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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 505 records · Page 28

Additive Lithography–Organic Monolayer Patterning Coupled with an Area-Selective Deposition

The combination of area-selective deposition (ASD) with a patternable organic monolayer provides a versatile additive lithography platform, enabling the generation of a variety of nanoscale feature geometries. Stearate hydroxamic acid self-assembled monolayers (SAMs) were patterned with extreme ultraviolet (λ = 13.5 nm) or electron beam irradiation and developed with ASD to achieve line space patterns as small as 50 nm. Density functional theory was employed to aid in the synthesis of hydroxamic acid derivatives with optimized packing density to enhance the imaging contrast and improve dose sensitivity. Near-edge X-ray absorption fine structure spectroscopy and infrared spectroscopy reveal that the imaging mechanism is based on improved deposition inhibition provided by the cross-linking of the SAM to produce a more effective barrier during a subsequent deposition step. With patterned substrates composed of coplanar copper lines and silicon spacers, hydroxamic acids selectively formed monolayers on the metal portions and could undergo a pattern-wise exposure followed by ASD in the first combination of a patternable monolayer with ASD. This material system presents an additional capability compared to traditional ASD approaches that generally reflect a starting patterned surface. Finally, this bottoms-up additive approach to lithography may be a viable alternative to subtractive nanoscale feature generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Massive compression for high data rate macromolecular crystallography (HDRMX): impact on diffraction data and subsequent structural analysis

New higher-count-rate, integrating, large-area X-ray detectors with framing rates as high as 17400 images per second are beginning to be available. These will soon be used for specialized macromolecular crystallography experiments but will require optimal lossy compression algorithms to enable systems to keep up with data throughput. Some information may be lost. Can we minimize this loss with acceptable impact on structural information? To explore this question, we have considered several approaches: summing short sequences of images, binning to create the effect of larger pixels, use of JPEG-2000 lossy wavelet-based compression, and use of Hcompress, which is a Haar-wavelet-based lossy compression borrowed from astronomy. We also explore the effect of the combination of summing, binning, and Hcompress or JPEG-2000. In each of these last two methods one can specify approximately how much one wants the result to be compressed from the starting file size. These provide particularly effective lossy compressions that retain essential information for structure solution from Bragg reflections.

47 OTHER INSTRUMENTATION↗

Capacitated p -hub approach for park-and-ride facility location problem under nested logit demand function: polyhedral approaches

By generalizing the unconstrained p-hub approach for the park-and-ride (P&R) facility location problem under the multinomial logit demand function, the capacitated p-hub approach for the problem under the nested logit demand function captures a broader range of real-world cases. To solve this problem optimally, we introduce a mixed-integer linear program and accelerate its solution by enhancing the branch-and-cut procedure. To address the problem at a large scale, we introduce two other polyhedral approaches: variable neighborhood search (VNS) and adaptive randomized rounding (ARR). Downtown areas in Seoul have a high modal share of public transportation and congested road traffic, yet P&R has not been widely implemented. Therefore, we apply the ARR procedure to solve a real-world problem using traffic and geographic data from the Seoul metropolitan area. ARR performs better than VNS and addresses real-world cases. The solutions obtained by ARR present a phased expansion plan that encourages policymakers to start installing a small number of P&Rs immediately.

Capacitated p-hub approach↗

Picosecond measurements of plastic scintillator pulse shapes from gamma-ray interactions

An understanding of the pulse shape of organic scintillators can provide insight into scintillation mechanisms and inform the selection of the optimal detector material for a given application. Although the timing properties of organic scintillators have been extensively studied, significant discrepancies persist in reported rise and decay times. New plastic scintillating media have also been developed in recent years for which no literature data exist. The goal of this work is to provide high-precision measurements of the pulse shape of a suite of fast plastic organic scintillators from Eljen Technology—EJ-200, EJ-204, EJ-208, EJ-230, EJ-232, and EJ-232Q (with 0.5% benzophenone)—under excitation from $γ$-ray sources. The contributors to the system temporal resolution were quantified, and the dominant source of uncertainty was identified as the determination of the start time of a scintillation event. A pulse shape model was applied to the reconstructed temporal distributions, and rise and decay times were extracted and compared with manufacturer specifications. This work outlines a measurement approach to obtain the pulse shape of organic scintillators in response to $γ$-rays with temporal resolution on the order of tens of picoseconds, yielding data required for modeling plastic scintillator based detection systems for a range of applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

