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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 163 records · Page 9

Tetrapodal textured Janus textiles for accessible menstrual health

Menstruating individuals without access to adequate hygiene products often improvise with alternatives that pose health risks and limit their participation in society. We describe here a menstrual hygiene product based on low-cost materials, which are integrated onto fabrics to imbue unidirectional permeability. A body-facing "Janus" fabric top layer comprising ZnO tetrapods spray-coated onto polyester mosquito netting imparts hierarchical texturation, augmenting the micron-scale texturation derived from the weave of the underlying fabric. The asymmetric coating establishes a gradient in wettability, which underpins flash spreading and unidirectional permeability. The hygiene product accommodates a variety of absorptive media, which are sandwiched between the Janus layer and a second outward-facing coated densely woven fabric. An assembled prototype demonstrates outstanding ability to wick saline solutions and a menstrual fluid simulant while outperforming a variety of commercially alternatives. The results demonstrate a versatile menstrual health product that provides a combination of dryness, discretion, washability, and safety.

60 APPLIED LIFE SCIENCES↗

Impacts of engine lubrication oil-derived ash on soot oxidative reactivity on a catalytic gasoline particulate filter

Characterizing soot oxidation kinetics is crucial for understanding how gasoline particulate filters (GPFs) perform both in terms of filtration efficiency and pressure drop. The most common method for measuring soot oxidative reactivity is thermogravimetric analysis (TGA). Because TGA is an offline method, it may inaccurately predict how soot oxidizes on a GPF, especially if a catalytic washcoat is present that may enhance oxidation rates through surface interactions as the soot loads on the filter. In this work, a novel in-situ soot oxidative reactivity measurement method was developed. The method involved loading a catalytic GPF under high temperature conditions conducive to soot oxidation and measuring the filtration efficiency of 100 nm particles. A correlation was made between filtration efficiency and loaded soot mass on the filter to allow calculation of the soot oxidation rate. The method was evaluated in experiments using a 2.0 L gasoline direct injection (GDI) engine with three oils of varying additive packages, including an oil with a high zinc dialkyldithiophosphate (ZDDP) concentration, a non-additive, pure poly-alpha olefin (PAO) oil, and an oil with a high concentration of calcium sulfonate. Calculated specific soot oxidation rates ranged from ~0.06–0.6 min –1 and showed strong dependence on GPF inlet gas temperature and lubrication oil additive type. The results clearly demonstrated a catalytic effect of calcium-containing ash particles. Reactivity of soot produced by the engine running with the high calcium containing lubrication oil was increased. Similarly, the results indicated that the catalytic washcoat on the filter increased soot oxidation rates on-filter, especially at low soot loading. Conversely, the ZDDP oil additive exhibited a reactivity inhibiting effect, resulting in lower soot oxidation rates. Finally, this work represents the first known in-situ soot oxidative reactivity measurements on a GPF and elucidates the effect of lubrication oil additives and catalytic washcoat on oxidation rate.

42 ENGINEERING↗

Deep learning uncertainty quantification for clinical text classification

Machine learning algorithms are expected to work side-by-side with humans in decision-making pipelines. Thus, the ability of classifiers to make reliable decisions is of paramount importance. Deep neural networks (DNNs) represent the state-of-the-art models to address real-world classification. Although the strength of activation in DNNs is often correlated with the network’s confidence, in-depth analyses are needed to establish whether they are well calibrated. In this paper, we demonstrate the use of DNN-based classification tools to benefit cancer registries by automating information extraction of disease at diagnosis and at surgery from electronic text pathology reports from the US National Cancer Institute (NCI) Surveillance, Epidemiology, and End Results (SEER) population-based cancer registries. In particular, we introduce multiple methods for selective classification to achieve a target level of accuracy on multiple classification tasks while minimizing the rejection amount—that is, the number of electronic pathology reports for which the model’s predictions are unreliable. We evaluate the proposed methods by comparing our approach with the current in-house deep learning-based abstaining classifier. Overall, all the proposed selective classification methods effectively allow for achieving the targeted level of accuracy or higher in a trade-off analysis aimed to minimize the rejection rate. On in-distribution validation and holdout test data, with all the proposed methods, we achieve on all tasks the required target level of accuracy with a lower rejection rate than the deep abstaining classifier (DAC). Interpreting the results for the out-of-distribution test data is more complex; nevertheless, in this case as well, the rejection rate from the best among the proposed methods achieving 97% accuracy or higher is lower than the rejection rate based on the DAC. We show that although both approaches can flag those samples that should be manually reviewed and labeled by human annotators, the newly proposed methods retain a larger fraction and do so without retraining—thus offering a reduced computational cost compared with the in-house deep learning-based abstaining classifier.

