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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Complete genome sequence of Geobacillus strain Y4.1MC1, a novel CO-utilizing Geobacillus thermoglucosidasius strain isolated from Bath Hot Spring in Yellowstone National Park

Geobacillus thermoglucosidasius Y4.1MC1 was isolated from a boiling spring in the lower geyser basin of Yellowstone National Park. We present this species is of interest because of its metabolic versatility. The genome consists of one circular chromosome of 3,840,330 bp and a circular plasmid of 71,617 bp with an average GC content of 44.01%. The genome is available in the GenBank database (NC_014650.1 and NC_014651.1). In addition to the expected metabolic pathways for sugars and amino acids, the Y4.1MC1 genome codes for two separate carbon monoxide utilization pathways, an aerobic oxidation pathway and an anaerobic reductive acetyl CoA (Wood-Ljungdahl) pathway. This is the first report of a nonanaerobic organism with the Wood-Ljungdahl pathway. Also, this anaerobic pathway permits the strain to utilize H 2 and fix CO 2 present in the hot spring environment. Y4.1MC1 and its related species may play a significant role in carbon capture and sequestration in thermophilic ecosystems and may open up new routes to produce biofuels and chemicals from CO, H 2 , and CO 2 .

09 BIOMASS FUELS↗
DOE OSTI2025

Multi-objective surrogate-assisted calibration of CPFEM models using macroscopic response and in situ EBSD measurements of grain reorientation trajectories

Crystal plasticity finite element method (CPFEM) models are widely used to simulate the deformation behaviour of polycrystalline materials, but their calibration is often limited by their high computational cost and the non-convexity of the optimisation landscape. Here, this study develops a multi-objective surrogate-assisted calibration workflow that couples a multi-objective genetic algorithm (MOGA) with an adaptively trained deep neural network (DNN) surrogate model to efficiently identify CPFEM parameters from experimental data. The workflow is demonstrated on three crystal plasticity (CP) formulations of increasing complexity — Voce hardening (VH), two-coefficient latent hardening (LH2), and six-coefficient latent hardening (LH6) — using in situ electron backscatter diffraction (EBSD) measurements of Alloy 617 under uniaxial tensile loading. The CPFEM models are calibrated against the experimentally observed stress–strain response and reorientation trajectories of eight grains, then validated against eight additional trajectories and overall texture evolution. Across the CP formulations, the macroscopic response was reproduced reliably, while differences emerged in the robustness and accuracy of the grain-scale predictions. Including grain reorientation trajectories in the multi-objective calibration improved texture evolution predictions and filtered out physically inconsistent parameter sets that can arise from calibrating against only the stress–strain data. The workflow also demonstrates good transferability of calibrated parameters from a low- to a high-fidelity microstructural model. These results provide practical guidance for integrating in situ microstructural data into CPFEM through efficient, repeatable, and physically meaningful multi-objective calibration.

Crystal plasticity finite element method↗
DOE OSTI2017

JAK2V617F influences epigenomic changes in myeloproliferative neoplasms

Highlights: • Ectopically expressed JAK2V617F in Ba/F3 cells reduced the binding specificity of pSTAT3- and EZH2-associated targets. • JAK2V617F can induce downstream epigenomic modifications. • The methylation changes in the JAK2-STAT3 target loci were clustered differently from the control and other mutation genes. Negative valine (V) to phenylalanine (F) switch at the Janus kinase (JAK2) 617 codon (V617F) is the dominant driver mutation in patients with myeloproliferative neoplasms (MPNs). JAK2V617F was proved to be sufficient for cell transformation; however, independent mutations might influence the following epigenomic modifications. To assess the JAK2V617F-induced downstream epigenomic changes without interferences, we profiled the epigenomic changes in ectopically expressed JAK2V617F in Ba/F3 cells. Antibodies against phosphorylated signal transducer and activator of transcription 3 (pSTAT3) and enhancer of zeste homolog 2 (EZH2) were used for chromatin-immunoprecipitation sequencing (ChIP-seq) to detect the downstream epigenomic targets in the JAK2–STAT3 signaling pathway. To confirm the JAK2V617F-induced epigenetic changes in vivo, DNA methylation changes in the target loci in patients with MPNs were detected through methylation-specific polymerase chain reaction and were clustered against the changes within controls. We found that ectopically expressed JAK2V617F in Ba/F3 cells reduced the binding specificity; it was associated with cis-regulatory elements and recognized DNA motifs in both pSTAT3-downstream and EZH2-associated targets. Overlapping target loci between the control and JAK2V617F were FOXH1, HOXC9, and SRF) were clustered independently from the control locus (L1TD1) and other mutation genes (HMGA2 and Lin28A) in the analyzed MPN samples. Therefore, JAK2V617F influences target binding in both pSTAT3 and EZH2. Without mutations in epigenetic regulators, JAK2V617F can induce downstream epigenomic modifications. Thus, epigenetic changes in JAK2 downstream targets might be trackable in vivo.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Evaluating and modeling rate sensitivity in advanced reactor structural materials: 316H, Gr. 91, and A617

