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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 577 records · Page 32
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Accelerating Low-Income Financing and Transactions (LIFT) for Solar Access Everywhere (Final Technical Report)

The Accelerating Low-Income Financing and Transactions (LIFT) for Solar Access Everywhere project’s goal was to expand Low-to-Moderate Income (LMI) solar access for homeowners and renters. The LIFT project researched and gathered data on 453 LMI community solar project across the country. Following three years of research, the project delivered three groundbreaking research papers in June 2022, focused on 1) customer experience, 2) the growth of community solar programs, and 3) project-level financial best practices for serving LMI communities. These were followed by a user-friendly web-based Toolkit allowing users to interact with project data and key findings in November 2022. The customer experience research examined community solar subscribers’ primary motivations to join and remain satisfied with projects. Our research identified 453 projects across the country that dedicated some portion of the system capacity to LMI households. Seventeen of these projects participated in the LIFT customer experience research, allowing the project team to survey their customers and gain insight into how LMI subscribers feel about community solar and the programs that serve them. Subscribers in our sample indicated that the most critical issue that motivated them to participate in their program, however, was not savings but helping the environment. This was true for both LMI and non-LMI subscribers. Helping the environment was also the most important issue for LMI subscribers to measure how well their program was working for them. LIFT also explored how rapidly community solar has grown since its inception in 2006, publishing results in the Growth of U.S. Community Solar Serving LMI Households report. The results showed that community solar projects serving LMI households are one of the fastest growing segments of the solar industry. The report identifies and recommends ways developers should overcome real or perceived risks to LMI customer acquisition and subscriber management. Through the analysis of community solar project finance research, LIFT showed that most community solar projects serving LMI households are financed in the same ways mainstream community solar projects are financed. The value stacks and financial returns are no different, although LMI inclusion and participation rate varied across programs in our sample, ranging from between 10% and 100%. Based on the findings from the LIFT research, the team built a web-based user-friendly Toolkit, consisting of case studies, project finance best practices, and several tools built around the national dataset of 453 community solar projects that serve LMI households. These allow users to engage with the dataset in multiple ways; to explore the landscape of LMI community solar in the U.S., and to design community solar projects to optimize LMI inclusion, equity, and savings levels. The Toolkit also includes a library of LIFT-generated and LIFT-curated resources for users to learn more about how to best serve LMI communities through community solar. LIFT officially published the Toolkit on October 31, 2022, followed by a launch event (public webinar) on November 17, 2022. The core LIFT partners continue to engage in outreach and dissemination efforts to promote the LIFT Toolkit and research publications. Our driving motivation is to continue enabling solar developers to leverage the findings of this three-year research effort. By implication, the LIFT Toolkit is designed for use by utilities, energy service providers, and financiers or investors as a learning and decision-making tool to rapidly scale project models that optimize LMI inclusion and maximize real household savings.

14 SOLAR ENERGY↗
NASA NTRS2011

TPSAS-NF1676L-13037-DND

Mineral dust has a significant and uncertain role in the direct aerosol radiative forcing of climate. Spaceborne lidars such as CALIOP help reduce these uncertainties through vertical profile measurements of aerosol optical properties. One current limitation to the accurate retrieval of aerosol extinction and optical depth from CALIOP is the assumed relationship between the aerosol extinction to aerosol backscatter (i.e. the extinction-to-backscatter ratio, also referred to here as the lidar ratio or Sa). This problem is especially acute at 1064 nm, where few estimates of the lidar ratio exist. This study uses a dataset of eight underflights of CALIOP during August 2010 by the NASA Langley Research Center airborne High Spectral Resolution Lidar (HSRL) to study Saharan dust transported across the Atlantic Ocean. The standard HSRL profile products include aerosol backscatter coefficients and depolarization ratios at both 532 nm and 1064 nm, and aerosol extinction coefficients (and therefore also lidar ratios) at 532 nm only. In this work, we further derive estimates of aerosol lidar ratios and extinction coefficients at 1064 nm via application of a two-wavelength technique that uses the 532 nm aerosol backscatter coefficients and the 1064 nm attenuated total backscatter profile. Summary statistics of the dust lidar ratio and depolarization at 532 nm and 1064 nm from these eight flights are presented. Implications for the CALIOP dust and polluted dust aerosol types and lidar ratio selection are discussed. In addition to the two-wavelength retrievals of lidar ratio at 1064 nm, a demonstration case of a 1064 nm lidar ratio retrieval over the ocean from CALIOP using the CloudSat measurement of surface scattering cross section as a constraint is presented (Josset et al, 2010).

