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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 955 records · Page 53

Evaluation of obstacle modelling approaches for resource assessment and small wind turbine siting: case study in the northern Netherlands

Abstract. Growth in adoption of distributed wind turbines for energy generation is significantly impacted by challenges associated with siting and accurate estimation of the wind resource. Small turbines, at hub heights of 40 m or less, are greatly impacted by terrestrial obstacles such as built structures and vegetation that can cause complex wake effects. While some progress in high-fidelity complex fluid dynamics (CFD) models has increased the potential accuracy for modelling the impacts of obstacles on turbulent wind flow, these models are too computationally expensive for practical siting and resource assessment applications. To understand the efficacy of available models in situ, this study evaluates classic and commonly used methods alongside new state-of-the-art lower-order models derived from CFD simulations and machine learning approaches. This evaluation is conducted using a subset of an extensive original dataset of measurements from more than 300 operational wind turbines in the northern Netherlands. The results show that data-driven methods (e.g. machine learning and statistical modelling) are most effective at predicting production at real sites with an average error in annual energy production of 2.5 %. When sufficient data may not be available de novo to support these data-driven approaches, models derived from high-fidelity simulations show promise and reliably outperform classic methods. On average these models have 6.3 %–11.5 % error compared with 26 % for classic methods and 27 % baseline error for reanalysis data without obstacle correction. While more performant on average, these methods are also sensitive to the quality of obstacle descriptions and reanalysis inputs.

17 WIND ENERGY↗

Dataset for "Climatic and socioeconomic drivers of water use and their spatio-temporal patterns for small and mid-sized cities in the Contiguous United States"

This dataset contains all code for calibrating and analyzing machine learning models for "Climatic and socioeconomic drivers of water use and their spatio-temporal patterns for small and mid-sized cities in the Contiguous United States". Please unzip the folders and follow the instructions from 'README.txt'. Required python modulessklearn=1.2.2numpy=1.23.3xgboost=2.0.2joblib=1.2.0 Required R libraryshapFlex:devtools::install_github("nredell/shapFlex")library(shapFlex)

Dave, Hari [Civil and Environmental Engineering De↗

Tracing the Emergence of Collectivity Phenomena in Small Systems

We study initial state momentum correlations and event-by-event geometry in p+Pb collisions at $\sqrt{2}$ = 5.02 TeV by following the approach of extending the IP-Glasma model to 3D using JIMWLK rapidity evolution. On examining the non-trivial rapidity dependence of the observables, we find that the geometry is correlated over large rapidity intervals, while the initial state momentum correlations have a relatively short range in rapidity. Based on our results, we discuss implications for the relevance of both effects in explaining the origin of collective phenomena in small systems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Conformational and oligomeric states of SPOP from small-angle X-ray scattering and molecular dynamics simulations

Speckle-type POZ protein (SPOP) is a substrate adaptor in the ubiquitin proteasome system, and plays important roles in cell-cycle control, development, and cancer pathogenesis. SPOP forms linear higher-order oligomers following an isodesmic self-association model. Oligomerization is essential for SPOP’s multivalent interactions with substrates, which facilitate phase separation and localization to biomolecular condensates. Structural characterization of SPOP in its oligomeric state and in solution is, however, challenging due to the inherent conformational and compositional heterogeneity of the oligomeric species. Here, we develop an approach to simultaneously and self-consistently characterize the conformational ensemble and the distribution of oligomeric states of SPOP by combining small-angle X-ray scattering (SAXS) and molecular dynamics (MD) simulations. We build initial conformational ensembles of SPOP oligomers using coarse-grained molecular dynamics simulations, and use a Bayesian/maximum entropy approach to refine the ensembles, along with the distribution of oligomeric states, against a concentration series of SAXS experiments. Our results suggest that SPOP oligomers behave as rigid, helical structures in solution, and that a flexible linker region allows SPOP’s substrate-binding domains to extend away from the core of the oligomers. Additionally, our results are in good agreement with previous characterization of the isodesmic self-association of SPOP. In the future, the approach presented here can be extended to other systems to simultaneously characterize structural heterogeneity and self-assembly.

