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Previous reports have shown how a battery model was developed using porous electrode theory. Since then the model has been upgraded and expanded. These upgrades include oxygen reation and positive electrode intercalation and proton diffusion. The effects of additional details of the solid state physics of the nickel electrode will be reported here.
Abstract Reducing carbon dioxide (CO 2 ) emissions urgently requires the large-scale deployment of carbon-capture technologies. These technologies must separate CO 2 from various sources and deliver it to different sinks 1,2 . The quest for optimal solutions for specific source–sink pairs is a complex, multi-objective challenge involving multiple stakeholders and depends on social, economic and regional contexts. Currently, research follows a sequential approach: chemists focus on materials design 3 and engineers on optimizing processes 4,5 , which are then operated at a scale that impacts the economy and the environment. Assessing these impacts, such as the greenhouse gas emissions over the plant’s lifetime, is typically one of the final steps 6 . Here we introduce the PrISMa (Process-Informed design of tailor-made Sorbent Materials) platform, which integrates materials, process design, techno-economics and life-cycle assessment. We compare more than 60 case studies capturing CO 2 from various sources in 5 global regions using different technologies. The platform simultaneously informs various stakeholders about the cost-effectiveness of technologies, process configurations and locations, reveals the molecular characteristics of the top-performing sorbents, and provides insights on environmental impacts, co-benefits and trade-offs. By uniting stakeholders at an early research stage, PrISMa accelerates carbon-capture technology development during this critical period as we aim for a net-zero world.
The vast, high-dimensional composition space of high-entropy oxides (HEOs) offers exceptional opportunities for functional materials discovery, yet it also poses a fundamental challenge: the rational and efficient prediction of stable, synthesizable compositions and the corresponding structure–property relationships. Despite growing interest, the field still lacks broadly applicable, physically grounded descriptors capable of navigating various large chemical spaces. Here, we introduce a Mixed Enthalpy–Entropy Descriptor (MEED) that enables rapid, first-principles–based prediction of HEOs synthesizability across diverse chemistries. Using MEED, we perform high-throughput screening of two distinct HEO families: rocksalt oxides and perovskite oxides. The predicted top candidates in each family were experimentally validated. MEED reveals unifying thermodynamic and structural principles governing stability across both chemical compositions and polymorphs, providing mechanistic insight into the formation of high-entropy phases. This work significantly broadens the accessible chemical design space for HEOs and establishes a data-efficient framework for accelerating the discovery of next-generation functional materials.
Silicon nitride turbine components are under intensive development by AlliedSignal to enable a new generation of higher power density auxiliary power systems. In order to be viable in the intended applications, silicon nitride turbine airfoils must be designed for survival in aggressive oxidizing combustion gas environments. Erosive and corrosive damage to ceramic airfoils from ingested sand and sea salt must be avoided. Recent engine test experience demonstrated that NT154 silicon nitride turbine vanes have exceptional resistance to sand erosion, relative to superalloys used in production engines. Similarly, NT154 silicon nitride has excellent resistance to oxidation in the temperature range of interest - up to 1400 C. Hot corrosion attack of superalloy gas turbine components is well documented. While hot corrosion from ingested sea salt will attack silicon nitride substantially less than the superalloys being replaced in initial engine applications, this degradation has the potential to limit component lives in advanced engine applications. Hot corrosion adversely affects the strength of silicon nitride in the 850 to 1300 C range. Since unacceptable reductions in strength must be rapidly identified and avoided, AlliedSignal and the NASA Lewis Research Center have pioneered the development of an environmental life prediction model for silicon nitride turbine components. Strength retention in flexure specimens following 1 to 3300 hour exposures to high temperature oxidation and hot corrosion has been measured and used to calibrate the life prediction model. Predicted component life is dependent upon engine design (stress, temperature, pressure, fuel/air ratio, gas velocity, and inlet air filtration), mission usage (fuel sulfur content, location (salt in air), and times at duty cycle power points), and material parameters. Preliminary analyses indicate that the hot corrosion resistance of NT154 silicon nitride is adequate for AlliedSignal's initial engine applications. Protective coatings and/or inlet air filtration may be required to achieve required ceramic component lives in more aggressive environments.
