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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 865 records · Page 48

Real-Space Local Dynamics in 1,2,3-Triazole Using Inelastic Neutron Scattering

Enhancing proton transport in polymer electrolytes is crucial for advancing next-generation solid-state batteries, yet our understanding of proton conductivity in nonaqueous environments remains limited due to a lack of atomic-scale insights. Here, in this study, we investigated the atomic-scale dynamics of 1,2,3-triazole, a small molecule capable of dynamic hydrogen bonding, as a model system for proton hopping in nonaqueous environments. Using the real-space correlation function determined by the double Fourier transformation of inelastic neutron scattering spectra, we identified that the self-motion of protons and intermolecular dynamics occur on comparable time scales. Furthermore, we observed that the activation energy associated with the intermolecular dynamics matches the energy barrier for molecular rotations determined through Density Functional Theory calculations. These findings underscore the importance of controlling molecular dynamics at the atomic scale to control proton transport. Additionally, we demonstrated that intermolecular dynamics in systems involving protons can be studied using inelastic neutron scattering even without deuteration, thereby providing a broader avenue for studying atomic-scale dynamics in soft matter systems.

Shinohara, Yuya [Oak Ridge National Laboratory (OR↗

Effects of groundwater pumping on ground surface temperature: A regional modeling study in the North China Plain

Over-exploitation of groundwater (GW) in the North China Plain (NCP) since the 1960s has many environmental consequences. However, understanding of the dominant mechanisms remains limited, particularly at regional scale. In this study, the coupled ParFlow.CLM model representing subsurface and land-surface processes and their interactions was applied in the NCP at high spatio-temporal resolutions. The model was validated using the water and energy fluxes reported in previous studies and from the JRA-55 reanalysis. Numerical experiments were designed to examine the relative impacts of GW pumping and irrigation on the ground surface temperature (GST). Results show significant effects of GW pumping on GST in the NCP. Generally, the subsurface acts as a buffer to temporal variations in heat fluxes at the land-surface, but long-term pumping can gradually weaken this buffer, resulting in increases in the spatio-temporal variability of GST, as exemplified by hotter summers and colder winters. Considering that changes of water table depth (WTD) can significantly affect land surface heat fluxes when WTD ranges roughly between 0.01–10 m, the 0.5 m/year increase of WTD simulated by the model due to pumping can continue to increase the average WTD and hence, disturb GST, for about 20 years from the pre-pumping WTD in the NCP, before the WTD exceeds 10 m. The variations of GST are expected to be faster initially and gradually slow down due to the nonlinear behaviors of GST with WTD. The findings from this study in the NCP may also have implications for other regions with GW depletion.

Yang, Chen↗

Machine learning coupled multi-scale modeling for redox flow batteries

The reaction distribution in macro or device-scale has been studied for redox flow batteries. The reaction distribution on electrode pore-scale structure however is not well understood, lacking especially on how the reaction distribution on the pore-scale may impact the overall performance of a flow battery. This study introduces for the first time a framework of a multi-scale model that provides understanding of the relationship between the pore-scale electrode structure reaction and the device-scale electrochemical reaction uniformity within the flow battery. A reduced order model is constructed based on 128 pore-scale simulations, which provide a quantitative relationship between the battery operation conditions (inlet velocity, current density, inlet concentration) and the surface reaction uniformity for the pore-scale sample. The multi-scale framework upscales this pore-scale surface reaction uniformity to device-scale combined uniformity. Based on the multi-scale model, a time-varying optimization of the inlet velocity is established, leading to significant reduction on pump power consumption with targeted surface reaction uniformity. The multi-scale model establishes the critical link between the micro-structure of a flow battery component and its performance at the macro-scale, therefore providing rationale for further operational or material optimization.

flow batteries, machine learning, multi-scale mode↗

Aerosol Meteorology of Maritime Continent for the 2012 7SEAS Southwest Monsoon Intensive Study - Part 2: Philippine Receptor Observations of Fine-Scale Aerosol Behavior