59 BASIC BIOLOGICAL SCIENCES↗

Enhanced Laser–Energy Coupling with Small-Spot Distributed Phase Plates (SG5-650) in OMEGA DT Cryogenic Target Implosions

Cryogenic deuterium–tritium ice target implosions on OMEGA with new small-spot ("SG5-650") distributed phase plates (DPP's) achieved an (11 +/- 4)% increase in energy coupling compared to implosions with standard-spot DPP's by decreasing the ratio of the laser spot diameter to the target diameter from 0.93 to 0.75. The SG5-650 DPP's provide a focus spot size of 674 um, which is defined as the diameter that encircles 95% of the measured beam energy compared to 834 um for the SG5-850. The hydrodynamic effciency, defined as the ratio of the kinetic energy in the imploding shell to the laser energy, increased from 4.5% to 5.0% based on radiation-hydrodynamic calculations benchmarked to shell trajectory and bang-time measurements. The higher coupling came with a trade-off of an increased hot-electron production as well as increased hydrodynamic instabilities seeded by a larger mode-10 amplitude from the beam port geometry, both of which may have affected the fusion neutron production and areal density.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Small signaling peptides, phylogenetic analysis

ML Phylogenetic analysis of small signaling peptides in Arabidopsis, Sorghum bicolor, Rice, Wheat, Maize, and Brachypodium. Sorghum only phylogenetic trees were used to name genes. All trees but RALF tree are rooted at midpoint.

Kurtz, Evan [Department of Biochemistry and Biophy↗

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Computationally-Aided Design of a Small-Scale Radioactive Waste Glass Melter

To provide mission support to the Hanford Waste Immobilization and Treatment Plant for the vitrification of legacy nuclear tank waste, a reduced-scale vitrification pilot system is being designed to process simulated and actual radioactive tank wastes. The tank waste will be separated into high-level waste (HLW) and low-activity waste (LAW) fractions, where the majority by mass (~90%) is LAW and by activity (>95%) is HLW. The first tank waste to be processed at the WTP will be LAW. Since Hanford tank waste and the resultant melter feed compositions are known to vary widely, pilot-scale operations are essential to identify potential problems, provide needed data, confirm assumptions, and determine impacts to full-scale melters and off-gas systems from these different feeds. In addition, the reduced-scale melter system must be capable of quickly providing results to operations without the typically high costs of radioactive operations and provide an engineering platform in close proximity to local operations staff. The objective is to produce similar process conditions to those encountered in the full-scale LAW melters and minimize the volume of radioactive waste necessary for the evaluations. To this end, melter design features are being explored to increase production without significantly increasing surface area, melter glass volumes or compromising data quality. In support of these objectives, a set of computational fluid dynamic models have been developed to provide insight into the flow patterns within these small melters and evaluate design features to increase production without significantly increasing glass inventory. Computed velocities were evaluated at the interface between the cold cap and the molten glass pool and within the bulk glass pool. A method was developed to correlate results to an estimated melt rate and down-select design features that produce the highest gains.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Small RNAs at the Interface of the Plant-Fungal Interactions

Fungi and plants interact in a myriad of ways. These interactions range from mutualism to parasitism, and yet, many plant species appear to use similar tools to deal with both. One recent observation is the role that small RNAs play in mediating the conversation between plant and fungus. Increasingly, many studies demonstrate these RNAs are pivotal modulators, reprogramming gene expression and cellular processes essential to the biogenesis of these inter-kingdom relationships.

59 BASIC BIOLOGICAL SCIENCES↗

Small molecule dye for molecular imaging and photothermal therapy

Disclosed is a small molecule dye for use in imaging in the near-infrared window, namely between 1000 nm-1700 nm wavelength. The present dyes are also useful for photoacoustic imaging and photothermal therapy. The dyes have a structure of a D-A-D (donor-acceptor-donor) fluorescent compound core and side chains rendering the compounds water soluble and easily conjugated to hydrophilic polymers and/or targeting ligands. Further disclosed is compound, CH1055 that can be PEGylated, conjugated to a targeting ligand, or conjugated to taurine. Key steps utilized to assemble the core structure of the target included a cross-Suzuki coupling reaction, iron reduction and N-thionylaniline induced ring closure. Four carboxylic acid groups were introduced into the donor-acceptor-donor (D-A-D) type fluorescent compound to impart a certain aqueous solubility and to allow facile conjugation to targeting ligands.

