safety [Vol. 35, No. 1, January-June 1994]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. GENERAL SAFETY CONSIDERATIONS: THE CHERNOBYL ACCIDENT: 1 Chernobyl Accident Management Actions, A. R Sich 25 The IAEA-ASSET Approach to Avoiding Accidents is to Recognize the Precursors to Prevent Incidents, F. Reisch; ACCIDENT ANALYSIS: 36 A Review of the Available Information on the Triggering Stage of a Steam Explosion, D. F. Fletcher; 58 Analysis and Modeling of Flow-Blockage-Induced Steam Explosion Events in the High-Flux Isotope Reactor, R. P. Taleyarkhan, V. Georgevich, C. W. Nestor, U. Gat, B. L. Lepard, D. H. Cook, J. Freels, S. J. Chang, C. Luttrell, R. C. Gwaltney, and J. Kirkpatrick; 74 An Analysis of Disassembling the Radial Reflector of a Thermionic Space Nuclear Reactor Power System, M. S. El-Genk and D. V. Paramonov; CONTROL AND INSTRUMENTATION: 86 Standards for High-Integrity Software, D. R. Wallace, D. R. Kuhn, L M. Ippolito, and L. Beltracchi; DESIGN FEATURES: 98 Adoption of New Design Features for the Next Generation Nuclear Power Reactors, L. S. Tong; 114 Review of Nuclear Piping Seismic Design Requirements, G. C. Slagis and S. E. Moore; ENVIRONMENTAL EFFECTS: 128 PC-Based Probabilistic Safety Assessment Study for a Geological Waste Repository Placed in a Bedded Salt Formation, S. A. Khan; OPERATING EXPERIENCES: 142 Managing Aging in Nuclear Power Plants: Insights from NRC’s Maintenance Team Inspection Reports, A. Fresco and M. Subudhi; 150 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 153 Selected Safety-Related Events, Compiled by G. A. Murphy; RECENT DEVELOPMENTS: 158 Reports, Standards, and Safety Guides, D. S. Queener; 168 Proposed Rule Changes as of Dec. 31, 1993; ANNOUNCEMENTS: 177 Symposium on Radioactive and Mixed Waste—Risk as a Basis for Waste Classification; 177 1995 Incineration Conference 178 Ninth Power Plant Dynamics Control and Testing Symposium; 174 The Authors

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2024

The dynamical origins of the dark comets and a proposed evolutionary track

So-called ‘dark comets’ are small, morphologically inactive near-Earth objects (NEOs) that exhibit nongravitational accelerations inconsistent with radiative effects. These objects exhibit short rotational periods (minutes to hours), where measured. We find that the strengths required to prevent catastrophic disintegration are consistent with those measured in cometary nuclei and expected in rubble pile objects. We hypothesize that these dark comets are the end result of a rotational fragmentation cascade, which is consistent with their measured physical properties. We calculate the predicted size-frequency distribution for objects evolving under this model. Using dynamical simulations, we further demonstrate that the majority of these bodies originated from the 𝜈6 resonance, implying the existence of volatiles in the current inner main belt. Moreover, one of the dark comets, (523599) 2003 RM, likely originated from the outer main belt, although a JFC origin is also plausible. These results provide strong evidence that volatiles from a reservoir in the inner main belt are present in the near-Earth environment.