Advanced reactor systems operate at high temperatures to achieve better thermal efficiency. During transients from lower temperatures to high operating temperatures structural metals transition from rate insensitive behavior to rate dependent behavior. In the rate dependent regime creep and plastic deformation are not separable hence requiring a unified treatment with a viscoplastic model. Several bounding design methods in the ASME Boiler and Pressure Vessel Code, Section III, Division 5, Subsection HB, Subpart B assume a decoupled treatment of creep and plasticity so establishing the boundary of the rate insensitive regimes for advanced reactor structural materials is necessary to set limits for the use of these bounding design methods. In the rate sensitive regime new bounding methods or fully inelastic analysis are required for the design of Division 5 Class A components. During temperature transients these components may operate in both the rate insensitive and rate sensitive regions, requiring computational models that can represent both types of behavior. This work establishes criteria for material rate sensitivity and develops a new composite method for modeling constitutive response in both the rate sensitive and rate insensitive regimes for three Division 5, Class A materials: 316H austenitic stainless steel, Grade 91 ferritic-martensitic steel, and Alloy 617, a nickel-based alloy. Both the criteria and new modeling strategy apply the concept of a normalized activation energy for thermally activated mechanisms developed by Kocks, Mecking, and co-workers. Specifically, this work quantifies the average rate sensitivity of the three materials from an experimental database collected from the literature. Additionally, this work develops rate sensitivity criteria and a complete model for each material that can transition between both deformation regimes and provides several example simulations demonstrating the accuracy of the models and the numerical performance of the composite modeling method.

36 MATERIALS SCIENCE↗
DOE OSTI2020

3Y-TZP Toughened and Oxidation-resistant U 3 Si 2 Composites for Accident Tolerant Fuels

In this work, we report an innovative approach synergizing multiple effects of microstructure control, oxide protection and phase transformation-induced mechanically toughening to develop advanced U 3 Si 2 fuels with state-of-the-art materials properties. 3Y-TZP (3 mol% yttria doped stabilized tetragonal zirconia) additives are incorporated and uniformly distributed into the SPS-densified U 3 Si 2 fuel matrix, enhancing materials fracture toughness up to 4.04 MPa m 1/2 . The 3Y-TZP incorporated U 3 Si 2 composite pellets show significantly improved onset temperature of oxidation above 560 °C, which can be further improved to 617 °C with 3 vol% addition by post-sintering thermal annealing. We report the development of mechanically tough and oxidation-resistant U 3 Si 2 with minimal additive represents a major step forward towards realizing the potential of high density U 3 Si 2 as the leading fuel concept to increase accidence tolerance of nuclear energy systems.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2014

