SEARCH · Engineering Papers

Results for “conditional shift”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 955 records · Page 53

All sources NASA NTRS DOE OSTI

DOE OSTI2026

Production and installation of wavelength-shifting reflective light enhancers for the Short-Baseline Near Detector

We report on the design, production, and installation of a wavelength-shifting reflective system on the cathode of the Short-Baseline Near Detector (SBND), a liquid argon time projection chamber located along the Fermilab Booster Neutrino Beam. To increase and homogenize scintillation-light collection, 64 double-sided plates were fabricated from FR4, laminated with specular reflector film and coated with 300 $μ$g/cm$^2$ of tetraphenyl butadiene (TPB) wavelength shifter using controlled physical vapor deposition. The coating uniformity was validated through dedicated measurements of deposited mass and profilometry studies. Because exposure to ambient blue/UV light could degrade the TPB, protective filtering and controlled storage conditions were implemented during handling and installation. The coated plates were assembled between conductive meshes for high-voltage compatibility and installed in situ during detector integration. This system constitutes the largest TPB-coated area deployed in a neutrino detector. It operates in conjunction with SBND's photon detection system, which consists of photomultiplier tubes and X-ARAPUCAs. Early light-collection measurements show high uniformity and light response across the detector, supporting improved triggering, calorimetry, and position reconstruction in SBND.

Acciarri, R. [Fermilab]↗

DOE OSTI2021

Projecting climate change in South America using variable‐resolution Community Earth System Model: An application to Chile

Abstract We introduce variable‐resolution enabled Community Earth System Model (VR‐CESM) results simulating historical and future climate conditions at 28 km over South America and 14 km over the Andes. Three 30‐year simulations are performed: a historic (1985–2014), a near future (2030–2059), and an end‐century (2070–2099) simulation under the RCP8.5 scenario. Historic results compare favourably to several temperature and precipitation reanalysis products, though local biases are present, particularly during austral summer. Future simulations highlight broad warming patterns (+3–6°C by end‐century) and heterogeneous precipitation responses across South America that qualitatively agree with prior modelling efforts. Our results reveal that the interaction between temperature and precipitation changes produce shifts in several Köppen–Geiger climates. Notable changes include the near‐elimination of the Andean Tundra or Alpine climates, a 15% decrease in Tropical Rainforests and a Tropical Savannah expansion of 20%. To provide a regionally focused analysis of projected climate change and to illustrate the benefits of variable resolution modelling, we analyse changes in the magnitude and trend in seasonal and daily temperature and precipitation in Chile. We also examined several metrics [e.g., snow water equivalent (SWE), temperatures on wet days, and days below 0°C] to evaluate potential impacts of climate change on the Chilean cryosphere between the end‐of‐century and historic periods, finding wide‐ranging indications of cryospheric decline. These changes are interpreted through reductions in the timing (1–2.5 months earlier peak SWE) and magnitude (200–1,000 mm SWE decreases) of water stored as snow in the Andes, a 10–30% decrease in number of cool season wet days with temperatures below 1°C, and 50–200 fewer days (annually) with minimum temperatures below 0°C. Our aim in producing a high‐resolution dataset of climate projections from VR‐CESM is to support analyses of climate change throughout South America but especially in vulnerable montane regions and to provide additional results for comparison with previous, ongoing, and upcoming modelling efforts.

variable-resolution global climate models↗

DOE OSTI2022

CO 2 Hydrogenation to Methanol over Inverse ZrO 2 /Cu(111) Catalysts: The Fate of Methoxy under Dry and Wet Conditions