The paper presents a detailed theoretical analysis of the process of gas absorption to a thin liquid film adjacent to a horizontal rotating disk. The film is formed by the impingement of a controlled liquid jet at the center of the disk and subsequent radial spreading of liquid along the disk. The chemical reaction between the gas and the liquid film can be expressed as a zero-order homogeneous reaction. The process was modeled by establishing equations for the conservation of mass, momentum, and species concentration and solving them analytically. A scaling analysis was used to determine dominant transport processes. Appropriate boundary conditions were used to solve these equations to develop expressions for the local concentration of gas across the thickness of the film and distributions of film height, bulk concentration, and Sherwood number along the radius of the disk. The partial differential equation for species concentration was solved using the separation of variables technique along with the Duhamel's theorem and the final analytical solution was expressed using confluent hypergeometric functions. Tables for eigenvalues and eigenfunctions are presented for a number of reaction rate constants. A parametric study was performed using Reynolds number, Ekman number, and dimensionless reaction rate as parameters. At all radial locations, Sherwood number increased with Reynolds number (flow rate) as well as Ekman number (rate of rotation). The enhancement of mass transfer due to chemical reaction was found to be small when compared to the case of no reaction (pure absorption), but the enhancement factor was very significant when compared to pure absorption in a stagnant liquid film. The zero-order reaction processes considered in the present investigation included the absorption of oxygen in aqueous alkaline solutions of sodiumdithionite and rhodium complex catalyzed carbonylation of methanol. Present analytical results were compared to previous theoretical results for limiting conditions, and were found to have very good agreement.
Additively manufactured (AM) metals offer the potential for customizable, cost-effective components, but qualification and certification are crucial. Key to this process is understanding pore dynamics under stress, typically analyzed using micro-computed tomography. This study introduces laboratory-scale “betatron” x-rays from laser wakefield acceleration as a high-throughput alternative for x-ray tomography of advanced materials, such as AM AlSi10Mg alloys. Coupled with 3D finite element modeling, this method provides detailed insights into stress-porosity interactions. The approach delivers high-resolution scans, revealing that pore shape and local triaxiality significantly influence fracture dynamics, supporting advanced material characterization. This work also demonstrates the potential and versatility of laser-betatron x-ray μCT for generating large datasets to accelerate our understanding of the stochastic, process-specific nature of pore formation in AM alloys.
Martian Moons eXploration (MMX) is a sample return mission from the Martian moon Phobos. The MMX spacecraft is scheduled for launch in 2026 and return to Earth in 2031. The primary science objective of MMX is to reveal the origin of the Martian moons, thereby advancing the understanding of planetary system formation and material transport in the solar system, as well as to observe processes affecting the circumplanetary and surface environments of Mars. The returned sample will be transported to the curation facility at ISAS/JAXA, and the subsequent curation and sample analysis activity will be conducted. As a sample return mission, MMX requires strict contamination control to prevent the intrusion of terrestrial materials.
After aluminum-clad spent nuclear fuel (ASNF) is removed from the reactor, it is initially stored in spent fuel pools, which are specially designed water-filled basins that provide temporary cooling to reduce the temperature of the fuel assemblies and provide radiation shielding. ASNF continues to generate heat due to the radioactive decay of elements within the fuel, which persists for many years post-shutdown as the residual radioactive products decay into more stable elements. During the wet storage period, an oxyhydroxide layer composed of boehmite/bayerite forms on the surfaces of the aluminum cladding from exposure to water in the pools. Road-ready packaging for long-term disposition of the ASNF involves dry storage in helium backfilled DOE standard canisters (DSCs). When the ASNF is removed from water storage and dried, most of the water is removed, but some physisorbed and chemisorbed water remains in the oxyhydroxide layers. This residual water can produce hydrogen when exposed to radiation from the ASNF during dry storage. Predicting hydrogen accumulation over time in the DSCs is critical for long-term storage considerations. Previous modeling efforts have developed coupled computational fluid dynamics (CFD)-chemical models to simulate temperature, pressure, and gas phase concentrations within the DSCs. These models use the thermal field predicted by CFD as input to a radiolysis model for the gas phase and the surface oxyhydroxide layer chemistry. Given the long storage period of the DSCs and the impracticality of long-term experiments, a simulation-based approach is necessary to assess chemical evolution within the canisters. This study advances the development of a modeling framework designed to simulate the chemical evolution of spent fuel canisters. Both thermal and radiation-driven reactions are considered, with radiation kinetics quantified using G-values. Sensitivity analysis identifies key parameters influencing species composition. Reaction pathway diagrams offer insight into dominant species formation routes, enabling more effective comparisons between model predictions and experimental observations, particularly regarding the production of hydrogen. Results show that the model predicts significant hydrogen gas production with minimal oxygen generation, primarily due to hydrogen formation via boehmite pathways. These findings underscore the importance of accurately characterizing surface-bound species and radiolysis kinetics. A deeper understanding of these mechanisms is critical for evaluating the long-term safety of nuclear waste storage.