Aster G Taylor↗
DOE OSTI2023

Electrolyte-Induced Restructuring of Acid-Stable Oxygen Evolution Catalysts

Crystalline metal oxide catalysts operating under oxygen evolution reaction (OER) conditions invariably restructure, resulting in active sites with hydroxo/oxo species in an amorphous environment. An increase in the population of terminal hydroxo/oxo species (i.e., edge sites) facilitates proton-coupled electron-transfer (PCET) kinetics for oxygen generation and thus improves catalyst competency. While amorphous films benefit from a greater density of active sites, they suffer from diminished charge transport as compared to that of extended crystalline lattices. Managing this amorphous–crystalline dichotomy is essential when designing OER catalysts, which we highlight with the examination of electrodeposited PbO x materials, which historically are very poor OER catalysts. Along these lines, the presence of phosphate during PbO x electrodeposition truncates the growth of an extended lattice owing to its strong bonding to oxide surfaces to afford an amorphous catalyst film (A-PbO x ) with significant charge-transfer resistance (138 ± 42 Ω) and poor OER kinetics (420 ± 105 mV dec –1 Tafel slope). Conversely, electrodeposition of Pb 2+ in the presence of less coordinating electrolytes such as nitrate affords crystalline β-PbO2 with improved charge-transfer resistance (42.6 ± 1.1 Ω), though still poor OER kinetics (134 ± 36 mV dec –1 Tafel slope). By operating amorphous A-PbOx in less coordinating electrolytes, however, a new partially crystalline material can be generated (μc-PbO x ) with further reduced charge-transfer resistance (33.0 ± 1.4 Ω) and improved OER kinetics (70 ± 15 mV dec –1 Tafel slope). The enhanced OER activity of μc-PbO x is the result of coupling the high edge-site population of an amorphous PbOx phase with crystalline-like charge transport properties. Finally, the ability to use an electrolyte to induce OER activity in an inactive amorphous form of PbO x highlights the benefits of optimizing the amorphous–crystalline phase compositions in the design of active OER catalysts.

catalysts↗
NASA NTRS1992

Development and application of a 3-D geometry/mass model for LDEF satellite ionizing radiation assessments

A computer model of the three dimensional geometry and material distributions for the LDEF spacecraft, experiment trays, and, for selected trays, the components of experiments within a tray was developed for use in ionizing radiation assessments. The model is being applied to provide 3-D shielding distributions around radiation dosimeters to aid in data interpretation, particularly in assessing the directional properties of the radiation exposure. Also, the model has been interfaced with radiation transport codes for 3-D dosimetry response predictions and for calculations related to determining the accuracy of trapped proton and cosmic ray environment models. The methodology is described used in developing the 3-D LDEF model and the level of detail incorporated. Currently, the trays modeled in detail are F2, F8, and H12 and H3. Applications of the model which are discussed include the 3-D shielding distributions around various dosimeters, the influence of shielding on dosimetry responses, and comparisons of dose predictions based on the present 3-D model vs those from 1-D geometry model approximations used in initial estimates.

B. L. Colborn↗
DOE OSTI1994

Nuclear Safety [Vol. 35, No. 1, January-June 1994]

Nuclear Safety is a review journal that covers significant developments in the field of nuclear safety. Its scope includes the analysis and control of hazards associated with nuclear energy, operations involving fissionable materials, and the products of nuclear fission and their effects on the environment. Primary emphasis is on safety in reactor design, construction, and operation; however, the safety aspects of the entire fuel cycle, including fuel fabrication, spent-fuel processing, nuclear waste disposal, handling of radioisotopes, and environmental effects of these operations, are also treated. Table of Contents for this issue follows. THE CHERNOBYL ACCIDENT: 1 Chernobyl Accident Management Actions, A. R Sich; GENERAL SAFETY CONSIDERATIONS: 25 The IAEA-ASSET Approach to Avoiding Accidents is to Recognize the Precursors to Prevent Incidents, F. Reisch; ACCIDENT ANALYSIS: 36 A Review of the Available Information on the Triggering Stage of a Steam Explosion, D. F. Fletcher; 58 Analysis and Modeling of Flow-Blockage-Induced Steam Explosion Events in the High-Flux Isotope Reactor, R. P. Taleyarkhan, V. Georgevich, C. W. Nestor, U. Gat, B. L. Lepard, D. H. Cook, J. Freels, S. J. Chang, C. Luttrell, R. C. Gwaltney, and J. Kirkpatrick; 74 An Analysis of Disassembling the Radial Reflector of a Thermionic Space Nuclear Reactor Power System, M. S. El-Genk and D. V. Paramonov; CONTROL AND INSTRUMENTATION: 86 Standards for High-Integrity Software, D. R. Wallace, D. R. Kuhn, L M. Ippolito, and L. Beltracchi; DESIGN FEATURES: 98 Adoption of New Design Features for the Next Generation Nuclear Power Reactors, L. S. Tong; 114 Review of Nuclear Piping Seismic Design Requirements, G. C. Slagis and S. E. Moore; ENVIRONMENTAL EFFECTS: 128 PC-Based Probabilistic Safety Assessment Study for a Geological Waste Repository Placed in a Bedded Salt Formation, S. A. Khan; OPERATING EXPERIENCES: 142 Managing Aging in Nuclear Power Plants: Insights from NRC’s Maintenance Team Inspection Reports, A. Fresco and M. Subudhi; 150 Reactor Shutdown Experience, Compiled by J. W. Cletcher; 153 Selected Safety-Related Events, Compiled by G. A. Murphy; RECENT DEVELOPMENTS: 158 Reports, Standards, and Safety Guides, D. S. Queener; 168 Proposed Rule Changes as of Dec. 31, 1993; ANNOUNCEMENTS: 177 Symposium on Radioactive and Mixed Waste—Risk as a Basis for Waste Classification; 177 1995 Incineration Conference 178 Ninth Power Plant Dynamics Control and Testing Symposium; 174 The Authors