Understanding the surface chemistry of CH 3 O species is essential for the production of methanol by CO 2 hydrogenation over Cu-based heterogeneous catalysts, as it facilitates the rational design of more efficient conversion processes. Recent research has identified inverse ZrO 2 /Cu catalysts as highly active and selective systems for the transformation of CO 2 to methanol with a performance that can be better than that of commercial Cu/ZnO catalysts. Here, we employed synchrotron-based ambient pressure X-ray photoelectron spectroscopy (AP-XPS) and calculations based on density functional theory (DFT) to understand the fate of CH 3 O groups under dry and wet environments. AP-XPS spectra revealed that under CO 2 hydrogenation conditions, formate and methoxy are two key intermediates to produce methanol. Furthermore, there are three different types of reactive sites on the surface: One is active for methoxy adsorption, which is stable and responsible for the methanol synthesis; Another one transforms CO 2 into CO; and a third one is active for CO 2 and methoxy dissociation, leading to C and methane formation. The theoretical calculations indicate that CH 3 OH readily dissociates to CH 3 O species following a highly exothermic (ΔE = -20.99 kcal/mol) and barrierless process. The water produced by the reverse water-gas shift reaction (CO 2 + H 2 → H 2 O + CO) can prevent the decomposition of CH 3 O species. We discovered that by introducing a tiny amount of water vapor (2 × 10 -6 Torr) into the reaction chamber, the energy barrier for the reaction CH 3 O(ads) + H(ads) → CH 3 OH(gas) is dramatically reduced. AP-XPS and computational modelling showed that water is quite capable of extracting adsorbed methoxy to form gaseous methanol. With this in mind, one could boost the methanol selectivity by adding appropriate amounts of water or steam, which is an inexpensive and feasible solution for industrial operations.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Modeling the Effects of Global Change on Ecosystem Processes in a Tropical Rainforest

Ongoing land-use change and climate change in wet tropical forests can potentially drive shifts in tree species composition, representing a change in individual species within a functional group, tropical evergreen trees. The impacts on the global carbon cycle are potentially large, but unclear. We explored the differential effects of species within this functional group, in comparison with the effects of climate change, using the Century model as a research tool. Simulating effects of individual tree species on biome-level biogeochemical cycles constituted a novel application for Century. Background and Objectives: A unique, long-term, replicated field experiment containing five evergreen tree species in monodominant stands under similar environmental conditions in a Costa Rican wet forest provided data for model evaluation. Our objectives were to gain insights about this forest’s biogeochemical cycles and effects of tree species within this functional group, in comparison with climate change. Materials and Methods: We calibrated Century, using long-term meteorological, soil, and plant data from the field-based experiment. In modeling experiments, we evaluated effects on forest biogeochemistry of eight plant traits that were both observed and modeled. Climate-change simulation experiments represented two climate-change aspects observed in this region. Results: Model calibration revealed that unmodeled soil processes would be required to sustain observed P budgets. In species-traits experiments, three separate plant traits (leaf death rate, leaf C:N, and allocation to fine roots) resulted in modeled biomass C stock changes of >50%, compared with a maximum 21% change in the climate-change experiments. Conclusions: Modeled ecosystem properties and processes in Century were sensitive to changes in plant traits and nutrient limitations to productivity. Realistic model output was attainable for some species, but unusual plant traits thwarted predictions for one species. Including more plant traits and soil processes could increase realism, but less-complex models provide an accessible means for exploring plant-soil-atmosphere interactions.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2026

Shifts in Evapotranspiration Components During Heatwaves Alter Surface Cooling

Heatwave events significantly alter ecosystem water and energy balance and are often accompanied by extreme surface temperatures. Understanding how surface temperatures during such events are regulated by soil evaporation (E) and vegetation transpiration (T) remains limited due to challenges in partitioning total evapotranspiration (ET). Here, high-frequency turbulence methods are used to partition observed ET at 32 National Ecological Observatory Network sites across the contiguous United States. Heatwaves were defined as at least three consecutive days with daily maximum air temperature exceeding the site-specific 90th percentile of the 2019–2021 record. Across 268 identified events, the T/ET ratio decreased by 32% ± 16% relative to the non-heatwave baseline of 0.65, with greater reductions at lower biomass sites. The T/ET ratio was typically suppressed below non-heatwave conditions during the early and middle stages of the heatwave (first two-thirds of event duration), but was on average higher than non-heatwave baseline levels during late stages (final third) due to extremely low soil evaporation. Of the studied heatwaves, 71% of these had surface temperatures above 38°C in their late stage; however, heatwaves sustaining higher evaporation fluxes (upper tertile of observed fluxes) during the late stage were associated with relative surface temperature anomalies that were on average 45% lower than those of heatwaves with lower evaporation fluxes (lower tertile). The commensurate surface cooling induced by higher transpiration was only 2% during heatwaves, suggesting that transpiration has a limited ability to mitigate extreme surface temperatures. This study allows for improved prediction of ecosystem feedbacks under extreme thermal stress.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Alterations in soil pH emerge as a key driver of the impact of global change on soil microbial nitrogen cycling: Evidence from a global meta-analysis