59 BASIC BIOLOGICAL SCIENCES↗

Home charging for all: Techno-economic and life cycle assessment of multi-unit dwelling electric vehicle charging hubs

Ubiquitous electric vehicle adoption can drastically reduce greenhouse gas emissions (GHG) but will require equitable home charging infrastructure for all residences. Unlike single-family homes, Multi-Unit Dwellings (MUD) currently lack market share and access to nearby charging infrastructure partly due to expensive capital costs for reluctant residential property-owners. Further, this work evaluates the levelized cost of charging (LCOC) for Battery Electric Vehicles (BEVs) at MUD community charging hubs through a techno-economic analysis (TEA) that leverages real-world charging data and costs. Three different MUD charging types are investigated for a baseline and optimistic case: 1.9-kW Level 1 (L1), 6.6-kW Level 2 (L2), and 50-kW Direct Current Fast Charging (DCFC) stations under three different ownership models: resident, utility, and private company. Results demonstrate L1 and L2 chargers to be less expensive than the gasoline equivalent across the United States. Further, utility and private company ownership models, which avoid initial costs for residential property owners, result in a large LCOC premium for L1 and moderate LCOC premium for L2 relative to the resident ownership model. In contrast, DCFC is shown to be expensive for baseline scenarios but economical for optimistic scenarios especially under private company ownership. This work also performs a cradle to grave (C2G) life cycle assessment (LCA) of an average passenger BEV and gasoline conventional vehicle (CV) using yearly (grid mix & vehicle parameters), hourly (grid mix), and state-level (grid mix) resolution. Results show BEVs to have lower GHG emissions (-86% to-10%) than gasoline CVs in the contiguous U.S. Next, the system boundary of the TEA is extended to the total cost of ownership (TCO) of BEVs. The TCO is then coupled with the C2G GHG emissions to calculate the cost of GHG emissions reduction. Ultimately, the cost of GHG emissions reduction from MUD BEVs relative to gasoline CVs is shown to be negative for every scenario except baseline DCFC, meaning MUD BEV charging infrastructure can be a cost-effective endeavor to reduce GHG emissions.

33 ADVANCED PROPULSION SYSTEMS↗

Identifying recharge sources and their impacts on a North Central New Mexico shallow aquifer using unsupervised machine learning

In this article, shallow aquifers are important but highly variable resources in arid to semi-arid regions. Limited shallow aquifer volume results in high sensitivity to recharge fluctuations, which can impact the local fauna and flora, and transport of contaminants in the aquifer or vadose zone. Aquifer response to external forcing (e.g., precipitation) is usually solved by estimating aquifer parameters and running physics-based models to match known fluctuations of hydraulic head. However, this technique is time and computationally expensive. Furthermore, high aquifer complexity decreases precision in physics-based models. Alternatively supervised machine learning is used to predict aquifer dynamics. However, these techniques rely on input data and struggle to interpret aquifer response for missing sources (i.e., snowpack data). To counter these problems, we propose an unsupervised machine learning technique (NMFk) to estimate the impact of different sources on aquifer recharge. NMFk is used to understand the influence of external forcing on shallow aquifer recharge in the Pajarito Plateau (Los Alamos, NM, USA). The results show how NMFk can be used to reduce the data dimension in a complex field dataset to three recharge signals that cause fluctuations within the field data. Here, the source signals are interpreted as rainfall, snowmelt, and a delayed aquifer response to the previous two signals. These results evidence how heterogeneous aquifers delimited by canyons incised into the Pajarito Plateau respond in similar ways to the source signals identified by NMFk. Furthermore, results show the importance of the local geology where faults act as sinks, and anthropogenic disturbances can facilitate infiltration amplifying the interpreted signal.

54 ENVIRONMENTAL SCIENCES↗

What causes the variation in superconducting properties of UTe 2 ?

Reaching a consensus on the superconducting order parameter of unconventional superconductors remains a central challenge in the field of magnetically-mediated superconductivity. Though UTe 2 is largely accepted as a rare example of an odd-parity superconductor, its precise order parameter remains highly debated, even at ambient conditions. A key underlying issue is the large sample-to-sample variation in superconducting properties at zero applied pressure and magnetic field. Here, we investigate the origin of the observed variation by means of single crystal x-ray diffraction (SC-XRD) and scanning transmission electron microscopy (STEM) measurements. Our results reveal highly ordered crystalline lattices, in agreement with the expected Immm structure, and no signs of uranium vacancies. Tiny amounts of interstitial defects, however, are observed on the Te2 layers that host Te chains along the b axis. We argue that these defects give rise to slightly enhanced atomic displacement parameters observed in SC-XRD data and are enough to disrupt the unconventional superconducting state in UTe 2 . Our findings highlight the need to focus future order parameter determination efforts on single crystals of UTe 2 with minimal amounts of structural disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Insights into elevated temperature tensile deformation mechanisms and kink banding in additively manufactured tungsten