TEAL Output Visualization

Tool for Economic Analysis (TEAL) is an open-source economics calculation package written and maintained by Idaho National Laboratory (INL). As a plugin of the Risk Analysis Virtual ENvironment (RAVEN), TEAL provides economics analysis models to RAVEN workflow users. In addition, TEAL is used in other RAVEN plugins such as LOGOS and the Holistic Energy Resource Optimization Network (HERON) to complement other analyses with economic calculations. This report documents the efforts in developing the capability of TEAL output visualization for users to better understand and investigate TEAL simulation results. In the past, outputs (e.g., various cash flows) were generated and printed to screen. According to the need and purpose for visualization, users can select various bar charts and donut charts to visualize the cash flows including inflows, outflows, and net cash flows in each year or in a selected time range, in addition to observing data stored in comma-separated value files (CSVs). The visualization capability is flexible and user-friendly by introducing several user-defined parameters, for instance, the start and the end project year of interest and the type of colors to be assigned to the cash flows.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Automation of Vulnerability and Patch Management: Information Extraction, Association, and Optimization

Vulnerability and patch management is an integral part of a robust cybersecurity program, yet it grows increasingly complex due to the sheer amount of data that must be analyzed. Particularly in Operational Technology (OT) environments, analysis must be done manually because of the lack of automated solutions. Additionally, there are many steps in this process, from the initial discovery of the vulnerability to the implementation of its remediation, and each step in the process requires different data in order to be performed effectively. In this work, we provide approaches and strategies to assist operators in industrial or OT environments throughout the vulnerability management cycle. Security advisories provide key information about mitigation strategies, or actions that can be taken when a patch is unavailable or cannot be installed. Details of these strategies are not shared in public vulnerability databases and must be found manually. We approach this problem by designing a solution to automatically identify that information within vendor security advisories and retrieve it for operator use. We start with an approach that requires domain-specific knowledge of certain frequently-seen reference websites. Next, an approach that can work on an arbitrary website but relies on certain keywords. Finally, an approach that uses Natural Language Processing (NLP) methods and does not require specific knowledge or keywords. Each of these approaches is more general than its predecessor; we demonstrate high accuracy for all approaches Advisories also often contain details of affected products in non-standard or natural language formats. While this information can be easily understood when read by an operator, the non-standard format acts as a barrier to effective automation. We provide an approach for the first step in this process: identifying vendors in security advisories and mapping them to a standard framework for representing digital assets and software products. We evaluate five established string similarity algorithms, plus one of our own design that combines string similarity and information theory, on the task of mapping vendors to their corresponding entries in the Common Platform Enumeration (CPE) repository. Our results show that our proposed metric outperforms all others. Due to the constraints on time, finances, and personnel for organizations, Large Language Models (LLMs) may seem like attractive opportunities for security operators to speed up information gathering; however, it is still not clear whether LLMs can handle vulnerability management tasks well. To answer this question, we perform an empirical study of LLMs’ ability to provide consistent, accurate information about vulnerabilities in order to guide organizations in their adoption of LLMs. We observe poor performance for all models tested, suggesting that these models are not well-suited to the consistent retrieval of accurate vulnerability information. Finally, once vulnerabilities have been identified and any additional information has been obtained, operators must decide which remediation actions to implement based on their available resources. This already-complex problem becomes even more so when we consider that a vulnerability may have multiple avenues for remediation. We formulate this scenario as two knapsack problems and provide solutions, which we then compare against several existing strategies for vulnerability prioritization seen in real operational environments.