Soil nitrogen (N) cycling is critical to the productivity of terrestrial ecosystems. However, the impact of global change factors (GCFs) on the microbial mediators of N cycling pathways has yet to be synthesized, and it also remains unclear whether the response of the abundance of N-cycling genes can predict changes in their corresponding processes. We synthesized 8322 paired observations of soil microorganisms related to N cycling from field experiments in which GCFs (climate change and nutrient addition) were manipulated. We found that the abundance of soil microbes and most N-cycling genes were resistant to elevated CO 2 , experimental warming and water addition/reduction; however, N addition and the combination of N addition with other GCFs significantly increased the abundance of ammonia oxidizer bacteria (amoA-AOB). The results indicated that in steady-state (natural) conditions, the main factors driving the global abundance of soil bacteria, archaea and N-cycling genes varied in terms of the contributions of climatic and edaphic factors. However, upon manipulation of GCFs, the induced change in soil pH was the most essential factor associated with changes in the abundance of soil microbes and N-cycling genes. Notably, the changes in ammonia-oxidizing archaea (amoA-AOA) and amoA-AOB genes, in addition to genes involved in denitrification (nirS and nirK), were significantly correlated with the rates of their corresponding processes, but GCF-induced shifts in the potential nitrification rate (PNR) were explained well by changes in the abundance of the amoA-AOB gene under GCFs. In conclusion, our study highlights how ongoing GCFs impact the abundance of soil microbes and N-cycling genes, which might have a profound impact on terrestrial N cycling. Our field-based results provide new insights into the drivers of the abundance of soil microbes and N-cycling genes.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Modeling of the Coral Microbiome: the Influence of Temperature and Microbial Network

Host-associated microbial communities are shaped by extrinsic and intrinsic factors to the holobiont organism. Environmental factors and microbe-microbe interactions act simultaneously on the microbial community structure, making the microbiome dynamics challenging to predict. The coral microbiome is essential to the health of coral reefs and sensitive to environmental changes. Here, we develop a dynamic model to determine the microbial community structure associated with the surface mucus layer (SML) of corals using temperature as an extrinsic factor and microbial network as an intrinsic factor. The model was validated by comparing the predicted relative abundances of microbial taxa to the relative abundances of microbial taxa from the sample data. The SML microbiome from Pseudodiploria strigosa was collected across reef zones in Bermuda, where inner and outer reefs are exposed to distinct thermal profiles. A shotgun metagenomics approach was used to describe the taxonomic composition and the microbial network of the coral SML microbiome. By simulating the annual temperature fluctuations at each reef zone, the model output is statistically identical to the observed data. The model was further applied to six scenarios that combined different profiles of temperature and microbial network to investigate the influence of each of these two factors on the model accuracy. The SML microbiome was best predicted by model scenarios with the temperature profile that was closest to the local thermal environment, regardless of the microbial network profile. Our model shows that the SML microbiome of P. strigosa in Bermuda is primarily structured by seasonal fluctuations in temperature at a reef scale, while the microbial network is a secondary driver. Coral microbiome dysbiosis (i.e., shifts in the microbial community structure or complete loss of microbial symbionts) caused by environmental changes is a key player in the decline of coral health worldwide. Multiple factors in the water column and the surrounding biological community influence the dynamics of the coral microbiome. However, by including only temperature as an external factor, our model proved to be successful in describing the microbial community associated with the surface mucus layer (SML) of the coral P. strigosa. The dynamic model developed and validated in this study is a potential tool to predict the coral microbiome under different temperature conditions.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Highly efficient La/Ni co-doped strontium titanate catalyst for co-production of propylene and hydrogen from propane in protonic ceramic electrochemical cells