Additive manufacturing (AM) potentially enables fabrication and repair of plasma facing components (PFCs) of tungsten. However, deformation mechanisms in AM-fabricated tungsten under service-relevant thermomechanical conditions remain unknown majorly due to challenges in achieving crack-free W. This study reveals the deformation mechanisms operative under tension at 800 °C and 1200 °C in the electron beam melting powder bed fusion (EBM-PBF) fabricated W. Textured columnar grains with mixed <001 >/<111 >|| build-direction were observed. Strong anisotropy in tensile properties persisted across test temperatures, and all specimens exhibited extensive deformation-induced banding phenomena. Grain boundary character analysis of the deformed specimens indicated that these deformation bands were kink bands with tilt grain boundaries prominently present at the band-matrix interface. Interestingly, the material within the kink bands rotated toward higher resolved shear stress, providing insights into the origins of kink band formation in body-centered cubic refractory metals. Intragranular misorientation axis analysis revealed that plasticity was dominated by {110} <111 > slip at 800 °C, whereas additional (213)[11⁢̄1] and (112)[11⁢̄1] slip systems activated at 1200 °C. A dense low-angle boundary networks observed near fractured surface indicated the onset of dynamic recrystallization. Results reveal plasticity governing mechanisms in AM-fabricated W under power plant-relevant conditions, and provide insights into kink band attributes in refractory metals.

Mayes, Riley [ORNL] (ORCID:000900089307010X)↗

Probing the high-pressure densification of amorphous silica nanomaterials using SBA-15: An investigation into the paradoxical nature of the first sharp diffraction peak

The densification and X-ray scattering of mesoporous silica (SBA-15) were measured simultaneously under gigapascal (GPa) pressures. The results are compared to previous work on amorphous silica (aSiO 2 ) and demonstrate the feasibility of measuring the densification of aSiO 2 nanomaterials with small angle X-ray scattering (SAXS) in-situ in a diamond anvil cell. Compared to fused silica, the position of the SBA-15 first sharp diffraction peak (FSDP) is 7 times more sensitive to pressure and has a transition in its pressure dependance at a lower pressure (~2 GPa vs.~13 GPa). SBA-15 has two densification regimes, low-density amorphous and highdensity amorphous, which have equations of state comparable to low-density amorphous and high-density amorphous fused silica. Further, the transition between these two regimes occurs at a lower pressure than for fused silica (~1.5 GPa vs.~13 GPa). The results suggest that there is no direct relationship between the FSDP position and the aSiO 2 density during compression.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Leveraging Open-Source Tools for Collaborative Macro-energy System Modeling Efforts

The authors are founding team members of a new effort to develop an Open Energy Outlook for the United States. The effort aims to apply best practices of policy-focused energy system modeling, ensure transparency, build a networked community, and work toward a common purpose: examining possible US energy system futures to inform energy and climate policy efforts. Individual author biographies can be found on the project website: https://openenergyoutlook.org/.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Overcoming the disconnect between energy system and climate modeling

Energy system models underpin decisions by energy system planners and operators. Energy system modeling faces a transformation: accounting for changing meteorological conditions imposed by climate change. To enable that transformation, a community of practice in energy-climate modeling has started to form that aims to better integrate energy system models with weather and climate models. In this work, we evaluate the disconnects between the energy system and climate modeling communities, then lay out a research agenda to bridge those disconnects. In the near-term, we propose interdisciplinary activities for expediting uptake of future climate data in energy system modeling. In the long-term, we propose a transdisciplinary approach to enable development of (1) energy-system-tailored climate datasets for historical and future meteorological conditions and (2) energy system models that can effectively leverage those datasets. This agenda increases the odds of meeting ambitious climate mitigation goals by systematically capturing and mitigating climate risk in energy sector decision-making.

17 WIND ENERGY↗

Principles of the Battery Data Genome

Batteries are central to modern society. They are no longer just a convenience but a critical enabler of the transition to a resilient, low-carbon economy. Battery development capabilities are provided by communities spanning materials discovery, battery chemistry and electrochemistry, cell and pack design, scale-up, manufacturing, and deployments. Despite their relative maturity, data-science practices among these diverse groups are far behind the state of the art in other fields, which have demonstrated an ability to significantly improve innovation and economic impact. The negative consequences of the present paradigm include incremental improvements but few breakthroughs, significant manufacturing uncertainties, and cascading investment risks that collectively slow deployments. The primary roadblock to a battery-data-science renaissance is the requirement for large amounts of high-quality data, which are not available in the current fragmented ecosystem. Here, in this study, we identify gaps and propose principles that enable the solution by building a robust community of data hubs with standardized practices and flexible sharing options that will seed advanced tools spanning innovation to deployment. Precedents are offered that demonstrate that both public good and immense economic gains will arise from sharing valuable battery data. The proposed Battery Data Genome looks to broadly transform innovations and revolutionize their translation from research to societal impact.

