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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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DOE OSTI2021

Prediction of intrinsic topological superconductivity in Mn-doped GeTe monolayer from first-principles

The recent discovery of topological superconductors (TSCs) has sparked enormous interest. The realization of TSC requires a delicate tuning of multiple microscopic parameters, which remains a great challenge. Here, we develop a first-principles approach to quantify realistic conditions of TSC by solving self-consistently Bogoliubov-de Gennes equation based on a Wannier function construction of band structure, in presence of Rashba spin-orbit coupling, Zeeman splitting and electron-phonon coupling. We further demonstrate the power of this method by predicting the Mn-doped GeTe (Ge 1- x Mn x Te) monolayer—a well-known dilute magnetic semiconductor showing superconductivity under hole doping—to be a Class D TSC with Chern number of -1 and chiral Majorana edge modes. By constructing a first-principles phase diagram in the parameter space of temperature and Mn concentration, we propose the TSC phase can be induced at a lower-limit transition temperature of ~40 mK and the Mn concentration of x ~0.015%. Our approach can be generally applied to TSCs with a phonon-mediated pairing, providing useful guidance for future experiments.

Chemistry↗

DOE OSTI2023

Improving nuclear data evaluations with predictive reaction theory and indirect measurements

Nuclear reaction data required for astrophysics and applications is incomplete, as not all nuclear reactions can be measured or reliably predicted. Neutron-induced reactions involving unstable targets are particularly challenging, but often critical for simulations. In response to this need, indirect approaches, such as the surrogate reaction method, have been developed. Nuclear theory is key to extract reliable cross sections from such indirect measurements. We describe ongoing efforts to expand the theoretical capabilities that enable surrogate reaction measurements. We focus on microscopic predictions for charged-particle inelastic scattering, uncertainty-quantified optical nucleon-nucleus models, and neural-network enhanced parameter inference.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

The Area Localized Coupled Model for Analytical Mean Flow Prediction in Arbitrary Wind Farm Geometries

This work introduces the area localized coupled (ALC) model, which extends the applicability of approaches that couple classical wake superposition models and atmospheric boundary layer models to wind farms with arbitrary layouts. Coupling wake and top–down boundary layer models is particularly challenging since the latter requires averaging over planform areas associated with turbine-specific regions of the flow that need to be specified. The ALC model uses Voronoi tessellation to define this local area around each turbine. A top–down description of a developing internal boundary layer is then applied over Voronoi cells upstream of each turbine to estimate the local mean velocity profile. Coupling between the velocity at hub-height based on this localized top–down model and a wake model is achieved by enforcing a minimum least-square-error in mean velocity in each cell. The wake model in the present implementation takes into account variations in wind farm inflow velocity and represents the wake profile behind each turbine as a super-Gaussian function that smoothly transitions between a top-hat shape in the region immediately following the turbine to a Gaussian profile downstream. Detailed comparisons to large-eddy simulation (LES) data from two different wind farms demonstrate the efficacy of the model in accurately predicting both wind farm power output and local turbine hub-height velocity for different wind farm geometries. These validations using data generated from two different LES codes demonstrate the model's versatility with respect to capturing results from different simulation setups and wind farm configurations.

49 EE - Wind and Water Power Program - Wind (EE-4W↗

DOE OSTI2022

Deploying a Model Predictive Traffic Signal Control Algorithm - A Field Deployment Experiment Case Study

This paper presents a field deployment experiment of a real-time traffic signal control algorithm. We implemented the model predictive control (MPC) algorithm based on the virtual phase-link (VPL) model. We selected the deployment locations and times based on an energy saving potential concept. We developed a set of experiment systems, which included sensing, processing, and actuating components, to enable field deployment. We tested the systems rigorously before the experiment days. We reported the key procedures on the experiment days, including the steps taken, the real-time control procedure, and the monitoring of the experiment. We evaluated the impact of the deployment by looking at the changes in delay and energy consumption.

