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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimal Heliostat Assignment Strategy for Multiple-Receiver Systems

Next-generation concentrating solar power concepts currently being developed under the U.S. Department of Energy's Gen3 program include several novel heliostat field and receiver arrangements. Among these concepts are solar fields utilizing multiple receivers or several distinct receiver flux control zones, and each of which has particular power or peak flux constraints. In this paper, we present a linear program that identifies optimal heliostat-to-receiver assignment strategies for multi-receiver or multi-zone solar fields based on detailed calculations made by an optics modeling package. Two distinct problems are addressed: namely, (1) a design problem that chooses the optimal set of heliostats to include in a final layout given receiver constraints and performance, and (2) an operations problem that assigns existing heliostats to a receiver, maximizing field power output while maintaining receiver power constraints. The optimization methodology is integrated into the concentrating solar power tower modeling package SolarPILOTTM, and results are presented showing that heliostat assignment strategies can impact both initial heliostat field layout characteristics and the cost of thermal energy produced by the field. The methodology succeeds in maintaining power requirements but at the expense of producing different flux profiles on each receiver surface. Consequently, the paper also discusses additional measures that are applied to ensure that desirable flux distribution properties are maintained, reducing local flux mean-absolute-deviation values from a baseline of 17% or greater to less than 5% compared to a desired reference flux profile.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2025

3D modeling of n = 1 RMP driven heat fluxes on the SPARC tokamak PFCs using HEAT

3D heat flux calculations at the lower outer divertor plate of SPARC using the HEAT code show that 3D fields generated from error field correction coils can lead to enhanced peak heat fluxes up to 15 times larger compared to the axisymmetric case. Previously employed to simulate axisymmetric heat flux on 3D plasma facing components, the HEAT code can now predict 3D heat flux generated by non-axisymmetric plasmas. This is achieved via a new HEAT module which leverages the 3D field line tracing capabilities of MAFOT starting from an M3D-C1 (MHD resistive code) perturbed equilibria. The resulting heat flux is assigned using the magnetic footprint and the heat flux layer model, an extension of the 2D heat flux model also known as the Eich, to 3D non-axisymmetric plasmas. For SPARC, the new capabilities of HEAT are used to calculate the 3D heat loads resulting from n = 1 perturbation fields (with n indicating the toroidal periodicity) applied through a toroidal array of six picture frame coils with different amplitude. The comparison with the unperturbed case shows significant changes in shape and intensity of the heat flux profile. The results show that the application of n = 1 3D field leads to a localized enhancement of the heat flux peak, influenced by the wetted area impacted by the magnetic footprint, and the appearance of a secondary heat flux peak, whose intensity depends on amplitude of the applied 3D field and toroidal location.

3D heat flux↗
DOE OSTI2020

Process-based balance of system cost modeling for offshore wind power plants in the United States

This paper describes the development of a process-based and open-source balance of system cost model that provides the capability to evaluate both existing and novel offshore wind technologies. Individual design and installation steps are represented with bottom-up engineering models that compute times and costs associated with the process; furthermore, operational constraints are assigned to each process so that delays caused by weather and presence of marine mammals may be accounted for in the overall project timeline. The model structure, assumptions, inputs, and results are vetted with industry partners and compared against actual projects for validation. Installation times show reasonable agreement with real data. Project cost sensitivities are investigated to compute the system-level impact of different design choices. First, individual vessel efficiencies are computed for varying numbers of installation vessels and weather time series to show the diminishing returns of more than two feeder barges. Then, array cable capital costs and installation times are determined for a representative project with different turbine sizes. These values quantify the cost-benefit tradeoffs and show a net-cost savings of decreasing numbers of turbines, increased turbine spacing, and fewer turbine terminations. These results demonstrate that the balance of system model features the accuracy, functionality, and accessibility to serve as the foundation for a wide range of analyses to identify cost reduction potentials for offshore wind energy in the United States.