Oxygen exchange reaction kinetics for cerium(IV) oxide at 1000 °C

Bulk oxygen exchange rate kinetics on CeO{sub 2} at 1000 °C were observed to have a first order dependence on the fraction of reaction remaining and to be independent of oxygen partial pressure, total pressure, particle size, and specific surface area. This suggests that the exchange reaction is dominated by an internal chemical reaction that is occurring throughout the bulk of the material, and not at the material surface. Oxygen exchange rates were limited by this internal chemical reaction for all CeO{sub 2} powders studied (15 nm to −325 mesh), and had a rate constant of 1.19×10{sup −2} s{sup −1} with a time to completion of 617 s. These results are similar to the exchange rates observed previously on PuO{sub 2}, suggesting that oxygen exchange on PuO{sub 2} may also be dominated by an internal chemical reaction under similar conditions. This work will help guide future experiments on {sup 238}PuO{sub 2} oxygen exchange reactions. - Graphical abstract: Oxygen exchange kinetics on CeO{sub 2} at 1000 °C are independent of a wide range of experimental conditions and exhibit first-order chemical reaction kinetics. - Highlights: • Stable oxygen exchange rates obtained on a variety of CeO{sub 2} powders at 1000 °C. • Exchange rates are independent of atmospheric composition and specific surface area. • Exchange rates are limited by an internal chemical reaction, not a surface reaction. • CeO{sub 2} exchange rates appear similar to the rates observed on PuO{sub 2} at 1000 °C.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Luminescence properties of Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+}, R{sup +} (R{sup +}=Li{sup +}, Na{sup +}, and K{sup +}) red emission phosphor

A series of Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+}, Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, R{sup +}, and Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+}, R{sup +} (R{sup +}=Li{sup +}, Na{sup +}, and K{sup +}) phosphors are synthesized by solid-state reaction method in air. All phosphors show bright red emissions centered at ∼617 nm upon excitation with UV light of 397 nm. Bi{sup 3+} is a sensitizer for the luminescence of Eu{sup 3+}, and can improve significantly the PL intensity of Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+} phosphor due to energy transfer between Bi{sup 3+} and Eu{sup 3+} ions. The sensitization mechanism is investigated and discussed by energy level diagrams of Bi{sup 3+} and Eu{sup 3+} ions. R{sup +} ion is used as the charge compensator to improve the luminescence intensity of Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+} and Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+} phosphors, and their PL intensities are enhanced in the sequence K{sup +}→Na{sup +}→Li{sup +}. These phosphors can be promising red emitting candidate for white LED with a ∼397 nm near UV chip excitation owing to the high brightness. - Graphical abstract: Energy transfer and charge compensation can enhance PL intensity of phosphors obviously. - Highlights: • Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+} phosphor is synthesized. • Energy transfer between Eu{sup 3+} and Bi{sup 3+} ions benefit PL intensity of Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+} phosphor. • Alkaline metal ions can further improve the PL intensity of Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+} phosphor. • Ca{sub 3}Ti{sub 2}O{sub 7}:Eu{sup 3+}, Bi{sup 3+}, R{sup +} phosphor may be promising red emitting candidate for white LED.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The crystal structures of Ni{sub 3+x}Sn{sub 4}Zn and Ni{sub 6+x}Sn{sub 8}Zn and their structural relations to Ni{sub 3+x}Sn{sub 4}, NiSn and Ni{sub 5−δ}ZnSn{sub 4}

The crystal structures of two new compounds were determined from single-crystal X-ray diffraction measurements: Ni{sub 3+x}Sn{sub 4}Zn, (x~1.35, a=7.110(2) Å, b=4.123(1) Å, c=10.346(3) Å, β=90.23(2)°, space group I2/m, Z=2. R1=0.025, wR2=0.059 for 748 unique reflections, 35 variable parameters) and Ni{sub 6+x}Sn{sub 8}Zn, x~1.35 (a=12.379(3) Å, b=4.095(1) Å, c=12.155(3) Å, β=116.25(3)°, space group C2/m, Z=2. R1=0.026, wR2=0.052 for 1346 unique reflections, 60 variable parameters). In addition, a structural refinement was performed for Ni{sub 3+x}Sn{sub 4}, x~0.13 (a=12.264(3) Å, b=4.066(1) Å, c=5.223(2) Å, β=104.85(3)°, space group C2/m, Z=2. R1=0.019, wR2=0.046 for 617 unique reflections, 29 variable parameters). The three compounds show pronounced similarities among each other as well as to the crystal structures of surrounding binary Ni–Sn and ternary Ni–Sn–Zn compounds. In particular, the two new compounds form a homologous series with Ni{sub 3+x}Sn{sub 4}, x~0.13. They contain “Ni{sub 4}Sn{sub 4}” and “Ni{sub 2}Sn{sub 4}” building blocks which by different interconnection build up the distinct structures. Topological relations with NiSn and Ni{sub 5−δ}Sn{sub 4}Zn, δ~0.25 are evident. - Graphical abstract: Projection of the structure of Ni{sub 6+x}ZnSn{sub 8}, x~1.35 and constituent building blocks. Display Omitted - Highlights: • The crystal structures of Ni{sub 6+x}Sn{sub 8}Zn and Ni{sub 3+x}Sn{sub 4}Zn were determined using single crystal XRD. • Topological relations to Ni–Sn and Ni–Sn–Zn compounds were established and discussed. • Common structural units were identified and their interconnection patterns described.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2012