A highly efficient La/Ni co-doped strontium titanate (LSNT) perovskite catalyst is developed and integrated in a protonic ceramic electrochemical cell for co-production of propylene and high-purity hydrogen from commercial propane feedstock. Propane conversion and hydrogen production rate can be effectively enhanced under an applied current due to the electrochemical promotion effect and/or shifted reaction equilibrium induced by rapid separation of hydrogen product. Water vapor in the feed gas could significantly improve the catalyst stability by suppressing the coke formation. The propane conversion could reach up to 53% at 600 °C under a current density of 90 mA cm −2 . The LSNT catalyst also shows excellent tolerance for the sulfur contaminant in commercial propane gas. Finally, the excellent performance of the LSNT catalyst is attributed to the highly active and selective Ni species at the interface with the perovskite substrate, which are formed in situ via reduction-induced exsolution under reaction conditions.

interfacial active sites↗

DOE OSTI2025

Radiative, Hydrologic, and Circulation Responses to Warming in Cess‐Potter Simulations Using the Global 3.25‐km SCREAM

Using the global 3.25-km Simple Cloud Resolving E3SM Atmosphere Model (SCREAM 3 km), a pair of 13-month Cess-Potter simulations are performed to quantify the radiative feedbacks and the hydrologic and circulation responses to warming. Large-scale aspects of SCREAM 3 km's top-of-atmosphere radiative fluxes, precipitation rates, and circulations are in good agreement with observations and reanalysis, with notable differences, including a drier lower free-troposphere in the Tropics, reduced precipitation and humidity over the Tropical West Pacific, and poleward shifted Southern Hemisphere midlatitude jet. In response to warming, SCREAM 3 km predicts a total radiative feedback within the top 15% of the CMIP5 and CMIP6 models, which puts it substantially higher than the feedback reported by other kilometer-scale models. SCREAM 3 km's high radiative feedback stems from a strongly positive shortwave cloud feedback, most prominent over the mid- and high-latitudes. SCREAM 3 km's high precipitation response also puts it among the highest of CMIP models, whereas its circulation response is within the spread of CMIP models. An ensemble of five perturbed initial condition Cess-Potter simulations with a 12 km version of SCREAM (SCREAM 12 km) is performed to characterize uncertainty and resolution sensitivity. It suggests that the uncertainty from analyzing a pair of 1-year simulations is small compared to the inter-model spread in feedbacks and precipitation response. SCREAM 12 km also produces a strong precipitation response to warming but a much lower cloud feedback and total radiative feedback. The results from these experiments suggest that the spread in climate feedbacks will likely persist in the next generation of kilometer-scale models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2025

Challenges and approaches to interpretive modeling of boundary plasma and neutral transport in a closed, pumped divertor

An experimental discharge from the DIII-D tokamak is modeled using the SOLPS-ITER code suite and compared against measurements in the pumped and relatively closed upper divertor. Uncertainties of boundary plasma simulations are identified by attempting to match code inputs to experimental conditions, including iteratively solving transport coefficients to match upstream experimental profiles using varying quantities of core particle flux, different pumping models, and various assumptions of ion thermal transport. Simulated boundary conditions for particle injection at the core interface are shown to be relevant to the plasma solution at the divertor targets, even if upstream transport is modified so that plasma profiles are comparatively similar, although seperatrix density is not held constant. When upstream plasma profiles are matched to experimental measurements by varying diffusive transport coefficients, using either poloidally symmetric or ballooning structure, the model finds a majority of injected energy being transported radially off the computational domain, in conflict with experimental radiated power measurements and heat flux measurements at the divertor target. Imposing a maximum thermal diffusivity or radially shifting the experimental separatrix location of the fitted profiles to increase power conducted to the targets by increasing the upstream electron temperature does not significantly modify this result. Including a thermalizing plenum volume in the simulation domain is shown to maintain the experimental volumetric pumping rate without knowing the neutral energy distribution incident on the pump duct a priori. By modifying transport parameters to match different assumptions for ion temperature, downstream neutral pressure changes by more than a factor of two, suggesting that attention to ion thermal transport may be a critical parameter for simulations to accurately resolve recycling and neutral transport, particularly in a closed divertor geometry. In addition to quantifying various modeling uncertainties, this work motivates both further experimental study and modeling improvements to improve predictive capabilities.