deployment↗

DOE OSTI2021

C3PU:Real-Time Predictive Charge Control Software for Battery Management Systems (Code for Charge Control and Predictive Unit) [SWR-21-48]

C3PU sets up a model predictive control formulation for the optimal charging control of battery packs and can be deployed for real-time operation on an embedded microprocessor. C3PU uses electrochemical and thermal models of battery packs to predict the charging trajectories of the battery pack over a time horizon under different operating conditions. It then selects the optimal charging trajectory such that a pre-defined objective is minimized, which in the present state of the code is to minimize the charging duration of the battery pack. The optimal charging trajectory is obtained by solving an underlying mathematical problem. However, C3PU is flexible to incorporate other charging objectives. The underlying battery models can be swapped as well, as long as they follow certain mathematical properties. Mathematically, optimal control problems (in this case, optimally controlling the charging current of the battery pack) are computationally expensive. C3PU implements advanced numerical techniques, namely pseudo-spectral optimization, to reduce the computational burden of the underlying problem to solve. This allows for the problem to be solved in real-time in an embedded system. Once the optimal charging trajectory is computed over a time horizon, C3PU can package such data and send it out via appropriate communication protocols.

Mishra, Partha↗

DOE OSTI2022

Language models for the prediction of SARS-CoV-2 inhibitors

The COVID-19 pandemic highlights the need for computational tools to automate and accelerate drug design for novel protein targets. We leverage deep learning language models to generate and score drug candidates based on predicted protein binding affinity. We pre-trained a deep learning language model (BERT) on ∼9.6 billion molecules and achieved peak performance of 603 petaflops in mixed precision. Our work reduces pre-training time from days to hours, compared to previous efforts with this architecture, while also increasing the dataset size by nearly an order of magnitude. For scoring, we fine-tuned the language model using an assembled set of thousands of protein targets with binding affinity data and searched for inhibitors of specific protein targets, SARS-CoV-2 Mpro and PLpro. We utilized a genetic algorithm approach for finding optimal candidates using the generation and scoring capabilities of the language model. Our generalizable models accelerate the identification of inhibitors for emerging therapeutic targets.

Blanchard, Andrew E.↗

DOE OSTI2022

A new dynamic zOnal model with air-diffuser (DOMA) - Application to thermal comfort prediction

A new Dynamic zOnal Model with Air-diffuser (DOMA) was developed. Several case studies were investigated and tested to evaluate and validate this program using measurement data. This new model was integrated into a TRaNsient SYstems Simulation program library and coupled with the multi-zone thermal model. The DOMA/TRNSYS coupled model was then used to predict room temperature distribution over an entire day of a single-zone building. The results show that increasing the heating outputs of the electric floor system, for example, from 75 to 200 W/m 2 , would not effectively improve the indoor thermal comfort, since the thermostat will reach the set point first and then turn off the system before the room gets enough heat and reach a comfortable level. This indicates the importance of selecting an appropriate location and set point for the thermostat when using a floor heating system. This potential thermal comfort issue can only be identified through the two-node model with a dynamic zonal model rather than the conventional PMV model, which thus suggests that for optimizing indoor thermal comfort of a building equipped with a time-sensitive control strategy and/or HVAC system, the TSENS results obtained from the two-node model integrated with DOMA are more appropriate than PMVs.

Construction & Building Technology↗

DOE OSTI2021

History Matching and Performance Prediction of a Polymer Flood Pilot in Heavy Oil Reservoir on Alaska North Slope