The largest 7 Southeast Asian Studies (7SEAS) operations period within the Maritime Continent (MC) occurred in the August-September 2012 biomass burning season. Data included were observations aboard the MY Vasco, dispatched to the Palawan Archipelago and Sulu Sea of the Philippines for September 2012. At these locations, the Vasco observed MC smoke and pollution entering the southwest monsoon (SWM) monsoonal trough. Here we describe the research cruise findings and the finer-scale aerosol meteorology of this convectively active region. This 2012 cruise complemented a 2-week cruise in 2011 and was generally consistent with previous findings in terms of how smoke emission and transport related to monsoonal flows, tropical cyclones (TC), and the covariance between smoke transport events and the atmosphere's thermodynamic structure. Biomass burning plumes were usually mixed with significant amounts of anthropogenic pollution. Also key to aerosol behavior were squall lines and cold pools propagating across the South China Sea (SCS) and scavenging aerosol particles in their path. However, the 2012 cruise showed much higher modulation in aerosol frequency than its 2011 counterpart. Whereas in 2011 large synoptic-scale aerosol events transported high concentrations of smoke into the Philippines over days, in 2012 measured aerosol events exhibited a much shorter-term variation, sometimes only 312h. Strong monsoonal flow reversals were also experienced in 2012. Nucleation events in cleaner and polluted conditions, as well as in urban plumes, were observed. Perhaps most interestingly, several cases of squall lines preceding major aerosol events were observed, as opposed to 2011 observations where these lines largely scavenged aerosol particles from the marine boundary layer. Combined, these observations indicate pockets of high and low particle counts that are not uncommon in the region. These perturbations are difficult to observe by satellite and very difficult to model. Indeed, the Navy Aerosol Analysis and Prediction System (NAAPS) simulations captured longer period aerosol events quite well but largely failed to capture the timing of high-frequency phenomena. Ultimately, the research findings of these cruises demonstrate the real world challenges of satellite-based missions, significant aerosol life cycle questions such as those the future Aerosol/Clouds/Ecosystems (ACE) will investigate, and the importance of small-scale phenomena such as sea breezes, squall lines, and nucleation events embedded within SWM patterns in dominating aerosol life cycle and potential relationships to clouds.

Reid, Jeffrey S.↗

Impact of Device Scaling on Deep Sub-micron Transistor Reliability: A Study of Reliability Trends using SRAM

As microelectronics are scaled in to the deep sub-micron regime, users of advanced technology CMOS, particularly in high-reliability applications, should reassess how scaling effects impact long-term reliability. An experimental based reliability study of industrial grade SRAMs, consisting of three different technology nodes, is proposed to substantiate current acceleration models for temperature and voltage life-stress relationships. This reliability study utilizes step-stress techniques to evaluate memory technologies (0.25mum, 0.15mum, and 0.13mum) embedded in many of today's high-reliability space/aerospace applications. Two acceleration modeling approaches are presented to relate experimental FIT calculations to Mfr's qualification data.

CMOS integrated circuits↗

Characterizing Performance of Freshwater Wetland Methane Models Across Time Scales at FLUXNET-CH 4 Sites Using Wavelet Analyses

Process-based land surface models are important tools for estimating global wetland methane (CH 4 ) emissions and projecting their behavior across space and time. So far there are no performance assessments of model responses to drivers at multiple time scales. In this study, we apply wavelet analysis to identify the dominant time scales contributing to model uncertainty in the frequency domain. We evaluate seven wetland models at 23 eddy covariance tower sites. Our study first characterizes site-level patterns of freshwater wetland CH 4 fluxes (FCH 4 ) at different time scales. A Monte Carlo approach was developed to incorporate flux observation error to avoid misidentification of the time scales that dominate model error. Our results suggest that (a) significant model-observation disagreements are mainly at multi-day time scales (<15 days); (b) most of the models can capture the CH 4 variability at monthly and seasonal time scales (>32 days) for the boreal and Arctic tundra wetland sites but have significant bias in variability at seasonal time scales for temperate and tropical/subtropical sites; (c) model errors exhibit increasing power spectrum as time scale increases, indicating that biases at time scales <5 days could contribute to persistent systematic biases on longer time scales; and (d) differences in error pattern are related to model structure (e.g., proxy of CH 4 production). Our evaluation suggests the need to accurately replicate FCH 4 variability, especially at short time scales, in future wetland CH 4 model developments.