17 WIND ENERGY↗
DOE OSTI2020

Joint Design of Multimodal Transit Networks and Shared Autonomous Mobility Fleets

Providing quality transit service to travelers in low-density areas, particularly travelers without personal vehicles, is a constant challenge for transit agencies. The advent of fully-autonomous vehicles (AVs) and their inclusion in mobility service fleets may allow transit agencies to offer better service and/or reduce their own capital and operational costs. This study focuses on the problem of allocating resources between transit patterns and operating (or subsidizing) shared-use AV mobility services (SAMSs) in a large metropolitan area. To address this question, a joint transit network redesign and SAMS fleet size determination problem (JTNR-SFSDP) is introduced, and a bi-level mathematical programming formulation and solution approach are presented. The upper-level problem modifies a transit network frequency setting problem (TNFSP) formulation via incorporating SAMS fleet size as a decision variable and allowing the removal of bus routes. The lower-level problem consists of a dynamic combined mode choice-traveler assignment problem (DCMC-TAP) formulation. The heuristic solution procedure involves solving the upper-level problem using a nonlinear programming solver and solving the lower-level problem using an iterative agent-based assignment-simulation approach. To illustrate the effectiveness of the modeling framework, this study uses traveler demand from Chicago along with the regions existing multimodal transit network. The computational results indicate significant traveler benefits, in terms of improved average traveler wait times, associated with optimizing the joint design of multimodal transit networks and SAMS fleets compared with the initial transit network design.

bi-level programming↗
DOE OSTI2020

Defining Intermediates of Nitrogenase MoFe Protein during N 2 Reduction under Photochemical Electron Delivery from CdS Quantum Dots

Coupling the nitrogenase MoFe protein to light-harvesting semiconductor nanomaterials replaces the natural electron transfer complex with Fe protein and ATP and provides low potential photoexcited electrons for photocatalytic N 2 reduction. A central question is how direct photochemical electron delivery from nanocrystals to MoFe protein is able to support the multi-electron ammonia production reaction. In this study, low photon flux conditions were used to identify the initial reaction intermediates of CdS quantum dot (QD):MoFe protein nitrogenase complexes under photochemical activation. Illumination of CdS QD:MoFe protein complexes led to redox changes in the MoFe protein active site FeMo-co observed as the gradual decline in E0 resting state intensity that was accompanied by an increase in intensity of a new “g eff = 4.5” EPR signal. The magnetic properties of the g eff = 4.5 signal support assignment as a reduced S = 3/2 state, and reaction modeling was used to define it as a two-electron reduced “E 2 ” intermediate. Use of a MoFe protein variant, ß-188 Cys , which poises the P cluster in the oxidized P + state, demonstrated the P cluster can function as a site of photoexcited electron delivery from CdS to MoFe protein. Overall, the results establish the initial steps for how photoexcited CdS delivers electrons into MoFe protein during reduction of N 2 to ammonia, and the role of electron flux in the photochemical reaction cycle.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Identification of mobile genetic elements with geNomad

Identifying and characterizing mobile genetic elements in sequencing data is essential for understanding their diversity, ecology, biotechnological applications and impact on public health. Here we introduce geNomad, a classification and annotation framework that combines information from gene content and a deep neural network to identify sequences of plasmids and viruses. geNomad uses a dataset of more than 200,000 marker protein profiles to provide functional gene annotation and taxonomic assignment of viral genomes. Using a conditional random field model, geNomad also detects proviruses integrated into host genomes with high precision. In benchmarks, geNomad achieved high classification performance for diverse plasmids and viruses (Matthews correlation coefficient of 77.8% and 95.3%, respectively), substantially outperforming other tools. Leveraging geNomad’s speed and scalability, we processed over 2.7 trillion base pairs of sequencing data, leading to the discovery of millions of viruses and plasmids that are available through the IMG/VR and IMG/PR databases. geNomad is available at https://portal.nersc.gov/genomad.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Machine learning of 27Al NMR electric field gradient tensors for crystalline structures from DFT

NMR crystallography has emerged as a promising technique for the determination and refinement of atomic coordinates in crystal structures. The crystal structure of compounds containing quadrupolar nuclei, such as 27Al, can be improved by directly comparing solid-state NMR measurements to DFT computations of the electric field gradient (EFG) tensor. The non-negligible computational cost of these first-principles calculations limits the applicability of this method to all but the most well-defined structures. We developed a fast, low-cost machine learning model to predict EFG parameters based on local structural motifs and elemental parameters. We computed 8081 EFG tensors from 1681 27Al crystalline solids using DFT and benchmarked them against 105 experimentally measured 27Al sites. Surprisingly, simple local geometric features dominate the predictive performance of the resulting random-forest model, yielding an R2 value of 0.98 and an RMSE of 0.61 MHz for CQ, the quadrupolar coupling constant. This model accuracy should enable pre-refining future structural assignments before finally validating with first-principles calculations. Such a catalogue of 27Al NMR tensors can serve as a tool for researchers assigning complex NMR spectra influenced by the nuclear electric quadrupole interaction.