The arrival of the Nanoracks Airlock to the International Space Station (ISS) has provided the ISS program the capability to dispose of common trash items. The concept of operations involved the crew bagging up those items into a trash bag and then utilizing the robotic arm and the airlock to jettison the trash bag. Because of the unknown thermal vacuum stability of some of the items, a molecular contamination concern was raised by the ISS program as the trash is exposed to vacuum upon the evacuation of air from the airlock and the robotic arm moving the airlock to its jettison location. In order to characterize the representative outgassing rates for ISS trash, thermal vacuum testing was performed at White Sands Test Facility. Trash was sorted into a “lower” outgassing bag and a “mixed” bag. The “mixed” trash bag contained more items that were suspected to be not vacuum stable. Load cells were chosen as the primary means for measuring mass loss. A sharp decay in the outgassing rate was observed in the first 30 minutes followed by a slower decay. As expected, the “mixed” bag lost more mass. While Quartz Crystal Microbalances (QCMs) are often utilized to measure long term outgassing rates and the sticking coefficients of contaminants at different operating temperatures for vacuum stable materials, these measurements proved difficult due to the amount and the inclusion of materials with suspect thermal vacuum stability. Because of high rates of material outgassing, the facility was unable to maintain the CQCM temperature setpoint of 80 K QCMs.. The QCMs operating at the warmer temperatures also saturated on occasion due to high levels of condensed matter. Though testing was able to confirm high risk of outgassing contamination for the program, true sticking coefficients could not be determined, available measurements are provided herein.
Abstract Metallic materials under high stress often exhibit deformation localization, manifesting as slip banding. Over seven decades ago, Frank and Read introduced the well-known model of dislocation multiplication at a source, explaining slip band formation. Here, we reveal two distinct types of slip bands (confined and extended) in compressed CrCoNi alloys through multi-scale testing and modeling from microscopic to atomic scales. The confined slip band, characterized by a thin glide zone, arises from the conventional process of repetitive full dislocation emissions at Frank–Read source. Contrary to the classical model, the extended band stems from slip-induced deactivation of dislocation sources, followed by consequent generation of new sources on adjacent planes, leading to rapid band thickening. Our findings provide insights into atomic-scale collective dislocation motion and microscopic deformation instability in advanced structural materials.
Context.Pulsars are detected over the whole electromagnetic spectrum, from radio wavelengths up to very high energies, in the GeV-TeV range. While the radio emission site for young pulsars is well constrained to occur at altitudes about several percent of the light-cylinder radius andγ-ray emission is believed to be produced in the striped wind, outside the light cylinder, the non-thermal X-ray production site remains unknown. Aims.The aim of this Letter is to localize the non-thermal X-ray emission region based on a multi-wavelength pulse profile fitting for PSR J2229+6114, which stands as a particularly good candidate given its high X-ray brightness. Methods.Based on the geometry deduced from the joint radio andγ-ray pulse profiles, we fixed the magnetic axis inclination angle and the line-of-sight (LoS) inclination angle. However, we left the region of X-ray emission unlocalized, setting it somewhere between the surface and the light cylinder. We localized this region and its extension by fitting the X-ray pulse profile as observed by the NICER,NuSTAR, and RXTE telescopes in the ranges of 2–7 keV, 3–10 keV, and 9.4–22.4 keV, respectively. Results.We constrained the non-thermal X-ray emission to arise from altitudes between 0.2 r L and 0.55 r L wherer L is the light-cylinder radius. The magnetic obliquity is approximatelyα ≈ 45° −50° and the LoS inclination angle isζ ≈ 32° −48°. Conclusions.This Letter is among the first works to offer a tight constraint on the location of non-thermal X-ray emission from pulsars. We plan to apply this procedure to several other promising candidates to confirm this new result.