McClanahan, Kylie↗

Thermal Stability of the Dot-in-Well Gain Medium for Photonic Crystal Surface Emitting Lasers

Self-assembled quantum dots (QDs) embedded in InGaAs quantum wells (QWs) are used as active regions for photonic-crystal surface-emitting lasers (PCSELs). An epitaxial regrowth method is developed to fabricate the dot-in-well (DWELL) PCSELs. Here, the epitaxial regrowth starts with the growth of a partial laser structure containing bottom cladding, waveguide, active region, and the photonic crystal (PC) layer. The PC layer is patterned to realize the cavity. Subsequently a top cladding layer is regrown to complete the laser structure. During the regrowth of the top cladding layer, the partial laser structure is subjected to high growth temperatures in excess of 600 °C resulting in an unintentional annealing of the active region. This annealing of the active region can alter the QDs by changing their size resulting in a blue shift in photoluminescence (PL) and narrowing PL emission. This effect results in the misaligning of the gain peak and the cavity resonance, resulting in sub-optimal lasing performance. DWELL active regions are known to have better thermal stability compared to both QDs and QWs and could be an ideal candidate for regrown PCSELs. We successfully demonstrate an optically-pumped epitaxially-regrown DWELL PCSEL with an emission wavelength of 1230 nm operating at room temperature. Furthermore, the DWELL active region shows excellent emission wavelength stability and intensity despite the high temperature regrowth process.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Final Report for CSP Tower Public Opinion and Education Project

As part of the CSP Plant Optimization Study for the California Power Market (DE-EE0009809) the project wanted to understand the public’s opinion of the technology and and explore the types of community engagement that is needed to support such development. The initial objectives for the public perception activities were twofold. The primary objective was to gather public opinion and feedback from the communities living near the two operating solar power tower plants, Ivanpah and Crescent Dunes, and to distill lessons learned from the community engagement conducted before, during, and after the plants were developed to inform future development. This included outreach to nearby airports. The other objective was to gauge public opinion about large-scale solar, specifically CSP towers, to start educating the public on the benefits and to begin building relationships with communities of interest, initially targeting the Kingman, Arizona area. The objectives shifted after the first exploratory trip to Ivanpah and Kingman, however, as it became apparent that it would be challenging to gather public opinion from the community surrounding Ivanpah that could be useful for other community profiles, and the company wasn’t ready to address the concerns in Kingman. Another area was chosen, therefore, to represent those where future development is possible. The recently published Lawrence Berkeley National Lab Perceptions of Large-Scale Solar Project Neighbors Study exemplified public perception polling based on social science and served as the foundation for the survey questions taken to the field. The intent was to ensure that people knew their input was valued and that the time they spent was valuable for the participant as well. It has been noted in the literature that in-person interaction has greater benefits than activities online or via mail, as well as limits the expense.

14 SOLAR ENERGY↗

Research and Development Priorities for Silicon Photovoltaic Module Recycling to Support a Circular Economy

Large-scale deployment of photovoltaic (PV) modules has considerably increased in recent decades. Given an estimated lifetime of 30 years, the challenge of how to handle large volumes of end-of-life PV modules is starting to emerge. In this Perspective, we assess the global status of practice and knowledge for end-of-life management for crystalline silicon PV modules. We focus in particular on module recycling, a key aspect in the circular economy of photovoltaic panels. We recommend research and development to reduce recycling costs and environmental impacts compared to disposal while maximizing material recovery. We suggest that the recovery of high-value silicon is more advantageous than the recovery of intact silicon wafers. This approach requires the identification of contaminants and the design of purification processes for recovered silicon. The environmental and economic impacts of recycling practices should be explored with techno–economic analyses and life-cycle assessments to optimize solutions and minimize trade-offs. As photovoltaic technology advances rapidly, it is important for the recycling industry to plan adaptable recycling infrastructure.

c-Si↗

In situ observation of medium range ordering and crystallization of amorphous TiO 2 ultrathin films grown by atomic layer deposition