Sun, He↗
DOE OSTI2025

Development and validation of non-axisymmetric heat flux simulations with 3D fields using the HEAT code

A new comprehensive module to simulate heat fluxes from three-dimensional (3D) magnetic fields has been implemented in the HEAT code. Especially compact tokamaks like SPARC require tools to predict and manage large heat fluxes. Existing release versions of HEAT can only simulate axisymmetric heat flux on 3D plasma facing components. The new module uses an M3D-C1 perturbed equilibrium and the MAFOT code to trace field lines of the perturbed 3D magnetic field. Heat flux is then assigned to the resulting footprints via a 3D layer model. The model distinguishes between the scrape-off layer, the magnetic lobes and the private flux region, and employs only 0D parameters like the layer width, diffusive spread and the last closed flux surface position in the perturbed edge to generate a heat flux profile. The magnitude is normalized to the total input power. Resulting heat flux simulations are compared and validated against infrared measurements in the DIII-D tokamak with applied 3D fields; good agreement is found for several cases. The new module can now be applied to the SPARC tokamak; a preliminary result for applied rotating 3D fields is shown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Monte Carlo goodness-of-fit tests for degree corrected and related stochastic blockmodels

Abstract We construct Bayesian and frequentist finite-sample goodness-of-fit tests for three different variants of the stochastic blockmodel for network data. Since all of the stochastic blockmodel variants are log-linear in form when block assignments are known, the tests for the latent block model versions combine a block membership estimator with the algebraic statistics machinery for testing goodness-of-fit in log-linear models. We describe Markov bases and marginal polytopes of the variants of the stochastic blockmodel and discuss how both facilitate the development of goodness-of-fit tests and understanding of model behaviour. The general testing methodology developed here extends to any finite mixture of log-linear models on discrete data, and as such is the first application of the algebraic statistics machinery for latent-variable models.

Karwa, Vishesh↗
DOE OSTI2023

Development of a Machine-Learned Cruise Guide Indicator for Rotorcraft

This paper presents a machine-learned virtual cruise guide indicator (vCGI) for Chinook helicopters. Two temporal neural networks were trained and evaluated on measured data from 55 flight tests, one for the fore rotor and another for the aft rotor, to predict a vCGI value, which protects 23 components from fatigue damage during steady-state conditions. Three different classes of machine learning architectures were evaluated for prediction of the vCGI from time sequences: a temporal convolutional neural network with 1D dilated causal convolutions, a long short-term memory recurrent neural network, and an attention-based transformer architecture. The final average model accuracy on unseen flight data is currently greater than 93% for CGI values which could result in fatigue damage and 90% for normal operation CGI values. Model accuracy was improved through a series of advancements in:(1) selection of optimal training data using temporal collective variables and unsupervised learning, (2) dataset augmentation with maximum-entropy temporal collective variables, and (3) implementation of a mixture-of-experts classification- regression approach using an adversarial classification approach to assign maneuver labels. The results are presented for each advancement in model development along with lessons learned in training machine learning models on real- world, time-dependent rotorcraft data.

Boyer, Mathew↗
DOE OSTI2025

Incorporating the Acclimation of Photosynthesis and Leaf Respiration in the Noah‐MP Land Surface Model: Model Development and Evaluation

Abstract Realistic simulation of leaf photosynthetic and respiratory processes is needed for accurate prediction of the global carbon cycle. These two processes systematically acclimate to long‐term environmental changes by adjusting photosynthetic and respiratory traits (e.g., the maximum photosynthetic capacity at 25°C ( V cmax,25 ) and the leaf respiration rate at 25°C ( R 25 )) following increasingly well‐understood principles. While some land surface models (LSMs) now account for thermal acclimation, they do so by assigning empirical parameterizations for individual plant functional types (PFTs). Here, we have implemented an Eco‐Evolutionary Optimality (EEO)‐based scheme to represent the universal acclimation of photosynthesis and leaf respiration to multiple environmental effects, and that therefore requires no PFT‐specific parameterizations, in a standard version of the widely used LSM, Noah MP. We evaluated model performance with plant trait data from a 5‐year experiment and extensive global field measurements, and carbon flux measurements from FLUXNET2015. We show that observed R 25 and V cmax,25 vary substantially both temporally and spatially within the same PFT ( C.V. >20%). Our EEO‐based scheme captures 62% of the temporal and 70% of the spatial variations in V cmax,25 (73% and 54% of the variations in R 25 ). The standard scheme underestimates gross primary production by 10% versus 2% for the EEO‐based scheme and generates a larger spread in r (correlation coefficient) across flux sites (0.79 ± 0.16 vs. 0.84 ± 0.1, mean ± S.D.). The standard scheme greatly overestimates canopy respiration (bias: ∼200% vs. 8% for the EEO scheme), resulting in less CO 2 uptake by terrestrial ecosystems. Our approach thus simulates climate‐carbon coupling more realistically, with fewer parameters.