Cheng, Zhen↗

Preparation of a Deuterated Membrane Protein for Small-Angle Neutron Scattering

This chapter outlines a protocol developed to prepare a purified deuterated membrane protein for a small-angle neutron scattering (SANS) experiment. SANS is a noninvasive technique well suited to studying membrane protein solution structures, and deuteration enhances the signal from the protein over the background (Breyton et al., Eur Phys J E Soft Matter 36 (7):71, 2013; Garg et al., Biophys J 101 (2):370–377, 2011). We present our workflow: transformation of our plasmid into E. coli, cell growth and expression of our deuterated protein, membrane isolation, detergent solubilization, protein purification, purity assessment, and final preparation for SANS.

Wu, Yuqi↗

Simulating Large PEPs Tensor Networks on Small Quantum Devices

We systematically map low bond dimension PEPs tensor networks to quantum circuits. By measuring and reusing qubits, we are in principle able to simulate an N×M square lattice PEPs network (for arbitrary M) of bond dimension 2 using N+ 2 qubits. We then seek to determine if this mapping can yield useful values for long-range loop observables in the presence of quantum device noise in the topological Wen plaquette model by mapping a 3×3 PEPs tensor network to a 5-qubit quantum circuit and executing it on the Honeywell System Model H1-1 trapped-ion device. We find that, for this system size, the noisy observable values are indeed sufficient for diagnosing topological vs. trivial order as the Wen model is perturbed by a magnetic field term in the Hamiltonian. We provide an overview of the experimental procedure and its results. We then explain in greater detail our method for mapping 2D tensor networks to quantum circuits and its scaling properties. This serves as a proof-of-concept of the utilty of the measure-and-reuse approach for simulating large 2D quantum systems on small quantum devices.

MacCormack, Ian↗

High efficiency small molecule tandem photovoltaic devices

A high efficiency small molecule tandem solar cell is disclosed. The tandem cell may include a first subcell comprising a first photoactive region and a second subcell comprising a second photoactive region. The first and second photoactive regions are designed to minimize spectral overlap and maximize photocurrent. The device may further include an interconnecting layer, disposed between the first subcell and the second subcell, that is at least substantially transparent.

Forrest, Stephen R.↗

High efficiency multi-junction small-molecule photovoltaic devices

High efficiency multi-junction small-molecule organic photovoltaic devices and methods of fabricating the same are disclosed herein. Design considerations for improving spectral coverage and light-harvesting efficiency using the multi-junction devices are also disclosed.

Forrest, Stephen R.↗

Software and Computing for Small HEP Experiments

This white paper briefly summarized key conclusions of the recent US Community Study on the Future of Particle Physics (Snowmass 2021) workshop on Software and Computing for Small High Energy Physics Experiments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Small molecule inhibitors for treatment of alpha viruses

An in vitro assay was designed to measure the activity of the alphavirus non-structural protein 2 (nsP2), which is the viral protease and is required for viral replication. By taking advantage of fluorescence-resonance energy transfer between two proteins, a protease cleavage assay was generated. This was utilized for high-throughput screening of 40,000 small molecules. Inhibitors were validated using cell-based assays to measure alphavirus infection and cytotoxicity. Certain compounds were then characterized for anti-viral efficacy in various cell lines in numerous assays. Compounds were tested against Chikungunya virus, Venezuelan Equine Encephalitis virus, Rift Valley Fever virus, and Zika virus. Three compounds (compounds I, II, and III) showed pan-alphavirus anti-viral efficacy at concentrations that did not result in cell toxicity. An additional compound, structure IV, showed broad spectrum inhibition of all viruses tested. Pharmaceutical preparations and methods of treatment including these compounds are provided herein.

60 APPLIED LIFE SCIENCES↗