Effect of the strain-induced melt activation (SIMA) process on the tensile properties of a new developed super high strength aluminum alloy modified by Al-5Ti-1B grain refiner

In this study, the effect of Al-5Ti-1B grain refiners and modified strain-induced melt activation process on an Al-Zn-Mg-Cu alloy was studied. The optimum level of Ti was found to be 0.1 wt.%. The specimens subjected to deformation ratio of 40% (at 300 Degree-Sign C) and various heat treatment times (10-40 min) and temperature (550-600 Degree-Sign C) regimes were characterized in this study. Reheating condition to obtain a fine globular microstructure was optimized. Microstructural examinations were conducted by optical and scanning electron microscopy coupled with an energy dispersive spectrometry. The optimum temperature and time in strain-induced melt activation process are 575 Degree-Sign C and 20 min, respectively. T6 heat treatment including quenching to room temperature and aging at 120 Degree-Sign C for 24 h was employed to reach to the maximum strength. Significant improvements in mechanical properties were obtained with the addition of grain refiner combined with T6 heat treatment. After the T6 heat treatment, the average tensile strength increased from 283 MPa to 587 and 332 MPa to 617 for samples refined with 2 wt.% Al-5Ti-1B before and after strain-induced melt activation process and extrusion process, respectively. Ultimate strength of Ti-refined specimens without SIMA process has a lower value than globular microstructure specimens after SIMA and extrusion process. - Highlights: Black-Right-Pointing-Pointer The effect of Al-5Ti-1B on the aluminum alloy produced by SIMA process was studied. Black-Right-Pointing-Pointer Al-5Ti-1B is an effective in reducing the grain and reagent fine microstructure. Black-Right-Pointing-Pointer Reheating condition to obtain a fine globular microstructure was optimized. Black-Right-Pointing-Pointer The optimum temperature and time in SIMA process are 575 Degree-Sign C and 20 min respectively. Black-Right-Pointing-Pointer UTS of globular structure specimens have a more value than Ti-refined specimens.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Microstructure and photoluminescent properties of Sr{sub 2}SiO{sub 4}:Eu{sup 3+} phosphors with various NH{sub 4}Cl flux concentrations

Graphical abstract: This paper describes effects of NH{sub 4}Cl concentration on microstructural and luminescent characteristics of Sr{sub 2}SiO{sub 4}:Eu{sup 3+} phosphors using microwave assisted sintering at 1200 °C for 1 h. The results showed the improved photoluminescence properties of microwave sintered Sr{sub 2}SiO{sub 4}:Eu{sup 3+} phosphors by adding NH{sub 4}Cl flux. Highlights: ► NH{sub 4}Cl flux improved the luminescence properties of microwave sintered phosphors. ► The particle sizes were enlarged from 1 μm to 10 μm as the NH{sub 4}Cl flux was added. ► The maximum photoluminescence intensity was appeared as adding 1 wt% NH{sub 4}Cl flux. ► The decay times of Sr{sub 2}SiO{sub 4}:Eu{sup 3+} phosphors with NH{sub 4}Cl flux were around 2.47–2.52 ms. -- Abstract: In this paper, effect of NH{sub 4}Cl flux concentrations (0, 1, 2, 3 and 4 wt%) on the crystal structure, morphology and photoluminescent properties of Sr{sub 2}SiO{sub 4}:Eu{sup 3+} phosphors synthesized by a microwave sintering at 1200 °C for 1 h was investigated and discussed. X-ray powder diffraction analysis showed the crystal structure was not affected and the pure Sr{sub 2}SiO{sub 4} phase was formed without second phase or phases of starting materials when adding with the NH{sub 4}Cl flux. The SEM images indicated that increase of the NH{sub 4}Cl flux enlarged the particle size of the phosphor particles. The photo-luminescence results showed the addition of 1 wt% NH{sub 4}Cl flux much improved the emission intensity at λ{sub em} of 617 nm as the excitation spectrum at λ{sub ex} of 395 nm. The decay times of Sr{sub 2}SiO{sub 4}:Eu{sup 3+} phosphors with different NH{sub 4}Cl flux concentrations were obtained around 2.47–2.52 ms.