Ren, Yanghang [Department of Earth System Science ↗
DOE OSTI2021

Investigating Application of LiDAR for Nuclear Power Plants

Many evaluation, assessment, and modeling tasks at nuclear power plants require spatial in-formation; this often requires physical visits to locations within the facility because the 2D or 3D schematics and current models do not contain enough detail or do not capture as-built and real-world conditions. These visits require extensive manual labor for not only the requesting party, but also support groups, such as security. Light Detection and Ranging (LiDAR) mapping is trying to solve that problem by providing very detailed 3D models for low costs. However, the use of these models can be very limited because either component reference information is missing and too costly to add or there is no way to extract specific spatial data needed for other tools. This report outlines two main efforts. First, to reduce the effort of “Tagging” data in large 3D models, a general Application Programming Interface (API) was developed to import a variety of existing plant database information into a 3D-visualization engine. Filters allow the user to have only zone-specific items listed; then, they can simply click and assign the information to a specific spot or component in the 3D model. The second part of the work is the development of an interface for importing pieces from the3D-LiDAR model into other systems needed for modeling and simulation, outlined around fire modeling. This interface allows for the retrieval of item location and boundaries, enabling the auto generation of models for varying tools.

3D Modelling↗
DOE OSTI2020

Process-Based Balance-of-System Cost Modeling for Offshore Wind Power Plants in the United States: Preprint

This work describes the development of a process based and open source balance of system cost model which provides the capability to evaluate both existing and novel offshore wind technologies. Individual design and installation steps are represented with bottom-up engineering models that compute the times and costs associated with the process; furthermore, operational constraints are assigned to each process so that delays due to weather and presence of marine mammals may be accounted for in the overall project timeline. The model structure, assumptions, inputs, and results are vetted with industry partners and compared against actual projects for validation; installation times are shown to agree with real data with relative errors of less than 35\%. Case studies are presented to demonstrate the functionality of the model. First, individual vessel efficiencies are computed for varying numbers of installation vessels and weather time series to show the diminishing returns of more than two feeder barges. Then, array cable capital costs and installation times are determined for a representative project with different turbine sizes. This quantifies the cost benefit tradeoffs of decreasing number of turbines, increased turbine spacing, and fewer turbine terminations and shows a net cost savings. These results demonstrate that the BOS model features the accuracy, functionality, and accessibility to serve as the foundation for a wide range of analyses to identify cost reduction potentials for offshore wind energy in the United States.

17 WIND ENERGY↗
DOE OSTI2020

Atomic fluctuations in electronic materials revealed by dephasing

The microscopic origin and timescale of the fluctuations of the energies of electronic states has a significant impact on the properties of interest of electronic materials, with implication in fields ranging from photovoltaic devices to quantum information processing. Spectroscopic investigations of coherent dynamics provide a direct measurement of electronic fluctuations. Modern multidimensional spectroscopy techniques allow the mapping of coherent processes along multiple time or frequency axes and thus allow unprecedented discrimination between different sources of electronic dephasing. Exploiting modern abilities in coherence mapping in both amplitude and phase, we unravel dissipative processes of electronic coherences in the model system of CdSe quantum dots (QDs). The method allows the assignment of the nature of the observed coherence as vibrational or electronic. The expected coherence maps are obtained for the coherent longitudinal optical (LO) phonon, which serves as an internal standard and confirms the sensitivity of the technique. Fast dephasing is observed between the first two exciton states, despite their shared electron state and common environment. This result is contrary to predictions of the standard effective mass model for these materials, in which the exciton levels are strongly correlated through a common size dependence. In contrast, the experiment is in agreement with ab initio molecular dynamics of a single QD. Electronic dephasing in these materials is thus dominated by the realistic electronic structure arising from fluctuations at the atomic level rather than static size distribution. The analysis of electronic dephasing thereby uniquely enables the study of electronic fluctuations in complex materials.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MEMOTE for standardized genome-scale metabolic model testing