Raymond R Rogers↗
DOE OSTI2021

Development of Time Lapse VSP Integration Workflow: A Case Study at Farnsworth CO2-EOR Project

Abstract This study aims to develop a 4D Vertical Seismic Profile (VSP) integration workflow to improve the prediction of subsurface stress changes. The selected study site is a 5-spot pattern within the ongoing CO2-EOR operations at the Farnsworth Field Unit FWU in Ochiltree County, Texas. The specific pattern has undergone extensive geological and geomechanical characterization through the acquisition of 3D seismic data, geophysical well logs, and core. This workflow constrains a numerical hydromechanical model by applying a penalty function formed between "modeled" versus "observed" time-lapse compressional and shear seismic velocity changes. Analyses of geophysical logs and ultra-sonic measurements on core exhibit measurable sensitivities to changes in both fluid saturation and mean effective stress. These data are used to develop a site-specific rock physics model and stress-velocity relationship, which inform the numerical models used to generate the "modeled" portion of the penalty function. The "observed" portion of the penalty function is provided by a novel elastic full-waveform inversion of the available 3D baseline and three monitor surveys to produce high-quality estimates of time-lapse compressional and shear seismic velocity changes. The modeling workflow accounts sequentially for fluid substitution and stress impacts. Hydrodynamic and geomechanical properties of the 3D coupled numerical model are estimated through geostatistical integration of well log and core data with 3D seismic inversion products. Changes in seismic velocities due to fluid substitution are computed using the Biot-Gassmann workflow and site-specific rock physics. Stress impacts on time-lapse seismic velocity changes are modeled from the effective stress output of the hydromechanical model and are initially based on the velocity versus effective stress relationship extracted from core mechanical testing. Based on the principle of superposition of seismic wavefields, seismic velocity changes attributed to fluid substitution and that due to changes in mean effective stress are treated as linearly additive. The modeled results are upscaled using Backus averaging to reconcile scale discrepancies between the modeled and measured datasets to formulate the penalty function. This manuscript presents the forward modeling process and concludes that for the base case, the seismic velocity changes due to mean effective stress dominates over the seismic velocity changes attributed to fluid substitution because of the extensive range of the pressure perturbations. Successful minimization of this penalty function calibrates the coupled hydrodynamic geomechanical numerical model and affirms the suitability of acoustic time-lapse measurements such as 4D-VSP for geomechanical calibration.

02 PETROLEUM↗
DOE OSTI2020

Chemometric modeling of power conversion efficiency of organic dyes in dye sensitized solar cells for the future renewable energy

The present study reports chemometric modeling of power conversion efficiency (PCE) of dye sensitized solar cells (DSSCs) using the biggest available data set till date which comprises around 1200 dyes covering 7 chemical classes. To extract the best structural features required for higher PCE, we have developed multiple partial least squares (PLS) quantitative structure-property relationship (QSPR) models for the Triphenylamine, Phenothiazine, Indoline, Porphyrin, Coumarin, Carbazole and Diphenylamine chemical classes using descriptors derived from the best subset selection method followed by selection of best five models in each dataset based on the Mean Absolute Error (MAE) values. The models were validated both internally and externally followed by the consensus predictions employing “Intelligent Consensus Predictor” tool to examine whether the quality of predictions can be improved with the “intelligent” selection of multiple PLS models. The quality of predictions for the respective external sets showed that the consensus models (CM) are better than the individual models (IM) in most of the cases. From the insights of the developed models, we concluded that attributes like a packed structure toward higher conductivity of electrons, auxiliary donor fragment of aromatic tertiary amines, number of thiophenes inducing the bathochromic shift and augmenting the absorption, presence of additional electron donors, enhancement of electron-donating abilities, number of non-aromatic conjugated C(sp 2 ) which helps as conjugation extension units to broaden the absorption and highly conjugated $π$-systems exert positive contributions to the PCE. On the contrary, features negatively contributing to PCE are the followings: fragments which lower the tendency of localized $π–π*$ transition, fragments related to larger volume and surface area of dyes along with hydrophobicity resulting in poor adhesion, fragment RC = N causing dye hydrolysis, steric hindrance for π electronic mobility, fragments enhancing polarity, etc. Finally, the identified features from the best QSPR model of the coumarin dataset was employed in designing of ten more efficient coumarin dyes (predicted %PCE ranging from 8.93 to 10.62) than the existing ones.