The first-ever polymer flood pilot to enhance heavy oil recovery on Alaska North Slope (ANS) is ongoing. After more than 2.5 years of polymer injection, significant benefit has been observed from the decrease in water cut from 65% to less than 15% in the project producers. The primary objective of this study is to develop a robust history-matched reservoir simulation model capable of predicting future polymer flood performance. In this work, the reservoir simulation model has been developed based on the geological model and available reservoir and fluid data. In particular, four high transmissibility strips were introduced to connect the injector-producer well pairs, simulating short-circuiting flow behavior that can be explained by viscous fingering and reproducing the water cut history. The strip transmissibilities were manually tuned to improve the history matching results during the waterflooding and polymer flooding periods, respectively. It has been found that higher strip transmissibilities match the sharp water cut increase very well in the waterflooding period. Then the strip transmissibilities need to be reduced with time to match the significant water cut reduction. The viscous fingering effect in the reservoir during waterflooding and the restoration of injection conformance during polymer flooding have been effectively represented. Based on the validated simulation model, numerical simulation tests have been conducted to investigate the oil recovery performance under different development strategies, with consideration for sensitivity to polymer parameter uncertainties. The oil recovery factor with polymer flooding can reach about 39% in 30 years, twice as much as forecasted with continued waterflooding. Besides, the updated reservoir model has been successfully employed to forecast polymer utilization, a valuable parameter to evaluate the pilot test’s economic efficiency. All the investigated development strategies indicate polymer utilization lower than 3.5 lbs/bbl in 30 years, which is economically attractive.

Wang, Xindan↗

DOE OSTI2024

Characterization of Precipitation-Strengthening Heat-Resistant Austenitic Stainless Steels for Life-Prediction Modeling

In this study, the role of minor alloying additions in 347H stainless steels (UNS34709, ASTM A240/240M) on creep-rupture properties at 650-750°C and microstructure evolution during isothermal exposure at 750°C has been investigated, aiming to provide the experimental dataset as boundary conditions of physics-based modeling for material/component life prediction. Four different 347H heats containing various amounts of boron and nitrogen additions were prepared and evaluated. The combined additions of B and N are found to stabilize the strengthening secondary M23C6 carbides and retarding the transition from M23C6 to sigma phase precipitates during thermal exposure. The observed kinetics of microstructure evolution reasonably explains the improvement of creep-rupture properties of 347H stainless steels with the B and N additions.

Yamamoto, Yukinori↗

DOE OSTI2022

Can reanalysis products outperform mesoscale numerical weather prediction models in modeling the wind resource in simple terrain?

Mesoscale numerical weather prediction (NWP) models are generally considered more accurate than reanalysis products in characterizing the wind resource at heights of interest for wind energy, given their finer spatial resolution and more comprehensive physics. However, advancements in the latest ERA-5 reanalysis product motivate an assessment on whether ERA-5 can model wind speeds as well as a state-of-the-art NWP model – the Weather Research and Forecasting (WRF) Model. We consider this research question for both simple terrain and offshore applications. Specifically, we compare wind profiles from ERA-5 and the preliminary WRF runs of the Wind Integration National Dataset (WIND) Toolkit Long-term Ensemble Dataset (WTK-LED) to those observed by lidars at a site in Oklahoma, United States, and in a United States Atlantic offshore wind energy area. We find that ERA-5 shows a significant negative bias (~-1ms-1) at both locations, with a larger bias at the land-based site. WTK-LED-predicted wind speed profiles show a limited negative bias (~-0.5ms-1) offshore and a slight positive bias (~+0.5ms-1) at the land-based site. On the other hand, we find that ERA-5 outperforms WTK-LED in terms of the centered root-mean-square error (cRMSE) and correlation coefficient, for both the land-based and offshore cases, in all atmospheric stability conditions. We find that WTK-LED's higher cRMSE is caused by its tendency to overpredict the amplitude of the wind speed diurnal cycle. At the land-based site, this is partially caused by wind plant wake effects not being accurately captured by WTK-LED.