divertor↗

DOE OSTI2024

Time-series metagenomics reveals changing protistan ecology of a temperate dimictic lake

Abstract Background Protists, single-celled eukaryotic organisms, are critical to food web ecology, contributing to primary productivity and connecting small bacteria and archaea to higher trophic levels. Lake Mendota is a large, eutrophic natural lake that is a Long-Term Ecological Research site and among the world’s best-studied freshwater systems. Metagenomic samples have been collected and shotgun sequenced from Lake Mendota for the last 20 years. Here, we analyze this comprehensive time series to infer changes to the structure and function of the protistan community and to hypothesize about their interactions with bacteria. Results Based on small subunit rRNA genes extracted from the metagenomes and metagenome-assembled genomes of microeukaryotes, we identify shifts in the eukaryotic phytoplankton community over time, which we predict to be a consequence of reduced zooplankton grazing pressures after the invasion of a invasive predator (the spiny water flea) to the lake. The metagenomic data also reveal the presence of the spiny water flea and the zebra mussel, a second invasive species to Lake Mendota, prior to their visual identification during routine monitoring. Furthermore, we use species co-occurrence and co-abundance analysis to connect the protistan community with bacterial taxa. Correlation analysis suggests that protists and bacteria may interact or respond similarly to environmental conditions. Cryptophytes declined in the second decade of the timeseries, while many alveolate groups (e.g., ciliates and dinoflagellates) and diatoms increased in abundance, changes that have implications for food web efficiency in Lake Mendota. Conclusions We demonstrate that metagenomic sequence-based community analysis can complement existing efforts to monitor protists in Lake Mendota based on microscopy-based count surveys. We observed patterns of seasonal abundance in microeukaryotes in Lake Mendota that corroborated expectations from other systems, including high abundance of cryptophytes in winter and diatoms in fall and spring, but with much higher resolution than previous surveys. Our study identified long-term changes in the abundance of eukaryotic microbes and provided context for the known establishment of an invasive species that catalyzes a trophic cascade involving protists. Our findings are important for decoding potential long-term consequences of human interventions, including invasive species introduction.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Root Influences on Mobilization and Export of Mineral-bound Soil Organic Matter