14 SOLAR ENERGY↗
DOE OSTI2022

CEAZ: Accelerating Parallel I/O Via Hardware-Algorithm Co-Designed Adaptive Lossy Compression

As supercomputers continue to grow to exa-scale, the amount of data that needs to be saved or transmitted is exploding. To this end, many previous works have studied using error-bounded lossy compressors to reduce the data size and improve the I/O performance. However, little work has been done for effectively offloading lossy compression onto FPGA-based SmartNICs to reduce the compression overhead. In this paper, we propose a hardware-algorithm co-design of efficient and adaptive lossy compressor for scientific data on FPGAs (called CEAZ) to accelerate parallel I/O. Our contribution is fourfold: (1) We propose an efficient Huffman coding approach that can adaptively update Huffman codewords online based on codewords generated offline (from a variety of representative scientific datasets). (2) We derive a theoretical analysis to support a precise control of compression ratio under an error-bounded compression mode, enabling accurate offline Huffman codewords generation. This also help us create a fixed-ratio compression mode for consistent throughput. (3) We develop an efficient compression pipeline by adopting cuSZ’s dual-quantization algorithm to our hardware use case. (4) We evaluate CEAC on five real-world datasets with both a single FPGA board and 256 nodes from Bridges2 supercomputer. Experiments show that CEAZ outperforms the second-best FPGA-based lossy compressor by 2× of throughput and 9.6× of compression ratio. It also improves MPI_File_write and MPI_Gather throughputs by up to 32.7× and 31.4×, respectively.

Zhang, Chengming↗
DOE OSTI2019

A Method for Integrating an UBEM with GIS for Spatiotemporal Visualization and Analysis

Leveraging Geographic Information Systems (GIS) for spatiotemporal visualization and analysis of simulated UBEM datasets and real-world data simultaneously can assist in identifying opportunities, as well as potential barriers, to energy efficient and climate adaptation strategies. However, current GIS-based models that support interactive exploration of adaptation strategies and future scenarios are scarce and do not easily incorporate building energy use data for visual analysis over time. This paper describes a workflow to integrate simulated building energy consumption data associated with variable energy efficiency scenarios within a GIS platform for interactive spatiotemporal visualization to support climate adaptation decision-making. The contribution of the work presented is in the ability to selectively view and analyze simulated building energy performance data layered with other real-world geospatial data through an automated feedback loop between an UBEM and ArcGIS. An interactive interface is designed in ArcGIS to enable users to explore building performance scenarios spatially and over time. Using a downtown neighborhood in Syracuse, New York, USA, as a case study, preliminary results demonstrate how the workflow provides insight into existing energy use issues and potential for implementing strategies such as energy load shifting or building retrofits. A discussion includes opportunities as well as challenges to the workflow in facilitating understanding of urban energy model outputs by multiple stakeholders in evaluating potential energy efficient strategies.

ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION↗
DOE OSTI2022

Modeling receptor flexibility in the structure-based design of KRAS G12C inhibitors

KRAS has long been referred to as an ‘undruggable’ target due to its high affinity for its cognate ligands (GDP and GTP) and its lack of readily exploited allosteric binding pockets. Recent progress in the development of covalent inhibitors of KRAS G12C has revealed that occupancy of an allosteric binding site located between the α3-helix and switch-II loop of KRAS G12C —sometimes referred to as the ‘switch-II pocket’—holds great potential in the design of direct inhibitors of KRAS G12C . In studying diverse switch-II pocket binders during the development of sotorasib (AMG 510), the first FDA-approved inhibitor of KRAS G12C , we found the dramatic conformational flexibility of the switch-II pocket posing significant challenges toward the structure-based design of inhibitors. Here, we present our computational approaches for dealing with receptor flexibility in the prediction of ligand binding pose and binding affinity. For binding pose prediction, we modified the covalent docking program CovDock to allow for protein conformational mobility. This new docking approach, termed as FlexCovDock, improves success rates from 55 to 89% for binding pose prediction on a dataset of 10 cross-docking cases and has been prospectively validated across diverse ligand chemotypes. For binding affinity prediction, we found standard free energy perturbation (FEP) methods could not adequately handle the significant conformational change of the switch-II loop. We developed a new computational strategy to accelerate conformational transitions through the use of targeted protein mutations. Using this methodology, the mean unsigned error (MUE) of binding affinity prediction were reduced from 1.44 to 0.89 kcal/mol on a set of 14 compounds. These approaches were of significant use in facilitating the structure-based design of KRAS G12C inhibitors and are anticipated to be of further use in the design of covalent (and noncovalent) inhibitors of other conformationally labile protein targets.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Oxygen distribution in tumors: A qualitative analysis and modeling study providing a novel Monte Carlo approach