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1992

LDEF experiment M0003 meteoroid and debris survey

A survey of the meteoroid and space debris impacts on LDEF experiment M0003 was performed. The purpose was to document impact phenomenology and to obtain impact crater data for comparison to current debris and micrometeoroid models. The survey consists of photomicrographs of significant impacts in a variety of material types, accurate measurements of impact crater coordinates and dimensions for selected experiment surfaces and data basing of the crater data for reduction, manipulation, and comparison models. Large area surfaces which were studied include the experiment power and data system sunshields, environment exposure control canister sunshields, and the M0003 signal conditioning unit covers. Crater diameters down to 25 microns were measured and catalogued. Both leading and trailing edge surfaces were studied and compared. The results shows the different response of materials to hypervelocity impacts. Comparison of the data to curves derived from the Kessler debris model and the Cour-Palais micrometeoroid model indicates a marked tendency for overprediction of small impacts and underprediction of large impacts with there being better agreement for the medium sized impacts. Representative impact data is presented.

M. J. Meshishnek↗
DOE OSTI2026

Polymer coatings on zirconia microspheres via rotating flow fluid dynamics

Conventional tristructural isotropic (TRISO) coatings for nuclear fuels require multi-step and expensive formation processes; any breakage of the coatings may lead to fission species release. Polymer derived ceramic (PDC) coatings can be a suitable alternative to address these issues. In this study, allylhydridopolycarbosilane (SMP-10) coatings were created on yttria stabilized zirconia (YSZ) microspheres using a Rotating Flow Fluid Dynamics (RFFD) coating method. The effects of curing temperature, rotation speed, and coating cycle/time on the coating were analyzed. Surface functionalization of YSZ microspheres with NaOH resulted in good adhesion between the polymer precursor and the YSZ kernel particles. Spectroscopy analysis revealed complete curing of SMP-10 coated YSZ at 160 °C. Rotation speed and coating time significantly affect the coating characteristics. After 3 cycles at lower rotation speed (50 rpm) for 10 min each, the coating obtained was uniform and homogeneous. In comparison, the coating showed almost 10 times less eccentricity at a high rotation speed of 300 rpm. Compared with the coatings prepared at 300 rpm condition, the coatings have higher sphericity and lower eccentricity at 50 rpm. Overall, this study provides a novel and effective route for fabricating and curing SMP-10 precursor coatings on YSZ microspheres.

Ravi, Nivetha [University of Alabama, Birmingham]↗
NASA NTRS1994

Analysis of the Erosion of Cubic Centered and Face Centered Metallic Materials [Analyse de L'erosion de Matereaux Metalliques de Structures Cubiques Centree et Face Centree]

A generalized law of erosion, in nondimensional form, is proposed. The aforementioned explicitly gives an account of the nature and the microstructure of the material impacted, the angle of impact of the particles, and their hardness. The erosion behavior of various steels, pig iron, and cast iron is examined as well as the behavior of new ordered intermetallic materials, Fe-25% Al-(Zr, Cr, B). The concern of such alloys in an erosion-corrosion environment is shown. --- Une loi généralisée d'usure par érosion, sous forme non dimensionnelle, est proposée. Celle-ci rend compte explicitement de la nature et de la microstructure du matériau impacté, de l'angle d'impact des particules, de leur acuité at de leur durete. Le comportement à l'érosion de divers aciers et fontes est examiné ainsi que la tenue de nouveaux matériaux intermétalliques ordonnés Fe-25% Al - (Zr, Cr, B). L'interet de tels alliages dans des environnements agressifs du type érosion-corrosion est montré. Mots clés: usure, érosion, modèle, matériaux métalliques, intermétalliques Fe-Al.