36 MATERIALS SCIENCE↗
DOE OSTI2014

White light emission and energy transfer in Dy{sup 3+}/Eu{sup 3+} co-doped BaLa{sub 2}WO{sub 7} phosphors

Highlights: • BaLa{sub 2}WO{sub 7}:Dy{sup 3+}, Eu{sup 3+} phosphors were synthesized by solid-state reaction. • Eu{sup 3+} compensated the red emission component of the BaLa{sub 2}WO{sub 7}:Dy{sup 3+} phosphor. • The observed emission lifetimes indicates the energy transfer from Dy{sup 3+} to Eu{sup 3+}. • BaLa{sub 2}WO{sub 7}:Dy{sup 3+}, Eu{sup 3+} are potential phosphors used in n-UV pumped white LEDs. - Abstract: Tunable full color emissive BaLa{sub 1.75−x}WO{sub 7}:0.25Dy{sup 3+}, xEu{sup 3+} phosphors which peaked at 484 nm (blue), 572 nm (yellow), 593 nm (orange), and 617 nm (red) were synthesized by the traditional solid-state reaction method. The as-synthesized phosphors were characterized by X-ray power diffraction, diffused reflectance spectra, photoluminescence decay curves, photoluminescence excitation and emission spectra. The photoluminescence excitation spectra range from 200 to 500 nm, including an O{sup 2−}⟶W{sup 6+} charge transfer band and several 4f–4f transition peaks of Dy{sup 3+} and Eu{sup 3+}. Co-doping with Eu{sup 3+} compensated the red emission component of the BaLa{sub 2}WO{sub 7}:Dy{sup 3+} phosphor. Furthermore, the energy transfer from Dy{sup 3+} to Eu{sup 3+} was confirmed based on the luminescence spectra and decay curves. The intense white light emissions are suggestive exploration for the potential phosphor for optical materials applications used in the ultraviolet excited white light emitting diodes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Thermo-mechanical behavior of hypoeutectic Ni-Y-Zr alloys

Microstructure refinement and optimized alloying can improve metallic alloy performance: stable nanocrystalline (NC) alloys with immiscible second phases, e.g., Cu-Ta, are stronger than unstable NC alloys and their coarse-grained (CG) counterparts, but higher melting point matrices are needed. Hypoeutectic, CG Ni-Y-Zr alloys were produced via arc-melting to explore their potential as high-performance materials. Microstructures were studied to determine phases present, local composition and length scales, while heat treatments allowed investigating microstructural stability. Alloys had a stable, hierarchical microstructure with ~250 nm ultrafine eutectic, ~10 µm dendritic arm spacing and ~1 mm grain size. Hardness and uniaxial compression tests revealed that mechanical properties of Ni-0.5Y-1.8Zr (in wt%) were comparable to Inconel 617 despite the small alloying additions, due to its hierarchical microstructure. Here, uniaxial compression at 600 °C showed that ternary alloys outperformed Ni-Zr and Ni-Y binary alloys in flow stress and hardening rates, which indicates that the Ni 17 Y 2 phase was an effective reinforcement for the eutectic, which supplemented the matrix hardening due to increased solubility of Zr. Results suggest that ternary Ni-Y-Zr alloys hold significant promise for high temperature applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Application of deconvolution to recover frequency-domain multiplexed detector pulses