17 WIND ENERGY↗

NASA NTRS1975

Prediction and verification of creep behavior in metallic materials and components for the space shuttle thermal protection system. Volume 2: Phase 2 subsize panel cyclic creep predictions

A method for predicting permanent cyclic creep deflections in stiffened panel structures was developed. The resulting computer program may be applied to either the time-hardening or strain-hardening theories of creep accumulation. Iterative techniques were used to determine structural rotations, creep strains, and stresses as a function of time. Deflections were determined by numerical integration of structural rotations along the panel length. The analytical approach was developed for analyzing thin-gage entry vehicle metallic-thermal-protection system panels subjected to cyclic bending loads at high temperatures, but may be applied to any panel subjected to bending loads. Predicted panel creep deflections were compared with results from cyclic tests of subsize corrugation and rib-stiffened panels. Empirical equations were developed for each material based on correlation with tensile cyclic creep data and both the subsize panels and tensile specimens were fabricated from the same sheet material. For Vol. 1, see N75-21431.

Cramer, B. A.↗

NASA NTRS1975

Observations and theory of Mg II lines in early type stars. II - Theory and predicted profiles. III - The observations and a comparison with the predictions

Profiles of the UV Mg II lines in the spectra of early type stars are computed in a grid of model atmospheres with effective temperatures between 8000 and 35,000 K and log g values of 2.5 to 4.0 using the LTE and non-LTE theories of line formation. The theoretical results indicate that the line cores are strengthened by non-LTE effects over the entire temperature range, resonance-line wings are weaker in the cooler models than in the LTE case, and very large deviations from LTE occur in the hot low-gravity models. These predictions are compared with the equivalent widths of the UV Mg II lines in 106 stars and of the visual lines in 48 stars (spectral types O4 to A3). The observed equivalent widths of normal stars in luminosity classes II through V are found to agree with the predictions over the entire range from O8 to A2 if a certain Mg/H abundance is adopted. The line intensities observed in supergiants, Be, Bp, and Ap stars are discussed.

Snijders, M. A. J.↗

NASA NTRS1979

Solar-terrestrial Predictions Proceedings. Volume 1: Prediction Group Reports

The current practice in solar terrestrial predictions is reviewed with emphasis of prediction, warning, and monitoring services. Topics covered include: ionosphere-reflected HF radio propagation; radiation hazards for manned space flights and high altitude and high latitude aircraft flights; and geomagnetic activity.

Donnelly, R. F.↗

NASA NTRS1989

Noise produced by turbulent flow into a rotor: Theory manual for atmospheric turbulence prediction and mean flow and turbulence contraction prediction

Prediction of helicopter main rotor noise due to ingestion of atmospheric turbulence was analyzed. The analysis combines several different models that describe the fluid mechanics of the turbulence and the ingestion process. Two models, atmospheric turbulence, and mean flow and turbulence contraction were covered. The third model, covered in a separate report, describes the rotor acoustic mode. The method incorporates the atmospheric turbulence model and a rapid distortion turbulence contraction description to determine the statistics of the anisotropic turbulence at the rotor plane. The analytical basis for a module was provided which was incorporated in NASA's ROTONET helicopter noise prediction program. The mean flow and turbulence statistics associated with the atmospheric boundary layer were modeled including effects of atmospheric stability length, wind speed, and altitude. The turbulence distortion process is modeled as a deformation of vortex filaments (which represent the turbulence field) by a mean flow field due to the rotor inflow.

Simonich, J. C.↗

NASA NTRS1993

Perpendicular blade vortex interaction and its implications for helicopter noise prediction: Wave-number frequency spectra in a trailing vortex for BWI noise prediction

