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1,537 records · Page 11

Compatibility of Type 304H Stainless Steel in Static Molten FLiBe for Inertial Confinement Fusion Reactors: Role of Impurities and Redox Control

Molten fluoride salts, such as FLiBe (LiF-BeF2), are promising candidates for tritium breeding and heat transfer in fusion reactors, but corrosion of structural materials remains a major challenge. This study investigates the corrosion behavior of austenitic stainless steel 304H in purified and NiF2-containing FLiBe at 500°C and 600°C, focusing on the effects of impurities and redox control. Exposure to purified FLiBe resulted in the concurrent depletion of Cr, Mn, and Fe, with corrosion at 500 °C dominated by the combined oxide formation and elemental dissolution, while at 600°C elemental depletion was predominant. The addition of a controlled NiF2 impurity significantly accelerated corrosion at both temperatures, demonstrating the sensitivity of 304H to the salt redox state. Beryllium additions were effective in mitigating corrosion for both baseline and NiF2-containing FLiBe; minimal depletion of Cr, Mn, and Fe occurred with Be additions as low as 2.5 mg (147 wppm), and no NiBe intermetallics formed at 5 mg (294 wppm), indicating that small Be inventories can provide substantial protection without deleterious phase formation. Thermodynamic equilibrium and coupled thermodynamic-kinetic analyses at the salt-alloy interface suggested low corrosion rates in systems with limited hydrogen fluoride (HF) generation, highlighting the importance of salt redox control. Estimates for a Be addition rate were calculated for the HYLIFE-II fusion reactor that can mitigate corrosion-induced degradation, assuming complete conversion of tritium to tritium fluoride (TF). Overall, 304H shows reasonable compatibility with FLiBe under optimized redox conditions. These results provide quantitative guidance for material selection and salt management in fusion blanket and heat exchanger systems and motivate validation under flowing, nonisothermal, and irradiated conditions.

Pillai, Rishi [ORNL] (ORCID:0000000243688197)

Reduced-order CFD modeling of cryogenic hydrogen isotope extrusion for pellet fueling

This study presents a reduced-order model (ROM) for computational fluid dynamics (CFD) simulations of cryogenic hydrogen isotope extrusions, focusing on protium (H₂) and deuterium (D₂) piston extruders. Using a 2D axisymmetric ROM in ANSYS-Polyflow, significant computational savings were achieved (runtime reduced from 9∼24 h to 3∼5 min), with extrusion force discrepancies between the 2D ROM and 3D models being on the order of 1%. Parametric studies identified optimal cutoff shear rates in the viscosity model (0.01/s for H₂ and 0.001/s for D₂), providing recommendations for future simulations. Finally, a comprehensive comparison of ROM results with experimental data was performed across varying geometries, cryogenic materials, temperatures, extrusion lengths, and piston velocities. Predictions at low extrusion temperatures met the objective of providing quick and efficient solutions with an acceptable extrusion force error of approximately 10% or less, validating the effectiveness of the 2D ROM approach. However, at high temperatures closer to the triple point, extrusion force error grows, which necessitates developing an improved model that accounts for temperature effects, e.g. melting. Nevertheless, the findings still represent a significant improvement in efficiency of CFD modeling of cryogenic hydrogenic extrusion. The ROM framework can also be extended to tritium (T2) and screw extruders, which will ultimately provide a fast and effective tool for optimizing pellet injector design for ITER and future reactor systems.

Fan, Joy [ORNL] (ORCID:0000000229751735)

High‐Performance Rechargeable Lithium‐Chlorine Batteries with ALD Conformal Starburst Porous Graphene Positive Electrodes