Multiplexing of radiation detectors reduces the number of readout channels, which in turn reduces the number of digitizer input channels for data acquisition. We recently demonstrated frequency domain multiplexing (FDM) of pulse mode radiation detectors using a resonator that converts the detector signal into a damped sinusoid by convolution. The detectors were given unique “tags” by the oscillation frequency of each resonator. The charge collected and the time-of-arrival of the detector pulse were estimated from the corresponding resonator output in the frequency domain. In this paper, we demonstrate a new method to recover the detector pulse from the damped sinusoidal output by deconvolution. Deconvolution converts the frequency-encoded detector signal back to the original detector pulse. We have developed a new prototype FDM system to multiplex organic scintillators based on convolution and deconvolution. Using the new prototype, the charge collected under the anode pulse can be estimated from the recovered pulse with an uncertainty of about 4.4 keVee (keV electron equivalent). The time-of-arrival can be estimated from the recovered pulse with an uncertainty of about 102 ps. We also used a CeBr3 inorganic scintillator to measure the Cs-137 gamma spectrum using the recovered pulses and found a standard deviation of 13.8 keV at 662 keV compared to a standard deviation of 13.5 keV when the original pulses were used. Coincidence measurements with Na-22 using the deconvolved pulses resulted in a timing uncertainty of 617 ps compared to an uncertainty of 603 ps using the original pulses. Pulse shape discrimination was also performed using Cf-252 source and EJ-309 organic scintillator pulses recovered by deconvolution. In conclusion, a figure of merit value of 1.08 was observed when the recovered pulses were used compared to 1.2 for the original pulses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Topology optimization of an airfoil fin microchannel heat exchanger using artificial intelligence

High-performance microchannel heat exchangers are needed to supply heat for power conversion for nuclear microreactors. An airfoil fin microchannel design, constructed of Alloy 617 with helium as the working fluid, is analyzed and optimized using a design of experiments with artificial intelligence techniques. The use of airfoil fins offers the potential to reduce pressure drop across the heat exchanger, as compared to other types of channel configurations. A framework for topology optimization of airfoil fin printed circuit heat exchangers (PCHEs) has been developed that can be readily extended to different fin sizes and shapes, as well as different inlet and operating conditions, materials of construction, and working fluids. An optimization procedure is developed that employs computational fluid dynamics for a set of design points identified using Latin hypercube sampling. Computational fluid dynamics is used to analyze a simplified two-channel configuration where five design parameters are varied – inlet angle, fin scale, extent of staggering, transverse and longitudinal pitches. Two methods (a 5D polynomial and a regression neural network) are compared for generating surrogate models and the resulting response surface approximation is input to a genetic algorithm that is used to identify a set of optimal parameters. The optimal geometries are found across six channel Reynolds numbers ranging from 1000 to 5000, since inlet conditions affect flow through the heat exchanger. Additionally, a set of optimal designs that maximizes heat transfer and minimizes pressure drop is identified, and a thermal stress analysis is performed on the optimal design. Correlations for the Nusselt number and Darcy friction factor are developed that can be useful for thermal hydraulic analyses using system codes. Thermal stresses are analyzed and a brief discussion of the status of code cases of PCHEs for nuclear applications is given. Testing and thermomechanical modeling is needed to facilitate future code compliance of PCHEs for high pressure and high temperature applications.

42 ENGINEERING↗
DOE OSTI2026

Thermomechanical analysis and modeling of a high-temperature light trapping planar cavity solar receiver