The Department of Energy’s Advanced Sensors and Instrumentation program seeks to develop and qualify advanced sensors for the nuclear industry. Reliable high temperature and high radiation sensors for detection and characterization of structural flaws in pipes, vessels, and structurally critical components is a weakness for both conventional light water reactors with coolant T-hot approaching 350oC, and for advanced reactors with T-hot temperatures in excess of 500 to 800oC. Magnetostrictive Electromagnetic Acoustic Transducers using a cold spray cobalt coating have been proposed as a sensor design that can withstand these kinds of temperatures and radiation levels to serve as online sensors to detect flaws before cracks, pits, or erosion/corrosion flaws progress to through-wall failures. This report tests cold spray cobalt as part of a magnetostrictive EMAT for high temperature service. Cobalt is known to have strong magnetostrictive properties however the effect of cold spray application is not well studied. This program was surprised to discover that cold sprayed cobalt exhibited little or no magnetostrictive behavior until it was thermally annealed. Following annealing to 650oC however, cold spray cobalt did exhibit a magnetostrictive response. Work to date prior to this milestone report publication showed that magnetostrictive EMAT was successfully tested to 400oC with an alnico permanent magnet. The program plans to extend testing with an electromagnet to higher temperatures. This follow-on work will be reported under subsequent publications or as a revision to this report.
This paper presents a techno-economic evaluation of the proposed 600 MW, 8-hour Craig – Hayden pumped storage hydropower project using the U.S. Department of Energy’s Pumped Storage Hydropower Valuation Tool. The analysis integrates plant technical characteristics, regional grid conditions, and market-based operating assumptions to quantify stacked value streams from energy arbitrage, capacity, ancillary services, transmission congestion relief, and reliability. Both price taker and price influencer frameworks are applied to examine the impact of market participation and system interactions on lifecycle economic performance using Benefit - Cost Analysis and Multi - Criteria Decision Analysis. The results show that the price taker approach provides higher revenue estimates based on exogenous price signals, while the price influencer approach captures production cost savings, renewable curtailment reduction, and market price formation, yielding more conservative but system-representative outcomes. The study demonstrates the strategic value of long-duration PSH for enhancing operational flexibility, resource adequacy, and grid reliability in a high-renewable Western Interconnection.
The Maritime Nuclear Application Group (MNAG) is a working group convened by the National Reactor Innovation Center at Idaho National Laboratory (INL), the American Bureau of Shipping, and Morgan, Lewis, and Bockius LLP. This report documents an MNAG examination of considerations relevant to implementing nuclear technology in commercial maritime applications. In general, two types of use case are examined: maritime nuclear power plants and nuclear reactors used on board shipping vessels for propulsion and other ship needs. The report finds that there may be economic benefits related to maritime nuclear technologies, including the flexible deployment of maritime nuclear reactors, which would allow them to complement land-based nuclear projects, and operational differences for nuclear cargo ships that may lead to an overall increase in revenue. High-level analyses in this report show that, based on general small modular reactor and microreactor cost estimates developed by INL, maritime nuclear reactors may be economically competitive for electricity production in remote regions and for use in the propulsion of large cargo ships. Besides economic viability, public acceptance will be key to implementing maritime nuclear technologies. The report discusses the public’s current perception of nuclear technologies. Engaging with the public will be important to improving this perception. The report discusses some key benefits and risks associated with maritime nuclear technologies. Benefits include the creation of jobs, the production of reliable energy, and the potential to improve air quality. Risks that concern the public are the potential for radioactive releases during operation and decommissioning, as well as those related to waste management. Communicating the benefits and the risks of maritime nuclear technologies will be essential to improving public perception.