The evolution of medium range ordering (MRO) and crystallization behavior of amorphous TiO 2 films grown by atomic layer deposition (ALD) were studied using in situ four-dimensional scanning transmission electron microscopy. The films remain fully amorphous when grown at 120 °C or below, but they start showing crystallization of anatase phases when grown at 140 °C or above. The degree of MRO increases as a function of temperature and maximizes at 140 °C when crystallization starts to occur, which suggests that crystallization prerequires the development of nanoscale MRO that serves as the site of nucleation. In situ annealing of amorphous TiO 2 films grown at 80 °C shows enhancement of MRO but limited number of nucleation, which suggests that post-annealing develops only a small portion of MRO into crystal nuclei. The MRO regions that do not develop into crystals undergo structural relaxation instead, which provides insights into the critical size and degree of ordering and the stability of certain MRO types at different temperatures. In addition, crystallographic defects were observed within crystal phases, which likely negate corrosion resistance of the film. Our result highlights the importance of understanding and controlling MRO for optimizing ALD-grown amorphous films for next-generation functional devices and renewable energy applications.

36 MATERIALS SCIENCE↗

Transition Core Modeling for Extended Enrichment & Accident-Tolerant Fuels Using Polaris/PARCS

Commercial light water reactor (LWR) operators and fuel vendors are currently interested in increasing the low-enriched uranium (LEU) fuel enrichments from the current limit of 5.0 $^w/_o$ $^{235}U$ up to 10 $^ w/_o$ $^{235}U$ (referred to as "LEU+") in their current fleets; they are also interested in using accident-tolerant fuel (ATF) with both LEU and LEU+ fuel. This report aims to identify modeling challenges and accuracy concerns in transition core analysis using the SCALE Polaris lattice physics code and U.S. Nuclear Regulatory Commission core simulator PARCS. At the time this study was started, no publicly available LEU+ core designs existed for boiling water reactor (BWR) or pressurized water reactor (PWR) systems. Therefore, fuel lattices were shuffled within a multi-assembly model to mimic neutronically challenging lattice combinations seen in transition cores, such as a fresh LEU+ lattice next to depleted LEU lattices. In addition to multi-assembly models, whole-core BWR transition core calculations were performed for ATF and LEU+ fuel using an existing Hatch-1 Cycle 3 core model. A whole-core BWR model was chosen due to the more heterogeneous core designs compared to those for a PWR core. Since the original core is an old checkerboard core design and no core or fuel design optimization was performed for the modeled fuel types, these core calculations were intended only to provide: (1) Comparisons of core characteristics of interest, such as the pin power distributions and peaking factors, Doppler temperature coefficients (DTCs), and control blade worths (CBWs) under challenging core designs, (2) Identification of reactor physics challenges in modeling LEU+ and ATF cores, and (3) A stress test for the Polaris/PARCS two-step modeling approach, including characterization of the relative accuracy for predicting characteristics of interest such as pin power distributions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Charge-density-wave melting in the one-dimensional Holstein model

We study the Holstein model of spinless fermions, which at half filling exhibits a quantum phase transition from a metallic Tomonaga-Luttinger liquid phase to an insulating charge-density-wave (CDW) phase at a critical electron-phonon coupling strength. In our work, we focus on the real-time evolution starting from two different types of initial states that are CDW ordered: (i) ideal CDW states with and without additional phonons in the system and (ii) correlated ground states in the CDW phase. We identify the mechanism for CDW melting in the ensuing real-time dynamics and show that it strongly depends on the type of initial state. We focus on the far-from-equilibrium regime and emphasize the role of electron-phonon coupling rather than dominant electronic correlations, thus complementing a previous study of photoinduced CDW melting [H. Hashimoto and S. Ishihara, Phys. Rev. B 96, 035154 (2017)]. The numerical simulations are performed by means of matrix-product-state based methods with a local basis optimization (LBO). Within these techniques, one rotates the local (bosonic) Hilbert spaces adaptively into an optimized basis that can then be truncated while still maintaining a high precision. In this work, we extend the time-evolving block decimation (TEBD) algorithm with LBO, previously applied to single-polaron dynamics, to a half-filled system. We demonstrate that in some parameter regimes, a conventional TEBD method without LBO would fail. Furthermore, we introduce and use a ground-state density-matrix renormalization group method for electron-phonon systems using local basis optimization. In our examples, we account for up to M ph =40 bare phonons per site by working with O(10) optimal phonon modes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Accelerator Physics at NSLS-II: Research Accomplishments in 2022