25 ENERGY STORAGE↗

Feature engineering for machine learning enabled early prediction of battery lifetime

Accurate battery lifetime estimates enable accelerated design of novel battery materials and determination of optimal use protocols for longevity in deployments. Unfortunately, traditional battery testing may take years to reach thousands of cycles. Recent studies have shown that machine learning (ML) tools can predict lithium-ion battery lifetimes from 100 or fewer preliminary cycles, representing only a few weeks of cycling. Until now, conclusions about the efficacy and broad applicability of these predictions across a variety of cathode chemistries have been limited by available experimental information. In this work, we leverage a battery cycling dataset representing six cathode chemistries (NMC111, NMC532, NMC622, NMC811, HE5050, and 5Vspinel), multiple electrolyte/anode compositions, and 300 total carefully prepared pouch batteries to explore feature selection and battery chemistry's role in ML battery lifetime predictions. Here, a mean absolute error (MAE) of 78 cycles in prediction was seen for a chemistry-spanning test set from 100 preliminary cycles. Furthermore, an MAE of 103 cycles was seen when using only the first cycle. This study represents an in-depth investigation of strategies for feature selection for battery lifetime prediction, ML models' generalization across multiple battery chemistries, and predictions beyond the training set in the chemical space.

25 ENERGY STORAGE↗

A Convolutional Neural Network Model for Battery Capacity Fade Curve Prediction using Early Life Data

Herein, early prediction of battery performance degradation trends can facilitate research of new materials and cell designs, rapid deployment of batteries in real-world applications, timely replacement of batteries in critical applications, and even the secondary use market. In this study, we design a convolutional neural network model to predict the entire battery capacity fade curve - a critical indicator of battery performance degradation - using first 100 cycles of data (~ three weeks of testing). We use the discharge voltage-capacity curves as input to the model and automate the feature extraction process through the convolutional layers of the network. Our approach can predict the per cycle capacity fade rate and rollover cycle (knee point) in the capacity fade curve, which indicate the onset of rapid capacity decay. On the publicly available graphite/LiFePO 4 battery dataset, optimized networks predict the capacity fade curves, rollover cycle, and end of life with 3.7% (worst-case), 19%, and 17% mean absolute percentage errors, respectively.

25 ENERGY STORAGE↗

Effect of lattice orientation on compressive properties of selective laser sintered nylon lattice coupons

As AM lattices become more popular in medical devices, it is important to consider how lattice design parameters affect the mechanical integrity and performance of a device. This research investigated the effect of lattice orientation on the compressive mechanical response of five common lattice geometries: Hexagonal Honeycomb (Hex), Diamond, Voronoi Tessellation Method (VTM), sheet-based Gyroid, and Face-Centered-Cubic (FCC). Samples were tested at two relative densities and eight orientations, printed in Nylon 12 (PA2200) on an EOS P396. The mechanical response was compared to simulated finite element analysis (FEA) response for Hex and FCC lattices. Hex lattices displayed significant orientation dependance. Diamond lattices demonstrated some orientation dependance when at a lower relative density. Gyroid, FCC, and VTM all displayed minimal orientation dependance. Increasing lattice relative density appeared to reduce anisotropy among tested orientations of all lattice geometries except Hex. FEA simulations were able to produce a trend response that matched the mechanical response trends based on the investigated orientations. Furthermore, these results support the need for multi axial lattice mechanical test considerations. It also bolsters the need for lattice FEA models to have a sufficient comparator when identifying “worst-case” lattice test scenarios.

36 MATERIALS SCIENCE↗

Self-regulating behavior of hybrid membrane systems as demonstrated in an element-scale forward osmosis-reverse osmosis hybrid system

Hybrid membrane systems can be difficult to design due to the requisite flow rate matching between up- and downstream unit operations. In this work, we use a forward osmosis-reverse osmosis (FO-RO) hybrid system to demonstrate how some membrane systems can exhibit self-regulating behavior due to osmotic coupling. This can reduce the need for complex control systems for flow balancing. We show this behavior using a module-scale test bed that can mimic the behavior of larger scale operations. The system shows permeate flow rate near-convergence between the FO and RO modules after startup or when perturbed by a change in RO module pressure. The behavior of this hybrid system demonstrates that some membrane operations can exploit osmotic interdependence, rather than expensive control systems, to achieve steady state operation.

Debottlenecking↗