58 GEOSCIENCES↗

A machine learning method of modern urban building energy modeling: A case study of Chicago

Urban-scale building energy modeling is vital for urban planning. However, it can be challenging to assimilate reliable non-geometry building data for urban-scale modeling without extensive investment. Here, this study introduces a novel approach to developing modern urban-scale building energy stock data using geographic information systems and machine learning algorithms without necessarily requiring pre-supplied non-geometric metadata. The proposed framework integrates building footprint and height data to estimate gross floor areas, and matches each building to a pool of candidate records from ComStock or ResStock—filtered to the same county and ranked by geometric similarity—demonstrate a proof-of-concept case study in Chicago for predicting energy use intensity (EUI) using scalable datasets. The model achieved a mean bias error (MBE) of 0.08 kWh/m² and root mean square error (RMSE) of 14.84 kWh/m² under full metadata input for EUI prediction. With only location inputs, the model captured 69.2 % of EUI within predicted ranges. These results demonstrate the model’s potential to support early-stage urban planning, identify candidates for energy-efficient retrofits. By removing the dependency on detailed pre-surveys or extensive building metadata, the approach overcomes a key barrier in traditional urban-scale building energy modeling, illustrating a pathway toward broader and more cost-effective application, though further multi-city validation and improved treatment of pre-1925 buildings are needed.

Energy Use Intensity↗

Using Methyl Bromide for Interspecies Cell–Cell Signaling and As a Reporter in a Model Soil Consortium

Synthetic microbial communities are emerging as model systems for studying consortia-scale phenotypes. To establish synthetic biology tools for studying these communities in hard-to-image environmental materials, we evaluated whether a single member of a model soil consortium (MSC) can be programmed to report on gene expression without requiring matrix disruption. For these studies, we targeted a five member MSC that includes Dyadobacter fermentans, Ensifer adhaerens, Rhodococcus sp003130705, Streptomyces sp001905665, and Variovorax beijingensis. By coupling the expression of a methyl halide transferase to a constitutive promoter, we show that Variovorax beijingensis can be programmed to synthesize methyl halides that accumulate in the soil headspace at levels that are ≥24-fold higher than all other MSC members across a range of environmentally-relevant hydration conditions. We find that methyl halide production can report on a MSC promoter that is activated by changes in water potential, and we demonstrate that a synthetic gas signal can be read out directly using gas chromatography and indirectly using a soil-derived Methylorubrum that is programmed to produce a visual output in response to methyl halides. Finally, these tools will be useful for future studies that investigate how MSC respond to dynamic hydration conditions, such as drought and flood events induced by climate change, which can alter soil water potential and induce the release of stored carbon.

59 BASIC BIOLOGICAL SCIENCES↗

Low-chromophore lignin isolation from natural biomass with polyol-based deep eutectic solvents

When attempting to obtain light-color lignin from lignocellulosic biomass or industrial lignin, the available options based on chemical or morphological modification suffer from low yield, high cost, and lack of availability at the required scales. In this study, we adopted a polyhydric-alcohol-based deep eutectic solvent (PA-DES) to directly extract light-color lignin from natural biomass, which is even whiter than native cellulolytic enzyme lignin (CEL). The isolated lignin possessed a high recovery yield (97.36%), regular micro-spherical morphology, enriched β-ether linkage of 58/100Ar, low phenolic hydroxyl content of 1.25 mmol g -1 , minimal carbonyl content of 0.70 mmol g -1 , and less condensed structures, thus yielding a lower content of chromophores. Further, this lignin showed excellent sunscreen effects, which could enhance the SPF of a commercial sunscreen from 15 to 40 with only 5 wt% addition. This study can provide essential guidance for the scale-up production of light-color lignin and obtaining near-complete digestible cellulose for further saccharification.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Mars Soil-Based Resource Processing and Planetary Protection

The ability to extract and process resources at the site of exploration into products and services, commonly referred to as In Situ Resource Utilization (ISRU), can have significant benefits for robotic and human exploration missions. In particular, the ability to use in situ resources to make propellants, fuel cell reactants, and life support consumables has been shown in studies to significantly reduce mission mass, cost, and risk, while enhancing or enabling missions not possible without the incorporation of ISRU. In December 2007, NASA completed the Mars Human Design Reference Architecture (DRA) 5.0 study. For the first time in a large scale Mars architecture study, water from Mars soil was considered as a potential resource. At the time of the study, knowledge of water resources (their form, concentration, and distribution) was extremely limited. Also, due to lack of understanding of how to apply planetary protection rules and requirements to ISRU soil-based excavation and processing, an extremely conservative approach was incorporated where only the top several centimeters of ultraviolet (UV) radiated soil could be processed (assumed to be 3% water by mass). While results of the Mars DRA 5.0 study showed that combining atmosphere processing to make oxygen and methane with soil processing to extract water provided the lowest mission mass, atmosphere processing to convert carbon dioxide (CO2) into oxygen was baselined for the mission since it was the lowest power and risk option. With increased knowledge and further clarification of Mars planetary protection rules, and the recent release of the Mars Exploration Program Analysis Group (MEPAG) report on "Special Regions and the Human Exploration of Mars", it is time to reexamine potential water resources on Mars, options for soil processing to extract water, and the implications with respect to planetary protection and Special Regions on Mars.