Abstract Rechargeable alkali metal‐chlorine batteries are emerging as a promising high‐energy‐density solution. However, they confront significant challenges, including the primary issue stemming from the weak binding affinity of cathode materials for Cl 2 , which leads to a sluggish and inadequate supply of Cl 2 during the redox reactions, resulting in a shortened cycle life and low Coulombic efficiency (CE), particularly when operating at ultrahigh specific capacity outputs. Herein, an Al 2 O 3 ‐skinned heterostructured starburst porous graphene with conformal metasurfaces (Al 2 O 3 @rGO) is reported, crafted from a hierarchical porous starburst graphene arranged in a unique layered structure by the PTFE microemulsion skin effect, leveraging subsequent fluidized bed atomic layer deposition (FBALD) of Al 2 O 3 groups. Al 2 O 3 @rGO features superhydrophilicity, effective adsorption, fast kinetics from stable dynamic respiratory interface, high electrical and thermal conductivity anisotropy, intelligent thermal management and safe operation over a wide temperature range. Consequently, the Li‐Cl 2 @Al 2 O 3 @rGO battery achieves an ultrahigh discharge specific capacity of 5000 mAh g −1 at ≈100% CE, and even delivers stable cycling over 200 cycles with 2000 mAh g −1 at an average CE of 99.8% under low temperature environment of ‐40 °C. The scalable heterostructure approach offers a sustainable perspective of the development of functionalized metamaterials and metasurfaces for next‐generation safe and energy‐dense batteries and broader applications.

Chemistry

Air-Broadened Line Shapes in the 2n3 R Branch of 12ch4 Between 6014 and 6100 cm-1

Complete and accurate information on line shape parameters of 2?3 methane transitions for air broadening as a function of temperature is critical not only for the correct interpretation of the observed atmospheric spectra but also for the development of a reliable theoretical model. For this reason, we obtained a series of high-resolution, high S/N spectra of high-purity 12CH4 and 12CH4 broadened with dry air at temperatures in the 130 to 295 K range using the Bruker IFS 125HR Fourier transform spectrometer at JPL. Two absorption cells were used in the experiment, a White cell with path length of 13 m for room temperature spectra and a 21 m Herriott cella for cold sample spectra. The 15 spectra used in the analysis consisted of 3 low pressure (0.26 to 2.57 Torr) spectra with pure 12CH4 and 12 air-broadened spectra with total sample pressures of 79-805 Torr and volume mixing ratios of methane between 0.23 and 1%. A multispectrum least-squares fitting techniqueb was employed to fit all 15 spectra simultaneously. Preliminary results for select R(J) manifolds will be presented.

V Malathy Devi

Core-Centering of Compound Drops in Capillary Oscillations: Observations on USML-1 Experiments in Space

Using the existing inviscid theories, an attempt is made to explain the centering of the oscillating liquid shell. Experiments on liquid shells and liquid-core compound drops were conducted using acoustic levitation, in a low-gravity environment during a Space Shuttle flight. It was observed that their inner and outer interfaces became concentric when excited into capillary oscillations. Using the existing inviscid theories, and attempt is made to explain the centering of the oscillating liquid shell. It is concluded that viscosity needs to be considered in order to provide a realistic description of the centering process.

T G Wang

Visualizing Crystallization Dynamics and Transformation Pathways of Disordered Rocksalt Oxides During Thermally Activated Sol–Gel Synthesis

Sol–gel synthesis is a wet-chemical processing route for fabricating functional materials with control over composition and microstructure at relatively low temperatures compared to conventional solid-state synthesis. While sol–gel process initiates with intermixed molecular precursors, the early-stage nucleation pathways are insufficiently understood. Here, in this study, the chemical and structural transformation of ion disordered rocksalt (DRX) Li 1.2 Mn 0.4 Ti 0.4 O 2 (LMTO), a promising cathode material for lithium batteries, is studied by multiscale characterizations. In situ heating transmission electron microscopy (TEM) using a liquid cell visualizes and identifies crystallization pathways at the nanoscale. While some regions follow a classical multi-step transition through thermodynamically stable intermediates, others exhibit a kinetic shortcut via a localized amorphous matrix to directly form the DRX structure. Macroscale Fourier transform infrared spectroscopy corroborates the findings and reveals that transition metal ions are more strongly incorporated into the acetate-coordinated network than lithium. Although in situ heating TEM captures diverse local transformation pathways, in situ synchrotron X-ray diffraction indicates that the macroscopic transformation proceeds predominantly through spinel LMTO and lithium titanates toward DRX-LMTO. The findings uncover the spatiotemporal chemical and structural transformations in sol–gel derived DRX-LMTO materials, and call for fine-tuning of such sol–gel chemistries to manipulate the crystallization pathways and achieve target material homogeneity more efficiently.

cathode material

A rigorous framework for an improved Messinger/Myers model of ice accretion under conditions of variable property and unsteady aircraft icing