Purpose: To construct a Monte Carlo (MC)-based simulation model for analyzing the dependence of tumor oxygen distribution on different variables related to tumor vasculature [blood velocity, vessel-to-vessel proximity (vessel proximity), and inflowing oxygen partial pressure (pO{sub 2})]. Methods: A voxel-based tissue model containing parallel capillaries with square cross-sections (sides of 10 μm) was constructed. Green's function was used for diffusion calculations and Michaelis-Menten's kinetics to manage oxygen consumption. The model was tuned to approximately reproduce the oxygenational status of a renal carcinoma; the depth oxygenation curves (DOC) were fitted with an analytical expression to facilitate rapid MC simulations of tumor oxygen distribution. DOCs were simulated with three variables at three settings each (blood velocity, vessel proximity, and inflowing pO{sub 2}), which resulted in 27 combinations of conditions. To create a model that simulated variable oxygen distributions, the oxygen tension at a specific point was randomly sampled with trilinear interpolation in the dataset from the first simulation. Six correlations between blood velocity, vessel proximity, and inflowing pO{sub 2} were hypothesized. Variable models with correlated parameters were compared to each other and to a nonvariable, DOC-based model to evaluate the differences in simulated oxygen distributions and tumor radiosensitivities for different tumor sizes. Results: For tumors with radii ranging from 5 to 30 mm, the nonvariable DOC model tended to generate normal or log-normal oxygen distributions, with a cut-off at zero. The pO{sub 2} distributions simulated with the six-variable DOC models were quite different from the distributions generated with the nonvariable DOC model; in the former case the variable models simulated oxygen distributions that were more similar to in vivo results found in the literature. For larger tumors, the oxygen distributions became truncated in the lower end, due to anoxia, but smaller tumors showed undisturbed oxygen distributions. The six different models with correlated parameters generated three classes of oxygen distributions. The first was a hypothetical, negative covariance between vessel proximity and pO{sub 2} (VPO-C scenario); the second was a hypothetical positive covariance between vessel proximity and pO{sub 2} (VPO+C scenario); and the third was the hypothesis of no correlation between vessel proximity and pO{sub 2} (UP scenario). The VPO-C scenario produced a distinctly different oxygen distribution than the two other scenarios. The shape of the VPO-C scenario was similar to that of the nonvariable DOC model, and the larger the tumor, the greater the similarity between the two models. For all simulations, the mean oxygen tension decreased and the hypoxic fraction increased with tumor size. The absorbed dose required for definitive tumor control was highest for the VPO+C scenario, followed by the UP and VPO-C scenarios. Conclusions: A novel MC algorithm was presented which simulated oxygen distributions and radiation response for various biological parameter values. The analysis showed that the VPO-C scenario generated a clearly different oxygen distribution from the VPO+C scenario; the former exhibited a lower hypoxic fraction and higher radiosensitivity. In future studies, this modeling approach might be valuable for qualitative analyses of factors that affect oxygen distribution as well as analyses of specific experimental and clinical situations.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2012

Neuronal glycosylation differentials in normal, injured and chondroitinase-treated environments

Highlights: Black-Right-Pointing-Pointer Carbohydrates are important in the CNS and ChABC has been used for spinal cord injury (SCI) treatment. Black-Right-Pointing-Pointer Neuronal glycosylation in injury and after ChABC treatment is unknown. Black-Right-Pointing-Pointer In silico mining verified that glyco-related genes were differentially regulated after SCI. Black-Right-Pointing-Pointer In vitro model system revealed abnormal sialylation in an injured environment. Black-Right-Pointing-Pointer The model indicated a return to normal neuronal glycosylation after ChABC treatment. -- Abstract: Glycosylation is found ubiquitously throughout the central nervous system (CNS). Chondroitin sulphate proteoglycans (CSPGs) are a group of molecules heavily substituted with glycosaminoglycans (GAGs) and are found in the extracellular matrix (ECM) and cell surfaces. Upon CNS injury, a glial scar is formed, which is inhibitory for axon regeneration. Several CSPGs are up-regulated within the glial scar, including NG2, and these CSPGs are key inhibitory molecules of axonal regeneration. Treatment with chondroitinase ABC (ChABC) can neutralise the inhibitory nature of NG2. A gene expression dataset was mined in silico to verify differentially regulated glycosylation-related genes in neurons after spinal cord injury and identify potential targets for further investigation. To establish the glycosylation differential of neurons that grow in a healthy, inhibitory and ChABC-treated environment, we established an indirect co-culture system where PC12 neurons were grown with primary astrocytes, Neu7 astrocytes (which overexpress NG2) and Neu7 astrocytes treated with ChABC. After 1, 4 and 8 days culture, lectin cytochemistry of the neurons was performed using five fluorescently-labelled lectins (ECA MAA, PNA, SNA-I and WFA). Usually {alpha}-(2,6)-linked sialylation scarcely occurs in the CNS but this motif was observed on the neurons in the injured environment only at day 8. Treatment with ChABC was successful in returning neuronal glycosylation to normal conditions at all timepoints for MAA, PNA and SNA-I staining, and by day 8 in the case of WFA. This study demonstrated neuronal cell surface glycosylation changes in an inhibitory environment and indicated a return to normal glycosylation after treatment with ChABC, which may be promising for identifying potential therapies for neuronal regeneration strategies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2026