Sanders, G. B.↗

Adaptive, Model-Driven Observation for Earth Science

In this article we introduce a preliminary effort to apply an adaptive and model-driven sensing framework to the study of large scale storms. Such systems pose great challenges as studying complex, fast developing Earth science phenomena such as hurricanes have significant spatial extent and complex temporal evolution making comprehensive sensing of the entire phenomena prohibitive. We use adaptive sensing to direct sensing in an autonomous and intelligent cycle. We show how online analysis would increase the knowledge of the event and decrease uncertainty in predictions.

Swope, J.↗

An international study on THM modelling of the full-scale heater experiment at Mont Terri laboratory

We present results from an international model comparison study of the Full-Scale Emplacement (FE) experiment in Opalinus Clay at the Mont Terri Laboratory, Switzerland. Based on a provided parameter set the teams decided which parameters they adopted for their models, whether they considered the excavation and the ventilation phase in addition to the heating phase and if they included technical features like the shotcrete or the EDZ. The teams were able to reproduce the measured parameters temperature, relative humidity and pore pressure. The modelled results for temperature agree very closely between the teams especially in the sensors in Opalinus Clay. All teams were able to reproduce the redistribution of water in the bentonite backfill due to heating. The evolution of the relative humidity showed similar trends with differences in the intensity of the dry out effect. To model the pore pressure evolution is more complex because it comprises the full interaction of the coupled THM processes. The spread between the pore pressure modelled by the teams was larger, with some teams overestimating the pressure increase due to heating and some teams overestimating the extent of drainage. The agreement of modelled results with measurements improves with larger distance to the heater. We conclude that the EDZ and the shotcrete potentially influence the behaviour of the rock causing higher differences closer to the heater. Further research is needed to better implement those influences into the models. Based on the calibrated models, the future evolution of temperature, relative humidity and pore pressure was predicted over the next 10 years following a change of the heat power applied in 2023 and 2024. Again, the predicted temperatures agree very closely between the teams. Most teams do not expect an increase in relative humidity during the next 10 years after the initial dry-out.

58 GEOSCIENCES↗

A genome-scale phylogeny of the kingdom Fungi

Phylogenomic studies using genome-scale amounts of data have greatly improved understanding of the tree of life. Despite the diversity, ecological significance, and biomedical and industrial importance of fungi, evolutionary relationships among several major lineages remain poorly resolved, especially those near the base of the fungal phylogeny. To examine poorly resolved relationships and assess progress toward a genome-scale phylogeny of the fungal kingdom, we compiled a phylogenomic data matrix of 290 genes from the genomes of 1,644 species that includes representatives from most major fungal lineages. We also compiled 11 data matrices by subsampling genes or taxa from the full data matrix based on filtering criteria previously shown to improve phylogenomic inference. Analyses of these 12 data matrices using concatenation- and coalescent-based approaches yielded a robust phylogeny of the fungal kingdom, in which ~85% of internal branches were congruent across data matrices and approaches used. We found support for several historically poorly resolved relationships as well as evidence for polytomies likely stemming from episodes of ancient diversification. By examining the relative evolutionary divergence of taxonomic groups of equivalent rank, we found that fungal taxonomy is broadly aligned with both genome sequence divergence and divergence time but also identified lineages where current taxonomic circumscription does not reflect their levels of evolutionary divergence. Finally, our results provide a robust phylogenomic framework to explore the tempo and mode of fungal evolution and offer directions for future fungal phylogenetic and taxonomic studies.