A Magnée↗
NASA NTRS2011

Exploring the Model Design Space for Battery Health Management

Battery Health Management (BHM) is a core enabling technology for the success and widespread adoption of the emerging electric vehicles of today. Although battery chemistries have been studied in detail in literature, an accurate run-time battery life prediction algorithm has eluded us. Current reliability-based techniques are insufficient to manage the use of such batteries when they are an active power source with frequently varying loads in uncertain environments. The amount of usable charge of a battery for a given discharge profile is not only dependent on the starting state-of-charge (SOC), but also other factors like battery health and the discharge or load profile imposed. This paper presents a Particle Filter (PF) based BHM framework with plug-and-play modules for battery models and uncertainty management. The batteries are modeled at three different levels of granularity with associated uncertainty distributions, encoding the basic electrochemical processes of a Lithium-polymer battery. The effects of different choices in the model design space are explored in the context of prediction performance in an electric unmanned aerial vehicle (UAV) application with emulated flight profiles.

Saha, Bhaskar↗
NASA NTRSDate not supplied

Aerothermal Shape Optimization of Actively-Cooled Battery Packs Using Conjugate Heat Transfer

Thermal management for battery is important for electric aircraft because battery temperature is critically important to vehicle safety, and it also has direct impact on the efficiency of the battery system. Because ambient air is a readily available resource for aircraft, this paper considers an active cooling concept with forced convection of ambient air through the battery pack. Conjugate heat transfer analysis is used to solve the coupled aero-thermal problem, which consists of a finite-volume computational fluid dynamics solver for the fluid domain, and a conduction heat transfer solver for the solid domain. A mixed Neumann and Dirichlet boundary condition is developed for the fluid-solid interface, which allows the solid domain to completely submerge in the fluid domain. A gradient-based optimization method is adopted, and the discrete adjoint approach implemented in DAFoam is used to efficiently compute the gradients. The aero-thermal coupling for primal analysis and gradient computation is handled using the OpenMDAO-based MPhys framework. A constant heat source is prescribed for the battery cells, and the battery shape (design variable) is optimized to minimize cooling pump power and battery weight (composite objective function) while keeping the battery temperature below a threshold (constraint). The optimized design achieves a 44.6% and 1.5% reduction in the cooling pump power and battery weight, respectively, and the maximal temperature constraint is satisfied. This work has the potential to reduce battery-pack weight, improve performance, and reduce the weight of thermal management systems for electric vertical take-off and landing aircraft.

heat transfer↗
DOE OSTI2026

Achieving uniaxial magnetic anisotropy in Ce2⁢Fe17⁢N3 through Co- and Sm-substitution

Th2⁢Zn17−type structure-based permanent magnets, such as Sm2⁢Fe17⁢N3, offer strong potential as alternatives to neodymium magnets (NdFeB), but their practical use is limited by phase stability and the scarcity of Sm. Ce-based counterparts, particularly Ce2⁢Fe17⁢N3, are attractive low-cost candidates, yet their intrinsic planar magnetic anisotropy restricts permanent-magnet performance. Here, we induce uniaxial magnetic anisotropy in Ce2⁢Fe17⁢N3 through two approaches: (i) Co substitution on the Fe sublattice and (ii) partial substitution of Ce with Sm. Combined density functional theory and experimental results show that both strategies modify the 3⁢𝑑–4⁢𝑓 interactions and band filling, yielding magnetization values up to ∼1.2T and magnetocrystalline anisotropy energies exceeding 1MJ/m3 for Co-alloyed compositions, with significantly larger anisotropy achieved upon Sm substitution. In addition, the Sm-substituted Ce2⁢Fe17⁢N3 samples exhibit enhanced high-temperature stability compared to Sm2⁢Fe17⁢N3. These findings demonstrate that Ce2⁢Fe17⁢N3-based alloys can deliver magnetic performance suitable for permanent-magnet applications while reducing cost and reliance on critical rare-earth elements, and they provide practical design guidelines for rare-earth-lean magnets for energy and industrial applications.

Pokhrel, Nabaraj [ORNL] (ORCID:0000000328283076)↗