Conditional distribution estimation of building characteristics with diffusion models for urban energy modeling

Understanding current energy consumption behavior in communities is critical for informing future energy use decisions and enabling efficient energy management. Urban energy models, which are used to simulate these energy use patterns, require large datasets with detailed building characteristics for accurate outcomes. However, such detailed characteristics at the individual building level are often unknown and costly to acquire, or unavailable. Through this work, we propose using a generative modeling approach to generate realistic building attributes to fill in the data gaps and finally provide complete characteristics as inputs to energy models. Our model learns complex, building-level patterns from training on a large-scale residential building stock model containing 2.2 million buildings. We employ a tabular diffusion-based framework that is designed to handle heterogeneous (discrete and continuous) features in tabular building data, such as occupancy, floor area, heating, cooling, and other equipment details. We develop a capability for conditional diffusion, enabling the imputation of missing building characteristics conditioned on known attributes. We conduct a comprehensive validation of our conditional diffusion model, firstly by comparing the generated conditional distributions against the underlying data distribution, and secondly, by performing a case study for a Baltimore residential region, showing the practical utility of our approach. Our work is one of the first to demonstrate the potential of generative modeling to accelerate building energy modeling workflows.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Binding of Nucleoid-Associated Protein Fis to DNA Is Regulated by DNA Breathing Dynamics

Physicochemical properties of DNA, such as shape, affect protein-DNA recognition. However, the properties of DNA that are most relevant for predicting the binding sites of particular transcription factors (TFs) or classes of TFs have yet to be fully understood. Here, using a model that accurately captures the melting behavior and breathing dynamics (spontaneous local openings of the double helix) of double-stranded DNA, we simulated the dynamics of known binding sites of the TF and nucleoid-associated protein Fis in Escherichia coli. Our study involves simulations of breathing dynamics, analysis of large published in vitro and genomic datasets, and targeted experimental tests of our predictions. Our simulation results and available in vitro binding data indicate a strong correlation between DNA breathing dynamics and Fis binding. Indeed, we can define an average DNA breathing profile that is characteristic of Fis binding sites. This profile is significantly enriched among the identified in vivo E. coli Fis binding sites. To test our understanding of how Fis binding is influenced by DNA breathing dynamics, we designed base-pair substitutions, mismatch, and methylation modifications of DNA regions that are known to interact (or not interact) with Fis. The goal in each case was to make the local DNA breathing dynamics either closer to or farther from the breathing profile characteristic of a strong Fis binding site. For the modified DNA segments, we found that Fis-DNA binding, as assessed by gel-shift assay, changed in accordance with our expectations. We conclude that Fis binding is associated with DNA breathing dynamics, which in turn may be regulated by various nucleotide modifications.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2019

Evaluation of the Impacts of Biomass Burning Aerosols on the NASA GEOS Sub-Seasonal Climate Forecasts