This project addresses two critical and intertwined challenges in fusion energy, namely the shortage of a broadly trained scientific workforce and the lack of scalable manufacturing solutions for plasma-facing components (PFCs). Through a collaboration among Florida International University (FIU), Miami Dade College (MDC), and Purdue University, the project established structured, reproducible educational and research pathways that recruit and advance students from institutions historically outside the fusion energy enterprise, building the human capital that this field urgently needs. The project integrates the complementary research strengths of FIU and Purdue to investigate flash sintering as a transformative processing route for tungsten-based PFCs. Unlike conventional sintering approaches, flash sintering offers rapid densification at significantly reduced thermal budgets, making it a compelling candidate for fabricating complex tungsten geometries that must withstand extreme plasma-facing environments. Systematic experimental and modeling efforts will elucidate the fundamental mechanisms governing microstructure evolution, grain boundary chemistry, and thermomechanical response during flash sintering — knowledge that is presently lacking but essential for translating this technology into reliable manufacturing practice. The convergence of workforce development and cutting-edge manufacturing research positions this project to deliver measurable, durable impact: a pipeline of fusion-ready researchers cultivated through expanded institutional partnerships, and a validated materials processing framework that accelerates domestic readiness for next-generation fusion reactor construction.
Shape memory alloys (SMA) have been identified for use in spacecraft components as replacement for conventional deployment mechanisms. They may be used in thermal management components such as radiators to create self-deploying radiators. One SMA, NiTi, has also been developed for additive manufacturing processes. Heat pipes are a common way to create highly effective and lightweight spaceflight radiators, and heat pipes can also be made from NiTi and related alloys. The wick is the critical element of a functioning heat pipe, and recent progress over the past years has led to the development of additively manufactured heat pipe wicks in various materials. The combination of these efforts is the focus of this project: creating an additively manufactured, shape memory alloy self-deploying heat pipe radiator. This paper will focus on the experimental characterization of these additively manufactured NiTi heat pipes. The heat pipe coupons were additively manufactured by direct metal laser sintering (DMLS), with an integral liquid cooled condenser. Heat is input to the heat pipe via a thin film heater. Thermocouples were spot welded to the heat pipes to measure temperature at several axial locations. The heat pipes were tested with two working fluids: water and ethanol. Ethanol is not an ideal working fluid for heat pipes but is useful in characterizing them because it wets well to a wide variety of surfaces. Water is in general a superior working fluid for heat pipes, but its contact angle and therefore wicking performance strongly depends on the surface chemistry of the surface it is in contact with. A particular measurement of interest in this test is the evaporator to condenser thermal conductance, which will be compared in the full paper to recently published correlations for additively manufactured heat pipes. Experimental results for two straight geometry and one bellows geometry heat pipe will be presented. The bellows geometry is of interest for condenser of the self-deploying radiator design.
Lithium-ion batteries are thermo-electrochemical devices, whereby nearly every facet of their functionality and performance are thermally driven. As a result, it is important to have thermal modeling techniques that effectively capture the intricacies of both the electrochemical nature of the battery and also the complex thermal network that typically results from the design of the battery thermal management system. Here we present a thermal modeling workflow and a set of general assumptions for how to construct a thermal model of a Li-ion battery pack. We use a 14-cell bank of 18650-format Li-ion cells, loosely based on a proposed alternative battery design for Orion, as the example. Although the workflow is performed with Thermal Desktop and related utilities, the focus of this presentation is less about software specific techniques, but rather is focused on the assumptions and conditions that should be used in a model (regardless of the tool used to build the model). Example cases and results will be presented for charge, discharge, and thermal runaway.
The computational search for new stable inorganic compounds is faster than ever, thanks to high-throughput density functional theory (DFT). However, stable compound searches remain highly expensive because of the enormous search space and the cost of DFT calculations. To aid these searches, recommendation engines have been developed. We conduct a systematic comparison of the performance of previously developed recommendation engines, specifically ones based on elemental substitution, data mining, and neural network prediction of formation enthalpy. After identifying ways to improve the recommendation engines, we find the neural network to be superior at recommending stable Heusler compounds. Armed with improved recommendation engines, we identify tens of thousands of compounds that are stable at zero temperature and pressure, now available in the Open Quantum Materials Database. We summarize this diverse pool of compounds, including the elusive mixed anion compounds, and two of their many applications: thermoelectricity and solar thermochemical fuel production.