We analyse the Messinger/Myers model by critically evaluating simplifying assumptions through a rigorous formulation of the rime ice accretion process. We explore the effects of both constant and variable ice density and thermal conductivity, along with the effects of sublimation from the ice surface. The effects of key factors such as droplet impact rate, ambient temperature relative to the freezing temperature and the temperature difference between the ambient air and the airfoil surface are examined. Under these varying conditions, the present rigorous formulation is used to assess the significance of unsteady effects, variable ice properties and sublimation. We observe that the Myers model performs remarkably well in certain icing situations and analyse the reasons for this strong performance. We also show that partially relaxing the model’s assumptions can lead to poorer performance. The Myers model can lead to overprediction of ice surface temperature and correspondingly underprediction of transition time under conditions of relatively weak sublimation and surface cooling. A modified Myers model is presented, which can be used to recover near-perfect results under widely varying icing conditions of relevance. This article is part of the theme issue ‘Heat and mass transfer in frost and ice’.

Science & Technology - Other Topics

Nuclear–Electronic Orbital General Rate Theory: Predicting Hydrogen Kinetic Isotope Effects in the Deep Tunneling Regime

Hydrogen transfer is a critical component of many chemical and biological processes. The ratio of rate constants for hydrogen and deuterium transfer defines the H/D kinetic isotope effect (KIE), which is a powerful tool for elucidating hydrogen transfer mechanisms. Interpretation of experimental H/D KIEs relies on accurate and affordable computational methods. However, due to their light mass, hydrogen and deuterium can undergo tunneling, which is challenging to describe in multidimensional molecular systems. Herein, we introduce the nuclear–electronic orbital general rate theory (NEO-GRT), which enables the efficient prediction of H/D KIEs based on full-dimensional molecular quantum chemistry calculations. The NEO-GRT approach describes the hydrogen transfer rate constant with a general expression that spans the vibrationally adiabatic and nonadiabatic hydrogen tunneling regimes. The input quantities are computed using NEO density functional theory, which treats the transferring hydrogen or deuterium nucleus quantum mechanically on the same level as the electrons. We investigate two intramolecular proton transfer reactions in organic molecules at temperatures down to 50 K to evaluate the performance of NEO-GRT by comparison to transition state theory and ring-polymer instanton theory. The KIEs computed with NEO-GRT agree with those calculated using ring-polymer instanton theory for the full-dimensional molecular systems at the same level of electronic structure theory. This agreement indicates that NEO-GRT captures the deep hydrogen tunneling effects, in contrast to transition state theory, which neglects such effects. Given its relatively low computational cost, NEO-GRT is a promising approach for predicting H/D KIEs in large organic and organometallic systems.

Hydrogen

Heat Capacity and Thermal Relaxation of Bulk Helium Very Near the Lambda Point

In October 1992 a low temperature experiment was flown on the Space Shuttle in low Earth orbit. The objective of the mission was to measure the heat capacity and thermal conductivity of helium very close to the lambda point with the smearing effect of gravity removed. We report preliminary results from the experiment, and compare them with related measurements performed on the ground. The sample was s sphere of helium 3.5 cm in diameter contained within a copper calorimeter of vey high thermal conductivity. The calorimeter was attached to a pair of high resolution paramagnetic salt thermometers with noise levels in the 10 -10 K range and suspended from a high stability thermal isolation system. During the mission we found that the resolution of the thermometers was degraded somewhat due to the impact of charged particles. This effect limited the useful resolution of the measurements to about two nanokelvins from the lambda point. The results reported here are limited to about ten nanokelvins from the transition.

John A Lipa

Validation of the SINDA/FLUINT Code Using Several Analytical Solutions

The Systems Improved Numerical Differencing Analyzer and Fluid Integrator (SINDA/FLUINT) code has often been used to determine the transient and steady-state response of various thermal and fluid flow networks. While this code is an often used design and analysis tool, the validation of this program has been limited to a few simple studies. For the current study, the SINDA/FLUINT code was compared to four different analytical solutions. The thermal analyzer portion of the code (conduction and radiative heat transfer, SINDA portion) was first compared to two separate solutions. The first comparison examined a semi-infinite slab with a periodic surface temperature boundary condition. Next, a small, uniform temperature object (lumped capacitance) was allowed to radiate to a fixed temperature sink. The fluid portion of the code (FLUINT) was also compared to two different analytical solutions. The first study examined a tank filling process by an ideal gas in which there is both control volume work and heat transfer. The final comparison considered the flow in a pipe joining two infinite reservoirs of pressure. The results of all these studies showed that for the situations examined here, the SINDA/FLUINT code was able to match the results of the analytical solutions.