Reconstructing metabolic reaction networks enables the development of testable hypotheses of an organism’s metabolism under different conditions. State-of-the-art genome-scale metabolic models (GEMs) can include thousands of metabolites and reactions that are assigned to subcellular locations. Gene–protein–reaction (GPR) rules and annotations using database information can add meta-information to GEMs. GEMs with metadata can be built using standard reconstruction protocols, and guidelines have been put in place for tracking provenance and enabling interoperability, but a standardized means of quality control for GEMs is lacking. Here we report a community effort to develop a test suite named MEMOTE (for metabolic model tests) to assess GEM quality.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Testing the Froggatt-Nielsen mechanism with lepton flavor and number violating processes

The Froggatt-Nielsen (FN) mechanism offers an elegant explanation for the observed masses and mixings of Standard Model fermions. In this work, we systematically study FN models in the lepton sector, identifying a broad range of charge assignments (“textures”) that naturally yield viable masses and mixings for various neutrino mass generation mechanisms. Using these textures, we consider higher-dimensional operators consistent with a FN origin and find that natural realizations predict distinct patterns in lepton flavor- and number-violating observables. For Dirac and Majorana neutrinos, FN-related correlations can lead to detectable rates of charged lepton flavor violation at next-generation low-energy experiments. Majorana and type-I seesaw models predict measurable rates of neutrinoless double beta decay. Determination of inverted neutrino mass ordering would exclude the Dirac neutrino FN scenario. Only a small minority of purely leptonic FN models predict detectable flavor violation at future muon colliders, though it is possible that a combined analysis with the quark sector will reveal motivated signals. These findings highlight the power of the FN mechanism to link neutrino mass generation to testable leptonic observables, offering new pathways for the experimental exploration of lepton number and underscoring the importance of next-generation low-energy probes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Storage Enabled Flexibility of Conventional Generation Assets (StorFlex)

The power systems have faced progressively more demanding operational requirements over the last two decades. Several factors contribute to these challenging operating conditions, including load growth, aging infrastructure, increasing penetrations of distributed energy resources (DERs), electrification of the economy, and policy initiatives such as decarbonization. The power system and its components must provide high operational flexibility to mitigate these challenges. For example, the proliferation of intermittent DERs such as wind and solar has increased the need for conventional generation assets like hydropower plants to respond to sudden load-generation imbalances. The higher flexibility requirements for hydropower plants cause more wear and tear, potentially shortening the useful lifespan of hydropower turbines. To reduce the need for hydropower plants to follow sudden changes in the dispatch signal, we investigate their combined operation with the energy storage systems (ESSs; “ESS-based hybridization”). Our analyses focuses on improving the lifespan of hydropower plants through ESS-based hybridization. Wear and tear on hydropower turbines (particularly Francis turbines) is modeled using a loss-of-life concept that is based on damage experienced by the turbine due to various cycles of operation. Then, we show that using ESSs to offset some of the high variation increases the remaining life of the hydropower plants. To demonstrate this, a few modeling tools were developed for this work: (1) a dynamic model for various components of the turbine and its governor; (2) a control strategy that assigns a slow-varying dispatch signal to a hydropower unit versus a fastmoving signal to ESS, such that the overall power request remains the same; and (3) models for the financial analysis to quantify the economic merits of such a framework. We used the models we developed to analyze the dispatch pattern of an actual hydropower plant with a power output of 50 MW and a head height of 152 m. This work showed that ESS-based hybridization could extend the life of the hydropower plant by 5% on average. This extension in life was then used to estimate the economic benefit in terms of cost deferrals associated with hydropower plant maintenance and replacement: on average, $3.6 million. Sensitivity analysis with respect to the size of ESS and cost of turbines was performed to show the variation in benefits over the range of turbine costs and ESS sizes. Crucially, stacking damage reduction and lifetime extension with other ESS value streams such as providing ancillary services could substantially increase the financial benefits of ESS-based hybridization. The higher costs associated with ESS of appropriate size would make more financial sense when multiple value streams are stacked and co-optimized to extract the maximum benefit. This dimension will be explored in future work.

13 HYDRO ENERGY↗
DOE OSTI2026

Enhancing transfer learning in angle-resolved photoemission spectroscopy (ARPES) with spatially-aware representations via graph convolution

A recent application of machine learning has been to spatially-resolved angle-resolved photoemission spectroscopy (ARPES). Here we advance the state-of-the-art by applying representational learning to transform ARPES data into an embedding space of a pre-trained self-supervised learning model, thus enhancing the pipeline that improves the bandstructure classification and domain assignment/segmentation performance compared to a k-means clustering method. In the current iteration, the real-space information is entered into the domain assignment through the graph convolution method, which improves the transfer learning performance of the original self-supervised model. Lastly, an unsupervised automated tool is developed that incorporates these techniques to enable automatic domain assignment.

ARPES↗