Emission sources of trace gases and aerosol particles in the South American (SA)and African (Af) continents have a strong seasonal and space variability associated with the extensive vegetation fires activities. In both continents, during the austral winter, the fires affect mainly tropical forest and savannah-type biomes and are mostly associated with deforestation and agricultural/pasture land management. Smoke aerosol particles, on average, contribute to at least 90% of the total aerosol optical depth (AOD) in the visible spectrum in the case of the South America regional smoke. Smoke aerosols also act as cloud condensation nuclei affecting cloud microphysics properties and therefore, changing the radiation budget, hydrological cycle and global circulation patterns over disturbed areas (Kaufman, 1995; Rosenfeld, 1999; Andreae,et al., 2004; Koren et al., 2004, Zhang, 2008; Ott et al., 2010; Randles et al., 2013). This study aims to evaluate and quantify the impact of including a comprehensive emission field of biomass burning aerosol on the performance of a seasonal climate forecast system, not only regarding the AOD itself but mainly on the meteorological state variable (e.g., precipitation and temperature). To address the questions put above, we designed two numerical experiments: 1- named"AERO_CTL" which applies the Quick Fire Emissions Dataset (QFED) emissions estimated with intra-diurnal variation (hereafter, BBE), and 2- named "AERO_CLM" where the sourcee mission is based on a climatology of the QFED emissions, with only monthly variation(hereafter, BBCLIM). Hindcast simulations were produced using the Goddard Earth ObservingSystem global circulation model, version 5, sub-seasonal to seasonal (GEOS5-S2S) system with a nominal spatial resolution of 56km (Rienecker et al., 2008). In both experiments, the aerosol feedbacks from cloud developments and radiation interactions were accounted. The two experiments consisted of 4 members each and ran from June to November spanning over the years 2000 to 2015. Model performance was evaluated by calculating statistical metrics on the mean area of SA and Af. Our results demonstrated that the skill model in predicting AOD is significantly improve when BBE source emission is applied over SA, but not over the Afcontinent. Over SA, the correlation between the AERO_CTL model configuration and MERRA-2 is 0.93 (R2= 0.86, RMS=0.02, BIAS=0.01), while the AERO_CLM model presents a value of0.81 (R2= 0.65, RMS=0.04, BIAS=0.06). However, the AERO_CTL experiment better represents the inter-annual variability of the AOS in both regions. The gain of the skill in predicting the AOD by the AERO_CTL experiment is also seen in some meteorological variables. We observed an increase in the model skill in predicting the 2-meter temperature and precipitation of up to 0.3 for the AERO_CTL experiment in comparison to the AERO_CLM. AERO_CLM. According to the analyzed hindcast, we inferred that representing the BBE more realistically implies in a significant gain of skills in the seasonal climate forecasting over SA and Af continents.

Aerosol↗
NASA NTRSDate not supplied

Accuracy of Center of Pressure Determination via Motion Capture

BACKGROUND: This study was conducted to support the stability assessment for tasks in lunar gravity and exercises on a Vibration Isolation and Stabilization (VIS) system in microgravity based on the dynamic feasibility criterion of whether the calculated position of the center of pressure (COP) falls within the base of support (BOS) which outlines the subject’s feet. Motion capture data combined with biomechanical modeling and simulation allows the forces and moments between the human and the VIS platform to be computed and the position of the COP as well as the location and shape of the BOS to be determined. The goal of this study was to assess the accuracy of the COP trajectory calculated using motion capture-based data. METHODS AND RESULTS: To obtain the dynamic quantities from which COP is calculated, motion capture data is first collected in the 1g lab environment by recording the trajectories of passive retroreflective markers placed on a subject during exercise or performance of a given task. The OpenSim [1] inverse kinematics (IK) tool is used to fit a scaled subject model to recorded marker trajectories while minimizing marker error to obtain joint angles. Then, a custom OpenSim plugin [2] is used to determine the subject’s time-varying moment of inertia and its time derivative, center of mass (CM) position, velocity, and acceleration, as well as the angular momentum and its time derivative relative to the subject’s CM. Some of these quantities are not needed for modeling tasks performed on a stationary lunar surface but, due to the moving exercise platform, are needed to model VIS response to the subject’s motion. Hand positions, used in calculating a cable force if present, are recorded as well. These quantities are used to calculate the total force (F ⃗^((plate) )) and moment (M ⃗^((plate) )) exerted by the lunar surface or the VIS plate on the subject’s shoe soles. COP is then calculated from the following equations: r_x^((cop) )= M_z^((plate) )/F_y^((plate) ) and r_z^((cop) )= 〖-M〗_x^((plate) )/F_y^((plate) ), where the y axis is normal to the surface. COP accuracy for feasibility assessments is then determined by whether it falls within the BOS, which is also computed by the plugin. To study the accuracy of COP calculated from motion capture, we first investigated whether COP remained within the BOS, as it must, for exercises performed in the 1g lab environment. Standard exercises such as back squat and deadlift were analyzed, as well as more explosive exercises including hang clean and press. Cases in which the COP exited the BOS indicated that COP accuracy required further investigation. In this study, an exercise device with cables was used, so cable force modeling accuracy should also be considered. In a separate study, we collected motion capture and force plate data for twenty-seven motions not involving an exercise device. About a third were genuine countermeasures exercises (e.g., hang clean and press), some were relevant for lunar tasks (e.g., object pick up), and the rest were of a “unit test” nature (e.g., swaying back and forth or side to side). Motion capture-based COP positions were compared with force plate measured COP. We found that while force plate measured COP remained within the BOS, motion capture-based COP was observed to briefly exit the BOS on occasion. Techniques to mitigate IK artifacts and filtering of calculated data could be used to improve the agreement of calculated and measured results, resolving excursions from the BOS within this dataset. The mean error between calculated and measured COP was found to be less than 6 mm. Additionally, we derived and investigated equations for the COP in terms of the cable force, cable location, as well as the human CM position, acceleration, and angular momentum with respect to the CM, and analyzed them for sensitivity to errors in individual quantities. Several were found, but the most significant one was that when the vertical force on the feet approaches zero, indicating a near-detachment or ‘jump off’ condition, errors are amplified. This is consistent with the observation that in the absence of pressure, the concept of the center of pressure would become meaningless.