John R Keller

Combustion for future supersonic transport propulsion

Even with it's marginal performance, Concorde has demonstrated that supersonic civil aircraft are a practical proposition. A second generation machine will need sufficiently good performance for a robust operating system that can provide reliable, frequent service with competitive economics. Additionally, the propulsion system must be acceptable environmentally. That is it must create acceptable noise levels around airports and have acceptable emissions throughout its mission including cruise. Whatever devices may be used to improve the acceptability at subsonic flight conditions, the high operating temperatures at cruise can create difficult targets for the operation of the combustion system both mechanically and in the combustion process itself. While the driving force is ever better fuel consumption and weight to achieve economic viability, a future supersonic transport engine will have cycle temperatures limited only by the mechanical integrity of the major components. The environment of the major components in modern gas turbine engines is dominated by the air delivered by the compressor system. Consequently the maximum compression temperature is governed by materials available for the turbine and compressor discs. The continued improvement of the disc material leads to combustion inlet temperatures beyond today's experience and sets difficult targets for combustion system emissions. This is worsened by the requirement being at cruise and therefore maintained for the major part of the mission. Problems such as creep and oxidation of metallic parts are also considered.

B. W. Lowrie

Ka-Band Monopulse Antenna-Pointing Systems Analysis and Simulation

NASA's Deep Space Network (DSN) has been using both 70-m and 34-m reflector antennas to communicate with spacecraft at S-band (2.3 GHz) and X-band (8.45 GHz). To improve the quality of telecommunication and to meet future mission requirements, JPL has been developing 34-m Ka-band (32-GHz) beamwave guide antennas. Presently, antenna pointing operates in either the open-loop mode with blind pointing using navigation predicts or the closed-loop mode with conical scan (conscan). Pointing accuracy under normal conscan operating conditions is in the neighborhood of 5 mdeg. This is acceptable at S- and X-bands, but not enough at Ka-band. Due to the narrow beamwidth at Ka-band, it is important to improve pointing accuracy significantly (approx. 2 mdeg). Monopulse antenna tracking is one scheme being developed to meet the stringent pointing-accuracy requirement at Ka-band. Other advantages of monopulse tracking include low sensitivity to signal amplitude fluctuations as well as single-pulse processing for acquisition and tracking. This article presents system modeling, signal processing, simulation, and implementation of Ka-band monopulse tracking feed for antennas in NASA/DSN ground stations.

V Y Lo

The Aeolus-Earth DWTS Heliophysics Mission

The Aeolus-Earth Mission (DWTS-Helio) is a recently selected NASA Heliophysics investigation that will apply the innovative Doppler Wind Temperature Sounder (DWTS) technique to the Space Atmosphere Interaction Region (SAIR) at ~105-180 km. The technique, invented by Gordley & Marshall (2011), applies the Doppler Scanning with Gas Filter (DSGF) technique using a cryo-cooled MWIR radiometer to view the limb of the atmosphere from LEO (orbital velocity creates the Doppler shifts required by the technique). For this implementation of DWTS, a Nitric Oxide (NO) low pressure gas cell is used. The limb of the atmosphere is observed from a spacecraft at orbital velocity, and as an observed air volume passes through the field of view, this velocity creates a set of Doppler-shifted images. These images are used to create Doppler Integrated Pass (DIP) signals, from which atmospheric temperature and wind profiles are extracted (it may be considered a converse of the successful in-flight calibration of gas cells used for the HALOE instrument). The technique is relative, removing the need for absolute radiances, and the signal-to-noise ratio for this technique is high, resulting in good measurement precision. Different gas cells can be used to create different altitude coverage and may be combined to measure a more continuous altitude range. For example, using a NO cell captures the lower atmosphere from 30-50km as well as the SAIR, while using the 13 isotopologue of CO2 would capture 50-120km. Due to the desired data volume as well as power and thermal considerations, this initial Aeolus-Earth flight will be more suited for a ‘hosted’ payload on an Orbital Maneuvering Vehicle platform instead of the ‘free-flyer’ option originally investigated. Lastly, the technique is sufficiently powerful that a two-channel system could produce full Mars atmosphere data not currently possible.