Perpendicular blade vortex interactions are a common occurrence in helicopter rotor flows. Under certain conditions they produce a substantial proportion of the acoustic noise. However, the mechanism of noise generation is not well understood. Specifically, turbulence associated with the trailing vortices shed from the blade tips appears insufficient to account for the noise generated. The hypothesis that the first perpendicular interaction experienced by a trailing vortex alters its turbulence structure in such a way as to increase the acoustic noise generated by subsequent interactions is examined. To investigate this hypothesis a two-part investigation was carried out. In the first part, experiments were performed to examine the behavior of a streamwise vortex as it passed over and downstream of a spanwise blade in incompressible flow. Blade vortex separations between +/- one eighth chord were studied for at a chord Reynolds number of 200,000. Three-component velocity and turbulence measurements were made in the flow from 4 chord lengths upstream to 15 chordlengths downstream of the blade using miniature 4-sensor hot wire probes. These measurements show that the interaction of the vortex with the blade and its wake causes the vortex core to loose circulation and diffuse much more rapidly than it otherwise would. Core radius increases and peak tangential velocity decreases with distance downstream of the blade. True turbulence levels within the core are much larger downstream than upstream of the blade. The net result is a much larger and more intense region of turbulent flow than that presented by the original vortex and thus, by implication, a greater potential for generating acoustic noise. In the second part, the turbulence measurements described above were used to derive the necessary inputs to a Blade Wake Interaction (BWI) noise prediction scheme. This resulted in significantly improved agreement between measurements and calculations of the BWI noise spectrum especially for the spectral peak at low frequencies, which previously was poorly predicted.

Devenport, William J.↗

NASA NTRS2000

Predictive and Neural Predictive Control of Uncertain Systems

Accomplishments and future work are:(1) Stability analysis: the work completed includes characterization of stability of receding horizon-based MPC in the setting of LQ paradigm. The current work-in-progress includes analyzing local as well as global stability of the closed-loop system under various nonlinearities; for example, actuator nonlinearities; sensor nonlinearities, and other plant nonlinearities. Actuator nonlinearities include three major types of nonlineaxities: saturation, dead-zone, and (0, 00) sector. (2) Robustness analysis: It is shown that receding horizon parameters such as input and output horizon lengths have direct effect on the robustness of the system. (3) Code development: A matlab code has been developed which can simulate various MPC formulations. The current effort is to generalize the code to include ability to handle all plant types and all MPC types. (4) Improved predictor: It is shown that MPC design using better predictors that can minimize prediction errors. It is shown analytically and numerically that Smith predictor can provide closed-loop stability under GPC operation for plants with dead times where standard optimal predictor fails. (5) Neural network predictors: When neural network is used as predictor it can be shown that neural network predicts the plant output within some finite error bound under certain conditions. Our preliminary study shows that with proper choice of update laws and network architectures such bound can be obtained. However, much work needs to be done to obtain a similar result in general case.

Kelkar, Atul G.↗

NASA NTRS2002

The Impact of Land Initialization and Assimilation on Climate Predictability and Prediction

Analysis will be presented which explores the impact of land conditions on monthly to seasonal climate simulations in a variety of atmospheric general circulation models (AGCMs). In one set of experiments, the Geophysical Fluid Dynamics Laboratory (GDFL) AGCM is used to explore the nature of soil-moisture predictability and associated climate predictability as an initial value problem. For another set of experiments, the Center for Ocean Land Atmosphere (COLA) and the Goddard Earth Observing System 2 (GEOS-2) AGCMs are used to investigate the impact of realistic snow initialization and assimilation in retrospective climate forecasts for the northern hemisphere spring (March-June).

Schlosser, C. Adam↗

NASA NTRS2011

Predicting Hydrological Drought: Relative Contributions of Soil Moisture and Snow Information to Seasonal Streamflow Prediction Skill

in this study we examine how knowledge of mid-winter snow accumulation and soil moisture conditions contribute to our ability to predict streamflow months in advance. A first "synthetic truth" analysis focuses on a series of numerical experiments with multiple sophisticated land surface models driven with a dataset of observations-based meteorological forcing spanning multiple decades and covering the continental United States. Snowpack information by itself obviously contributes to the skill attained in streamflow prediction, particularly in the mountainous west. The isolated contribution of soil moisture information, however, is found to be large and significant in many areas, particularly in the west but also in region surrounding the Great Lakes. The results are supported by a supplemental, observations-based analysis using (naturalized) March-July streamflow measurements covering much of the western U.S. Additional forecast experiments using start dates that span the year indicate a strong seasonality in the skill contributions; soil moisture information, for example, contributes to kill at much longer leads for forecasts issued in winter than for those issued in summer.

Koster, R.↗