The development of durable particle-based high-temperature solar receivers is critical for advancing concentrating solar-thermal (CST) technologies to enable high-efficiency power generation and industrial process heat. Here, this study presents a computational framework to evaluate the thermomechanical performance of a proposed enclosed light-trapping planar cavity receiver designed for particle-based thermal energy systems. The receiver incorporates absorptive cavities and fluidized particle-bed channels to enhance heat capture and reduce thermal losses. Finite element analysis (FEA) is employed to assess stress, strain, and creep-fatigue behavior under concentrated solar flux using realistic thermal boundary conditions derived from coupled system models and experimental assembly parameters. The analysis investigates the influence of particle-to-wall heat transfer coefficients (HTC) ranging from 800 to 1800 W/m 2 .K on the thermomechanical response of six candidate high-temperature alloys: Alloy 740H, Alloy 282, Alloy 617, 316H, Alloy 230, and 800H. Results show that increasing HTC reduces thermal gradients, leading to lower stresses and strains and extended minimum predicted creep life. While all materials satisfy fatigue life requirements under the investigated conditions, significant differences in creep resistance are observed. Alloy 740H consistently exhibits the longest minimum predicted creep life and the most favorable durability margins, followed by Alloy 282, with the remaining materials showing reduced creep resistance under identical loading. The reported creep lives are conservative lower-bound estimates intended for comparative material evaluation. This framework highlights the critical roles of material selection and geometry optimization in improving mechanical durability and reliability of solar-thermal receivers, forming a foundation for future experimental validation and design optimization.

14 SOLAR ENERGY↗
DOE OSTI2016

Lithium Polysulfide Radical Anions in Ether-Based Solvents

Lithium sulfur batteries have a theoretical specific energy 5 times greater than current lithium ion battery standards, but suffer from the issue of lithium polysulfide dissolution. The reaction mechanisms that underlie the formation of lithium polysulfide reaction intermediates have been studied for over four decades, yet still elude researchers. Polysulfide radical anions formed during the redox processes have become a focal point of fundamental Li–S battery research. The formation of radical species has even been shown to be advantageous to the electrochemical pathways. However, whether polysulfide radical anions can form and be stabilized in common Li–S battery electrolytes that are ether-based is a point of contention in Li–S battery research. The goal of this paper was to examine the presence of radical polysulfide species in ether-based solvents. Lithium polysulfide solutions in tetraethylene glycol dimethyl ether and poly(ethylene oxide) are probed using a combination of ultraviolet–visible (UV–vis) and electron paramagnetic resonance (EPR) spectroscopy. EPR results confirm the presence of radical species in ether-based electrolytes. Finally, comparison of the UV–vis spectra to EPR spectra establishes that the UV–vis absorbance signature for radical species in ether-based solvents occurs at a wavelength of 617 nm, which is consistent with what is observed for high electron pair donor solvents such as dimethylformamide and dimethyl sulfoxide.

25 ENERGY STORAGE↗
DOE OSTI2020

Zincate-Blocking-Functionalized Polysulfone Separators for Secondary Zn–MnO 2 Batteries

Alkaline zinc–manganese dioxide (Zn–MnO 2 ) batteries are well suited for grid storage applications because of their inherently safe, aqueous electrolyte and established materials supply chain, resulting in low production costs. With recent advances in the development of Cu/Bi-stabilized birnessite cathodes capable of the full 2-electron capacity equivalent of MnO 2 (617 mA h/g), there is a need for selective separators that prevent zincate (Zn(OH) 4 ) 2– transport from the anode to the cathode during cycling, as this electrode system fails in the presence of dissolved zinc. In this work, we present the synthesis of N-butylimidazolium-functionalized polysulfone (NBI-PSU)-based separators and evaluate their ability to selectively transport hydroxide over zincate. We then examine their impact on the cycling of high depth of discharge Zn/(Cu/Bi–MnO 2 ) batteries when inserted in between the cathode and anode. Initially, we establish our membranes’ selectivity by performing zincate and hydroxide diffusion tests, showing a marked improvement in zincate-blocking (D Zn (cm 2 /min): 0.17 ± 0.04 × 10 –6 for 50-PSU, our most selective separator vs 2.0 ± 0.8 × 10 –6 for Cellophane 350P00 and 5.7 ± 0.8 × 10 –6 for Celgard 3501), while maintaining similar crossover rates for hydroxide (D OH (cm 2 /min): 9.4 ± 0.1 × 10 –6 for 50-PSU vs 17 ± 0.5 × 10 –6 for Cellophane 350P00 and 6.7 ± 0.6 × 10 –6 for Celgard 3501). We then implement our membranes into cells and observe an improvement in cycle life over control cells containing only the commercial separators (cell lifetime extended from 21 to 79 cycles).

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