DWTS

Isotropic negative thermal expansion in ZrW 2 O 8 and HfW 2 O 8 from 1100 to 1275°C

Abstract ZrW 2 O 8 (ZrO 2 •2WO 3 ) and HfW 2 O 8 (HfO 2 •2WO 3 ) have been the focus of thermal expansion studies due to their isotropic negative thermal expansion (NTE) measured previously at temperatures below 775°C. This work presents measurements of these materials at their thermodynamically stable temperature ranges of 1105 and 1257°C for ZrW 2 O 8 and 1105–1276°C for HfW 2 O 8 , where they were characterized with in situ, powder X‐ray diffraction. The linear coefficients of thermal expansion were measured to be −5.52 × 10 −6 and −4.87 × 10 −6 °C −1 for ZrW 2 O 8 and HfW 2 O 8 , respectively. The mechanism leading to this NTE is discussed. Powder samples were synthesized by a solution‐based process called the organic–inorganic steric entrapment method. In situ characterization in air was carried out at the National Synchrotron Light Source II using a hexapole lamp, optical furnace and the Advanced Photon Source using a quadrupole lamp, optical furnace to achieve elevated temperatures.

Materials Science

Development of a High Force Thermal Latch

This paper describes the preliminary development of a high force thermal latch (HFTL). The HFTL has one moving part which is restrained in the latched position by a low melting temperature or fusible metal alloy. When heated the fusible alloy flows to a receiving chamber and in so doing at first releases the tension load in the latch bolt and later releases the bolt itself. The HFTL can be used in place of pyrotechnically activated spacecraft release devices in those instances where the elimination of both pyrotechnic shock-loading and rapid strain-energy release take precedence over the near instantaneous release offered by ordnance initiated devices.

William D Nygren

Development of Electrolytes under Lean Condition in Lithium–Sulfur Batteries

Lithium–sulfur (Li–S) batteries stand out as one of the promising candidates for next-generation electrochemical energy storage technologies. A key requirement to realize high-specific-energy Li–S batteries is to implement low amount of electrolyte, often characterized by the electrolyte/sulfur (E/S) ratio. Low E/S ratio aggravates the known challenges for Li–S batteries and introduces new ones originated from the high concentration of polysulfides in limited electrolyte reservoir. Here, in this review, the connections between the fundamental properties of electrolytes and the electrochemical/chemical reactions in Li–S batteries under lean electrolyte condition are elucidated. The emphasis is on how the solvating properties of the electrolyte affect the fate of polysulfides. Built upon the mechanistic analysis, different strategies to design lean electrolytes to improve the overall process of Li–S reactions and Li anode protection are discussed.

25 ENERGY STORAGE

Thermal Data-driven Model Reduction for Enhanced Battery Health Monitoring

Electric aviation faces a major challenge of avoiding potentially catastrophic consequences of the battery’s thermal runaway while keeping the weight of the battery low. Detection of early warning signals of battery failures requires accurate monitoring of the battery’s health throughout its lifespan. However, identifying the parameters of the battery from field data is notoriously difficult. We investigate this problem within the framework of modeling the temperature dynamics of a Li-ion cell during tests simulating loading in electric aircraft flights. It is found that the parameters of a higher-fidelity physics-based thermal model cannot be identified from the simulated flight data. To resolve this issue, we reduce the higher-fidelity thermal model to a model with fewer parameters. The resulting reduced-order model can predict temperature dynamics accurately and is identifiable throughout the cell’s lifespan which allows using the model’s parameters to monitor the state-of-health of the aging cell and detect anomalies in thermal behavior.

Li ion batteries

NASA 50 amp hour nickel cadmium battery waste heat determination

A process for determining the waste heat generated in a 50-ampere-hour, nickel cadmium battery as a function of the discharge rate is described and results are discussed. The technique involved is essentially calibration of the battery as a heat transfer rate calorimeter. The tests are run at three different levels of battery activity, one at 40-watts of waste heat generated, one at 60, and one at 100. Battery inefficiency ranges from 14 to 18 percent at discharge rates of 284 to 588 watts, respectively and top-of-cell temperatures of 20 C.

Mueller, V. C.