NSLS-II accelerator physicists are working on scientific support of the NSLS-II operations and start-up of the accelerator systems including Storage Ring, Injector, beam diagnostics, and top-off injection; improvement of beam stability and orbit feedbacks; commissioning of a superconducting wiggler for the HEX beamline; development of a new operation mode for time-resolved experiments. The routine lattice characterization is continued to keep tracking the machine, the storage ring lattice model including strong coupling is developed, and seasonal variations of the ring circumference are studied. The collaboration with the EIC project is ongoing. In the frameworks of three LDRD projects, the physicists are working on the lattice development, studies of collective effects, and specifications of alignment and stability for the NSLS-II accelerator upgrade; novel methods of lattice design and optimization; studies of free-electron laser options; ultrafast electron diffraction and microscopy. Research accomplishments achieved in 2022, are summarized in this report.

43 PARTICLE ACCELERATORS↗

Quantifying Leaf Chlorophyll Concentration of Sorghum from Hyperspectral Data Using Derivative Calculus and Machine Learning

Leaf chlorophyll concentration (LCC) is an important indicator of plant health, vigor, physiological status, productivity, and nutrient deficiencies. Hyperspectral spectroscopy at leaf level has been widely used to estimate LCC accurately and non-destructively. This study utilized leaf-level hyperspectral data with derivative calculus and machine learning to estimate LCC of sorghum. We calculated fractional derivative (FD) orders starting from 0.2 to 2.0 with 0.2 order increments. Additionally, 43 common vegetation indices (VIs) were calculated from leaf spectral reflectance factor to make comparisons with reflectance-based data. Within the modeling pipeline, three feature selection methods were assessed: Pearson’s correlation coefficient (PCC), partial least squares based variable importance in the projection (VIP), and random forest-based mean decrease impurity (MDI). Finally, we used partial least squares regression (PLSR), random forest regression (RFR), support vector regression (SVR), and extreme learning regression (ELR) to estimate the LCC of sorghum. Results showed that: (1) increasing derivative order can show improved model performance until certain order for reflectance-based analysis; however, it is inconclusive to state that a particular order is optimal for estimating LCC of sorghum; (2) VI-based modeling outperformed derivative augmented reflectance factor-based modeling; (3) mean decrease impurity was found effective in selecting sensitive features from large feature space (reflectance-based analysis), whereas simple Pearson’s correlation coefficient worked better with smaller feature space (VI-based analysis); and (4) SVR outperformed all other models within reflectance-based analysis; alternatively, ELR with VIs from original reflectance yielded slightly better results compared to all other models.

47 OTHER INSTRUMENTATION↗

Ozone mitigates extended growing season and enhanced vegetation greenness driven by environmental change

Rising temperature and elevated CO 2 concentrations lead to extended growing seasons and enhanced vegetation greenness in terrestrial ecosystems, especially across the Northern Hemisphere. However, whether and to what extent surface ozone, an anthropogenic environmental factor, affects vegetation phenology and greenness remains unexplored at a large scale. Integrating ground-based ozone observations with multiple satellite observations, we demonstrate that surface ozone significantly shortened the growing season by delaying start of season and advancing end of season. Additionally, ozone reduced growing-season vegetation greenness, as reflected in decreased annual accumulated Enhanced Vegetation Index and maximum Enhanced Vegetation Index. These impacts show pronounced spatial heterogeneity, varying in magnitude across the United States, Europe, and China over the past decade, highlighting ozone’s diverse impact on vegetation across regions. Our study predicts that continuously increasing surface ozone concentration will mitigate warming-driven lengthening the growing season by 2 to 4 days, reduce maximum Enhanced Vegetation Index by 0.4% to 8.3%, and reduce annual accumulated Enhanced Vegetation Index by 1.0% to 5.6% in 2050 under Shared Socioeconomic Pathway 5-8.5 scenario. Our findings highlight the imperative need for strategic surface ozone regulation to optimize vegetation health and maximize the capacity for carbon sequestration.