59 BASIC BIOLOGICAL SCIENCES↗

Rotation curves and scaling relations of extremely massive spiral galaxies

We study the kinematics and scaling relations of a sample of 43 giant spiral galaxies that have stellar masses exceeding $10^{11} \, {\rm M}_\odot$ and optical discs up to 80 kpc in radius. We use a hybrid 3D–1D approach to fit 3D kinematic models to long-slit observations of the H α-$\rm{[N\, \small {II}]}$ emission lines and we obtain robust rotation curves of these massive systems. We find that all galaxies in our sample seem to reach a flat part of the rotation curve within the outermost optical radius. We use the derived kinematics to study the high-mass end of the two most important scaling relations for spiral galaxies: the stellar/baryonic mass Tully–Fisher relation and the Fall (mass-angular momentum) relation. All galaxies in our sample, with the possible exception of the two fastest rotators, lie comfortably on both these scaling relations determined at lower masses, without any evident break or bend at the high-mass regime. When we combine our high-mass sample with low-mass data from the Spitzer Photometry & Accurate Rotation Curves catalogue, we find a slope of α = 4.25 ± 0.19 for the stellar Tully–Fisher relation and a slope of γ = 0.64 ± 0.11 for the Fall relation. Our results indicate that most, if not all, of these rare, giant spiral galaxies are scaled up versions of less massive discs and that spiral galaxies are a self-similar population of objects up to the very high-mass end.

79 ASTRONOMY AND ASTROPHYSICS↗

Acoustic characteristics of 1/20-scale model helicopter rotors

A wind tunnel test to study the effects of geometric scale on acoustics and to investigate the applicability of very small scale models for the study of acoustic characteristics of helicopter rotors was conducted in the United Technologies Research Center Acoustic Research Tunnel. The results show that the Reynolds number effects significantly alter the Blade-Vortex-Interaction (BVI) Noise characteristics by enhancing the lower frequency content and suppressing the higher frequency content. In the time domain this is observed as an inverted thickness noise impulse rather than the typical positive-negative impulse of BVI noise. At higher advance ratio conditions, in the absence of BVI, the 1/20 scale model acoustic trends with Mach number follow those of larger scale models. However, the 1/20 scale model acoustic trends appear to indicate stall at higher thrust and advance ratio conditions.

Shenoy, Rajarama K.↗

Large-Scale Interlaboratory DI-FT-ICR MS Comparability Study Employing Various Systems

We report ultra-high resolution mass spectrometry (UHR-MS) coupled with direct infusion (DI) electrospray ionization offers a fast solution for accurate untargeted profiling. Fourier transform ion cyclotron resonance (FT-ICR) mass spectrometers have been shown to produce a wealth of insights into complex chemical systems because they enable unambiguous molecular formula assignment even if the vast majority of signals is of unknown identity. Inter-laboratory comparisons are required to apply this type of instrumentation in quality control (for food industry or pharmaceutics), large-scale environmental studies or clinical diagnostics. Extended comparisons employing different FT-ICR MS instruments with qualitative direct infusion analysis are scarce since the majority of detected compounds cannot be quantified. The extent to which observations can be reproduced by different laboratories remains unknown. We set up a preliminary study which encompassed a set of seventeen laboratories around the globe, diverse in instrumental characteristics and applications, to analyze the same sets of extracts from commercially available standard human blood plasma and Standard Reference Material (SRM) for blood plasma (SRM1950), which were delivered at different dilutions or spiked with different concentrations of pesticides. The aim of this study was to assess the extent to which the outputs of differently tuned FTICR mass spectrometers, with different technical specifications, are comparable for setting the frames of a future DI-FT-ICR MS ring trial. We concluded that a cluster of five laboratories, with diverse instrumental characteristics showed comparable and representative performance across all experiments, setting a reference to be used in a future ring trial on blood plasma.

47 OTHER INSTRUMENTATION↗

Qualification study of SiPMs on a large scale for the CMVD Experiment

A Cosmic Muon Veto (CMV) detector using extruded plastic scintillators is being designed around the mini-Iron Calorimeter (mini-ICAL) detector at the transit campus of the India based Neutrino Observatory, Madurai for the feasibility study of shallow depth underground experiments. The scintillation signals that are produced in the plastic due to muon trajectories are absorbed by wavelength shifting (WLS) fibres. The WLS fibres re-emit photons of longer wavelengths and propagate those to silicon photo-multipliers (SiPMs). The SiPMs detect these photons, producing electronic signals. The CMV detector will use more than 700 scintillators to cover the mini-ICAL detector and will require around 3000 SiPMs. The design goal for the cosmic muon veto efficiency of the CMV is >99.99%. Hence, every SiPM used in the detector needs to be tested and characterised to satisfy the design goal of CMV. A mass testing system was developed for the measurement of gain and choice of the overvoltage ($V_{ov}$) of each SiPMs using an LED driver. The $V_{ov}$ is obtained by studying the noise rate, the gain of the SiPM. This paper describes the experimental setup used to test the SiPMs characteristics along with detailed studies of those characteristics as a function of temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