Biogeochemical cycles within mountainous watersheds are key regulators of ecosystem carbon storage and downstream nutrient loadings, and they have shown to be particularly vulnerable to climate change impacts. Increasing temperature and persistent droughts have already dramatically changed vegetation cover across the mountainous western US, with unknown consequences for soil carbon and nutrient cycles belowground. What remains elusive is to what extent associated changes in root-soil interactions may mobilize the vast pool of organic matter (OM) that has been stabilized by associations with minerals for centuries or millennia. Although plant root-driven OM mobilization from minerals may be a central control on carbon loss and nutrient export, such mechanisms are currently missing from conceptual and numerical models. The overall objective of this Exploratory Project is to identify the biogeochemical mechanisms by which roots destabilize mineral-associated organic matter (MAOM) and the cumulative impact on carbon and nutrient fate. To accomplish this goal, we integrated well-controlled laboratory experiments with in-field measurements and a scalable modeling approach. First, we conducted model system experiments to assess the vulnerability of MAOM to exudate-mediated mechanisms. Our results show that common root exudates effectively destabilize MAOM not only through direct, ligand-driven mobilization mechanisms, but also indirect, microbially-mediated mechanisms relying on secondary metabolites and enzymes. We further found that OM bound to poorly crystalline Fe and Al (hydr)oxides is more vulnerable to exudate-induced destabilization than OM bound to more crystalline phases, particularly in response to direct, ligand-promoted mechanisms. These findings demonstrate that the stability of MAOM is not just a function of their inherent properties, but also will depend in large parts on the ability of plant roots and microbes to produce exudates capable of triggering suitable mobilization mechanisms. We further employed a well-controlled rhizobox approach, combining advanced microsensor and mass spectrometry techniques, to resolve spatiotemporal variations in the composition and availability of exudates along single growing roots of grasses. Our results show that the composition of functionally relevant exudate compounds varies at extremely short time scales, seemingly shifting from ligands such as aromatic acids around root tips to less reactive metabolites such as amino acids around mature root segments. These results suggest a prevalence of direct MAOM mobilization mechanisms around the root tip, while indirect MAOM mobilization strategies may dominate around more mature root segments. Additionally, we utilized microsensor measurements in rhizoboxes to parameterize a rhizosphere (hydro)biogeochemistry reactive transport model (eSTOMP-ROOTS). The resulting model was used to assess how root exudations affects the stability of MAOM. Model simulations show that diel pulses of root exudation are strong enough to cause oscillations in biogeochemical conditions—particularly in pH, oxygen concentrations, and microbial activity— that repeatedly disrupt MAOM. Finally, we assessed field-scale impacts of root-driven MAOM destabilization over short and long time scales. A combination of in-field incubations and field-based characterizations showed that MAOM may not only be vulnerable to seasonal variations in root activity, but also to root-driven weathering over pedogenic time scales. In sum, results from our Exploratory Award highlight the strong control plant roots exert on MAOM mobilization and, thus, on the potential for carbon and nutrient export from watersheds.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Increased importance of aerosol–cloud interactions for surface PM 2.5 pollution relative to aerosol–radiation interactions in China with the anthropogenic emission reductions

Surface fine particulate matter (PM 2.5 ) pollution can be enhanced by feedback processes induced by aerosol–radiation interactions (ARIs) and aerosol–cloud interactions (ACIs). Many previous studies have reported enhanced PM 2.5 concentrations induced by ARIs and ACIs for episodic events in China. However, few studies have examined the changes in the ARI- and ACI-induced PM 2.5 enhancements over a long period, though the anthropogenic emissions have changed substantially in the last decade. In this study, we quantify the ARI- and ACI-induced PM 2.5 changes for 2013–2021 under different meteorology and emission scenarios using the Weather Research and Forecasting model with Chemistry (WRF-Chem), and we investigate the driving factors behind the changes. Our results show that, in January 2013, when China suffered from the worst PM 2.5 pollution, the PM 2.5 enhancement induced by ARIs in eastern China (5.59 µg m −3 ) was larger than that induced by ACIs (3.96 µg m −3 ). However, the ACI-induced PM 2.5 enhancement showed a significantly smaller decrease ratio (51 %) than the ARI-induced enhancement (75 %) for 2013–2021, making ACIs more important for enhancing PM 2.5 concentrations in January 2021. Our analyses suggest that the anthropogenic emission reductions played a key role in this shift. Owing to only anthropogenic emission reductions, the ACI-induced PM 2.5 enhancement decreased by 43 % in January, which was lower than the decrease ratio of the ARI-induced enhancement (57 %). The relative change in ARI- and ACI-induced PM 2.5 enhancement in July was similar to the pattern observed in January, caused by anthropogenic emission reductions. The primary reason for this phenomenon is that the decrease in ambient PM 2.5 for 2013–2021 caused a disproportionately small decrease in the liquid water path (LWP) and an increase in the cloud effective radius (Re) under the condition of high PM 2.5 concentrations. Therefore, the surface solar radiation attenuation (and, hence, the boundary layer height reduction) caused by ACIs decreased slower than that caused by ARIs. Moreover, the lower decrease ratio of the ACI-induced PM 2.5 enhancement was dominated by the lower decrease ratio of ACI-induced secondary PM 2.5 component enhancement, which was additionally caused by the smaller decrease ratio of the air temperature reduction and the relative humidity (RH) increase. Our findings indicate that, with the decrease in ambient PM 2.5 , the ACI-induced PM 2.5 enhancement inevitably becomes more important. This needs to be considered in the formulation of control policies to meet the national PM 2.5 air quality standard.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Heat transfer optimization of uo 2 -mo fuel using genetic algorithms