Yin, Hao [Vanderbilt Univ., Nashville, TN (United ↗

Predicting initial trans-membrane pressure across cycles in the ultrafiltration process using random forest

With growing freshwater scarcity, direct potable reuse (DPR) systems that reclaim wastewater for drinking are becoming increasingly important for sustainable water supply. Reliable operation requires minimizing downtime in ultrafiltration (UF) units, where membrane fouling leads to elevated trans-membrane pressure (TMP). This study develops data-driven regression models based on random forest (RF) and autoregressive (AR) approaches to forecast the initial TMP at the start of each UF filtration cycle in a pilot-scale DPR system. The RF model consistently outperforms baseline methods, including historical mean, last observation carried forward, and AR models, across multiple forecast horizons, achieving the lowest root mean square error. To evaluate how different classes of process variables contribute to TMP dynamics over time, we examine the feature importance of independent input variables across multiple forecast horizons. This analysis provides insight into the temporal relevance of operational and sensor-derived features, guiding control and monitoring strategies. Additionally, the impact of hyperparameter tuning on TMP prediction performance is assessed for both direct and recursive RF modelling approaches. The proposed RF framework establishes a robust foundation for predictive monitoring and real-time optimization of UF operations, supporting sustainable and reliable water reuse.

direct potable reuse↗

The impact of development priorities on power system expansion planning in sub-Saharan Africa

Sub-Saharan Africa faces unique barriers to electricity development due to the large proportion of the population that is un-electrified and the prevalence of rural populations. Typically, power system expansion planning models assume all potential consumers can be immediately electrified. This assumption is unrealistic in sub-Saharan Africa, where electrification will likely be a gradual process over a number of years. Furthermore, since a large proportion of the population in sub-Saharan Africa is located in rural regions, the prioritization of these regions may impact how the grid develops. In this research, we develop a multi-period optimization model for power generation and transmission system expansion planning in sub-Saharan Africa. In contrast to existing models, which assume full electrification, we consider a variety of electrification policies and analyze the impact of varying the electrification rate and policy on the cost and resources selected for power system expansion. We test our model on a case study of Rwanda. We find that varying the year in which full electrification is reached has a larger impact on cost and generation capacity than varying the electrification policy does, although, when urban and rural regions are considered equitably, more rooftop solar is built. Varying the electrification policies has a larger impact on transmission expansion than on generation expansion and this impact is amplified when starting from zero initial system capacity rather than the original Rwanda system. Additionally, a sensitivity analysis shows that tightening the bounds on CO 2eq emissions has a large impact on the generation portfolio and cost.

97 MATHEMATICS AND COMPUTING↗

The Sixth Data Release of the Radial Velocity Experiment (Rave). II. Stellar Atmospheric Parameters, Chemical Abundances, and Distances

We present part 2 of the sixth and final Data Release (DR6) of the Radial Velocity Experiment (Rave), a magnitude-limited (9<I<12) spectroscopic survey of Galactic stars randomly selected in Earth’s southern hemisphere. The Rave medium-resolution spectra (R ∼ 7500) cover the Ca triplet region (8410–8795 Å) and span the complete time frame from the start of Rave observations on 2003 April 12 to their completion on 2013 April 4. In the second of two publications, we present the data products derived from 518,387 observations of 451,783 unique stars using a suite of advanced reduction pipelines focusing on stellar atmospheric parameters, in particular purely spectroscopically derived stellar atmospheric parameters (T{sub eff}, logg, and the overall metallicity), enhanced stellar atmospheric parameters inferred via a Bayesian pipeline using Gaia DR2 astrometric priors, and asteroseismically calibrated stellar atmospheric parameters for giant stars based on asteroseismic observations for 699 K2 stars. In addition, we provide abundances of the elements Fe, Al, and Ni, as well as an overall [α/Fe] ratio obtained using a new pipeline based on the GAUGUIN optimization method that is able to deal with variable signal-to-noise ratios. The Rave DR6 catalogs are cross-matched with relevant astrometric and photometric catalogs, and are complemented by orbital parameters and effective temperatures based on the infrared flux method. The data can be accessed via the Rave website (http://rave-survey.org) or the Vizier database.

79 ASTRONOMY AND ASTROPHYSICS↗