C A Bell↗
DOE OSTI2025

The value of integrating a geothermal district heating system into a microgrid

As electrical grids increasingly rely on variable renewable energy, maintaining reliability and cost efficiency becomes more complex. To address these challenges, this study analyzed the integration of geothermal district heating as a grid-responsive thermal resource within a microgrid in Tuttle, Oklahoma. Building energy modeling using EnergyPlus estimated annual district heating demand at 2.9 GWh, with a peak load of 2.8 MW th . Techno-economic analyses were conducted to meet the heating demand under three geothermal scenarios, varying by production depth, flow rate, and thermal output, each supplemented by natural gas peaking boilers. In parallel, equivalent electrical load profiles were developed using typical coefficients of performance (COPs) for air-source heat pumps and electric boilers to establish an electrified baseline scenario. A complete end-use electrical load profile was also developed for the microgrid using Cambium dataset. The modeling results demonstrated reliable and economic operation of the geothermal systems over 30 years, with COPs ranging from 2.6 to 8.9 and the lowest levelized heating cost at $\$$54.6/MWh. Geothermal integration reduced electricity consumption by up to 94.7 % compared to the non-geothermal base case, yielding annual energy savings of up to $\$$803 k. Avoided grid costs ranged from $\$$65 k–$\$$147 k per year, with individual events avoiding up to $\$$4,863 per hour. Grid-responsive operation further reduced wholesale energy costs by 53–56 %. These findings demonstrate geothermal heating, traditionally treated as a non-grid-responsive thermal resource, can be reconfigured to support dynamic grid services, offering a scalable pathway to enhance reliability and reduce costs in renewable-rich microgrids and district heating networks.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

OrthoPhyl—streamlining large-scale, orthology-based phylogenomic studies of bacteria at broad evolutionary scales

Abstract There are a staggering number of publicly available bacterial genome sequences (at writing, 2.0 million assemblies in NCBI's GenBank alone), and the deposition rate continues to increase. This wealth of data begs for phylogenetic analyses to place these sequences within an evolutionary context. A phylogenetic placement not only aids in taxonomic classification but informs the evolution of novel phenotypes, targets of selection, and horizontal gene transfer. Building trees from multi-gene codon alignments is a laborious task that requires bioinformatic expertise, rigorous curation of orthologs, and heavy computation. Compounding the problem is the lack of tools that can streamline these processes for building trees from large-scale genomic data. Here we present OrthoPhyl, which takes bacterial genome assemblies and reconstructs trees from whole genome codon alignments. The analysis pipeline can analyze an arbitrarily large number of input genomes (>1200 tested here) by identifying a diversity-spanning subset of assemblies and using these genomes to build gene models to infer orthologs in the full dataset. To illustrate the versatility of OrthoPhyl, we show three use cases: E. coli/Shigella, Brucella/Ochrobactrum and the order Rickettsiales. We compare trees generated with OrthoPhyl to trees generated with kSNP3 and GToTree along with published trees using alternative methods. We show that OrthoPhyl trees are consistent with other methods while incorporating more data, allowing for greater numbers of input genomes, and more flexibility of analysis.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2002