Two genetic algorithm (GA) methods were applied to thermal finite element models to optimize the heat transfer efficacy of a UO 2 -Mo composite fuel pellet with typical pressurized water reactor fuel geometry. Mo additions to UO 2 have been shown to increase the thermal conductivity, thus reducing centerline temperatures and temperature gradients. Previous studies evaluated uniformly dispersed Mo or continuous Mo internal geometries (e.g., fins, plates, discs) that were selected using engineering intuition. The current study uses two different implementations of the same GA to optimize Mo placement and minimize the fuel temperature with the only constraint being a maximum 10% Mo volume fraction. One approach superimposed Mo line elements onto the monolithic UO 2 pellet model, and the other converted entire UO 2 volume elements to Mo. The former method generated 1D heat transfer connections between nodes, whereas the latter method allowed for the formation of 3D structures. Features of the optimal fuel design produced by the GAs included dispersed Mo near the centerline that shifted the peak fuel temperature outward by 0.6 mm, Mo chains in the high-heat-flux region in the mid-to-outer radial zone, and a large continuous structure that spanned the full radius and height of the pellet and accounted for 87.7 % of the total Mo in the pellet. Analysis of this design indicates that the optimal Mo configuration is a balance between creating continuous heat transfer pathways and optimally dispersing Mo to minimize the heat transfer distance through UO 2 . This architecture ultimately produced an effective thermal conductivity of 11.3 W/m·K under the assumed boundary conditions. This result is higher than any previous values from the literature. In conclusion, potential fabrication methods and challenges are discussed in addition to the implications on fuel performance.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Rate capability and Ragone plots for phase change thermal energy storage

Phase change materials can improve the efficiency of energy systems by time shifting or reducing peak thermal loads. The value of a phase change material is defined by its energy and power density—the total available storage capacity and the speed at which it can be accessed. These are influenced by material properties but cannot be defined with these properties alone. In this work, we show the close link between energy and power density by developing thermal rate capability and Ragone plots, a framework widely used to describe the trade-off between energy and power in electrochemical storage systems (that is, batteries). Our results elucidate how material properties, geometry and operating conditions influence the performance of phase change thermal storage. This research sets a clear framework for comparing thermal storage materials and devices and can be used by researchers and designers to increase clean energy use with storage.

25 ENERGY STORAGE↗

DOE OSTI2025

Multi-physics Topology OPtimization and Additive Manufacturing for High-temperature Heat Exchangers