The GEOS Retrospective Data Assimilation System: The 6-hour lag case

The fixed-lag Kalman smoother (FLKS) has been proposed as a framework to construct data assimilation procedures capable of producing high-quality climate research datasets. Fixed-lag Kalman smoother-based systems, referred to as retrospective data assimilation systems, are an extension to three-dimensional filtering procedures with the added capability of incorporating observations not only in the past and present time of the estimate, but also at future times. A variety of simplifications are necessary to render retrospective assimilation procedures practical. In this article, we present an FLKS-based retrospective data assimilation system implementation for the Goddard Earth Observing System (GOES) Data Assimilation System (DAS). The practicality of this implementation comes from the practicality of its underlying (filter) analysis system, i.e., the physical-space statistical analysis system (PSAS). The behavior of two schemes is studied here. The first retrospective analysis (RA) scheme is designed simply to update the regular PSAS analyses with observations available at times ahead of the regular analysis times. Although our GEOS DAS implementation is general, results are only presented for when observations 6-hours ahead of the analysis time are used to update the PSAS analyses and thereby to calculate the so-called lag-1 retrospective analyses. Consistency tests for this RA scheme show that the lag-1 retrospective analyses indeed have better 6-hour predictive skills than the predictions from the regular analyses. This motivates the introduction of the second retrospective analysis scheme which, at each analysis time, uses the 6-hour retrospective analysis to replace the first-guess normally used in the PSAS analysis, and therefore allows the calculation of a revised (filter) PSAS analysis. Since in this scheme the lag-1 retrospective analyses influence the filter results, this procedure is referred to as the retrospective-based iterative analysis (RIA) scheme. Results from the RIA scheme indicate its potential for improving the overall quality of the assimilation.

Zhu, Yan-Qiu↗
NASA NTRSDate not supplied

Coaxial Rotor CFD Validation and ML Surrogate Model Generation

A fixed-pitch speed-controlled coaxial rotor system was tested in the NASA Langley Transonic Dynamics Tunnel in September 2022. The rotors have a diameter of 1.35 meters and an inter-rotor spacing of 25% of the diameter. Though this test was focused on the NASA New Frontiers Dragonfly mission, the resulting dataset is relevant to a wide array of applications of multirotor vehicles, especially those using fixed-pitch variable-speed rotors. Most notably beyond Dragonfly, perhaps, is the application of coaxial rotor pair configurations for eVTOL and Urban Air Mobility (UAM) aircraft. This work provides a thorough CFD validation study quantifying coaxial rotor performance estimation with accuracy on order 5-10% using an efficient hybrid BEMT-URANS flow solver over a wide range of operating conditions. This accuracy was achieved using novel approaches for the construction of both the C81 airfoil performance lookup tables and the BEMT rotor model. These novel approaches are combined with advanced scripting to further accelerate the commercial off-the-shelf CFD solver on GPU accelerated machines. Finally, the development of machine learning surrogate models is presented to produce highly efficient and accurate rotor performance predictions for fixed-pitch variable-speed multirotor aircraft over the complete flight regime including scout, cruise, climb, descent, as well as limiting cases of vortex-ring and windmill-brake states.

Coaxial↗
DOE OSTI2026

Data from: "Towards CONUS-Wide ML-Augmented Conceptually-Interpretable Modeling of Catchment-Scale Precipitation-Storage-Runoff Dynamics"

This data package was generated to support the manuscript “Towards CONUS-Wide Machine Learning-Augmented Conceptually Interpretable Modeling of Catchment-Scale Precipitation-Storage-Runoff Dynamics.” It provides input files, model outputs, plotting data, scripts, notebooks, and documentation used to develop, evaluate, and reproduce Mass-Conserving Perceptron (MCP)-based hydrologic modeling experiments across 513 selected Catchment Attributes and Meteorology for Large-sample Studies in the United States (CAMELS-US) basins. The files are organized by modeling component and analysis purpose, including rainfall–runoff experiments, snow module experiments, coupled hydrologic-snow experiments, Long Short-Term Memory (LSTM) benchmark results, model skill metrics, initialization and epoch records, cell-state normalization files, Akaike Information Criterion (AIC)-based model comparison files, and data used to generate manuscript figures. Tabular files can be opened using standard spreadsheet software or Python/R data-analysis tools. Python scripts, Jupyter notebooks, and selected MATLAB scripts are included for model execution, postprocessing, plotting, and statistical analysis. Quality assurance and quality control were conducted through the source-data selection and modeling workflow. Meteorological forcing, streamflow, and static catchment attributes were derived from the CAMELS-US dataset, and snow water equivalent data were derived from the University of Arizona (UA) Snow Water Equivalent dataset. Selected basins and time periods were screened during the associated research workflow to avoid missing observations or poor-quality cases. Static geospatial features were processed primarily using Quantum Geographic Information System (QGIS) and Geospatial Data Abstraction Library (GDAL) workflows. Additional details are provided in the associated manuscript and documentation.

ESS-DIVE CSV File Formatting Guidelines Reporting ↗