This research significantly advances the understanding of high-temperature heat exchanger design through an integrated approach that combines topology optimization (TO), triply periodic minimal surface (TPMS) structures, additive manufacturing (AM) and thermohydraulic testing. Each of these components contributes uniquely to a unified, high-performance design, fabrication and testing workflow. Topology optimization serves as the foundation of the design methodology by providing a systematic way to determine the most effective material layout for separating hot and cold fluids while maximizing thermal performance. The researchers introduced a novel three-material optimization framework using two density fields to represent hot fluid, cold fluid, and solid domains. This approach enables automated discovery of optimal shapes and flow paths that cannot be intuitively designed, especially under constraints imposed by manufacturing technologies. Furthermore, constraints such as minimal wall thickness and overhang angles were embedded into the optimization process, ensuring that resulting designs are not only thermally efficient but also manufacturable using modern additive techniques. In parallel, the study delves into the use of Gyroid-based TPMS geometries for constructing the core of the heat exchanger. TPMS structures are known for their high surface area, excellent fluid mixing capabilities, and minimal pressure drop characteristics. The researchers applied a data-driven modeling framework using Heteroscedastic Sparse Gaussian Process Regression (HSGPR) combined with genetic algorithms. This allowed for the rapid evaluation and optimization of key geometric parameters such as frequency, iso-value, and phase shift. The result was a set of Gyroid structures tailored for high heat transfer and low flow resistance, demonstrating clear improvements over conventional straight-channel designs. After the designing process, additive manufacturing played a critical role by turning these highly complex, optimized geometries into physical components. Utilizing Laser Powder Bed Fusion (LPBF) with Haynes 282, the study demonstrated the feasibility of fabricating these heat exchangers at high precision. Post-processing methods, including dilation-erosion operations, were applied to ensure local features adhered to self-supporting constraints. The fabricated structures were then subjected to thermohydraulic testing under conditions representative of supercritical CO 2 Brayton cycles, validating the predicted performance and confirming the viability of the full design-to-fabrication pipeline. Finally, thermohydraulic testing across the above studies served as a crucial experimental validation of advanced heat exchanger. Under consistent high-temperature and high-pressure conditions using supercritical CO 2 , the testing demonstrated that both TO and Gyroid-based TPMS designs significantly outperformed conventional straight-channel HXs. The TO design achieved a 115% increase in UA and NTU and a 27.6% boost in gravimetric power density, while the data-driven optimized Gyroid design delivered a 166% increase in UA and NTU and improved effectiveness from 68.7% to 86.1%. These results validate the simulation models, confirm the manufacturability of complex geometries under AM constraints, and provide key insights into design-performance trade-offs, thereby advancing the development of high-efficiency, compact heat exchangers for extreme environments.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Impact of Plate Thickness and Joint Geometry on Residual Stresses in 347H Stainless Steel Welds

Weldments of 347H stainless steel are potentially susceptible to stress relaxation cracking at elevated service temperatures. Mitigation of stress relaxation cracking susceptibility within a multipass weld requires a good understanding of welding practices and manufacturing techniques to control high tensile residual stresses. Here in this work, the dependence of residual stress distribution in 347H stainless steel on base plate thickness, joint geometry design, and preheating condition was systematically investigated by using three-dimensional finite element models. The finite element models were validated through good agreement between neutron diffraction measurements and calculated elastic strains. The single-V-groove welds with and without a preheating step all produced similar peak von Mises residual stresses, above 450 MPa, within both the fusion zone and heat-affected zone (HAZ). In plates thicker than 0.5 in. (12.7 mm), high tensile residual stress could be observed in a relatively large area, from the middle of the plate thickness to underneath the top surface. A double-V groove shifted the high tensile stress area to the middle thickness of the weld. A single-J-groove weld was able to confine the residual stress to a very small region near the middle thickness within the fusion zone and suppressed the von Mises residual stress within the HAZ to below 400 MPa.

14 SOLAR ENERGY↗

DOE OSTI2020

Chemical Analysis of Fluorobenzenes via Multinuclear Detection in the Strong Heteronuclear J-Coupling Regime

Chemical analysis via nuclear magnetic resonance (NMR) spectroscopy using permanent magnets, rather than superconducting magnets, is a rapidly developing field. Performing the NMR measurement in the strong heteronuclear J-coupling regime has shown considerable promise for the chemical analysis of small molecules. Typically, the condition for the strong heteronuclear J-coupling regime is satisfied at µT magnetic field strengths and enables high resolution J-coupled spectra (JCS) to be acquired. However, the JCS response to systematic chemical structural changes has largely not been investigated. In this report, we investigate the JCS of C6H6−xFx (x = 0, 1, 2, …, 6) fluorobenzene compounds via simultaneous excitation and detection of 19F and 1H at 51.5 µT. The results demonstrate that JCS are quantitative, and the common NMR observables, including Larmor frequency, heteronuclear and homonuclear J-couplings, relative signs of the J-coupling, chemical shift, and relaxation, are all measurable and are differentiable between molecules at low magnetic fields. The results, corroborated by ab initio calculations, provide new insights into the impact of chemical structure and their corresponding spin systems on JCS. In several instances, the JCS provided more chemical information than traditional high field NMR, demonstrating that JCS can be used for robust chemical analysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