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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 1,081 records · Page 60
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Case study of a bore wind-ramp event from lidar measurements and HRRR simulations over ARM Southern Great Plains

The rapid change of wind speed and direction on 21 August 2017 is studied using Doppler lidar measurements at five sites of the Atmospheric Radiation Measurement (ARM) Southern Great Plains (SGP) facility in north-central Oklahoma. The Doppler lidar data were investigated along with meteorological variables such as temperature, humidity, and turbulence available from the large suite of instrumentation deployed at the SGP Central Facility (C1) during the Land-Atmosphere Feedback Experiment in August 2017. Lidar measurements at five sites, separated by 55-70 km, allowed us to document the development and evolution of the wind flow over the SGP area, examine synoptic conditions to understand the mechanism that leads to the ramp event, and estimate the ability of the High-Resolution Rapid Refresh model to reproduce this event. The flow feature in question is an atmospheric bore, a small-scale phenomenon that is challenging to represent in models, that was generated by a thunderstorm outflow northwest of the ARM SGP area. The small-scale nature of bores, its impact on power generation, and the modeling challenges associated with representing bores are discussed in this paper. In conclusion, the results also provide information about model errors between sites of different surface and vegetation types.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2013

Comment: Spurious Correlation and Other Observations on Experimental Design for Engineering Dimensional Analysis

This article discusses the paper "Experimental Design for Engineering Dimensional Analysis" by Albrecht et al. (2013, Technometrics). That paper provides and overview of engineering dimensional analysis (DA) for use in developing DA models. The paper proposes methods for generating model-robust experimental designs to supporting fitting DA models. The specific approach is to develop a design that maximizes the efficiency of a specified empirical model (EM) in the original independent variables, subject to a minimum efficiency for a DA model expressed in terms of dimensionless groups (DGs). This discussion article raises several issues and makes recommendations regarding the proposed approach. Also, the concept of spurious correlation is raised and discussed. Spurious correlation results from the response DG being calculated using several independent variables that are also used to calculate predictor DGs in the DA model.

Dimensional analysis↗
DOE OSTI2020

Development of new baseline models for U.S. medium office buildings based on commercial buildings energy consumption survey data

Building energy estimation for the building sector under various scenarios are needed for building energy regulation and policy making. This often starts with representative baselines (either empirical baseline or modeled baseline). Commercial Buildings Energy Consumption Survey (CBECS) data is a widely used empirical baseline for U.S. commercial buildings, but none of the existing baseline model are developed to represent the CBECS data. This paper aims to develop new baseline models for the U.S. medium office buildings, which can produce modeled baselines consistent with the CBECS data. Here, we introduced the methodology to create baseline models and the criteria to evaluate the performance of baseline models. The methodology consists of three phases: (1) identification of model inputs, (2) model calibration, and (3) model validation with uncertainty analysis. The evaluation index is the coefficient of variation of the root-mean-square deviation (CV(RMSD)) of site energy use intensities (EUIs) between the modeled baseline and empirical baseline. Then 30 new baseline models for two vintages (pre- and post-1980) and 15 climate zones were created. The evaluation shows that the CV(RMSD) is lower than 0.05 for the modeled baselines produced by the new baseline models. As a comparison, the CV(RMSD) is higher than 0.1 for the existing modeled baselines generated by DOE Commercial Reference Building Models. Further analysis shows that the new baseline models are able to capture the uncertainties of the representative features of existing buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2017

Feedback control design for non-inductively sustained scenarios in NSTX-U using TRANSP

This paper examines a method for real-time control of non-inductively sustained scenarios in NSTX-U by using TRANSP, a time-dependent integrated modeling code for prediction and interpretive analysis of tokamak experimental data, as a simulator. The actuators considered for control in this work are the six neutral beam sources and the plasma boundary shape. To understand the response of the plasma current, stored energy, and central safety factor to these actuators and to enable systematic design of control algorithms, simulations were run in which the actuators were modulated and a linearized dynamic response model was generated. A multi-variable model-based control scheme that accounts for the coupling and slow dynamics of the system while mitigating the effect of actuator limitations was designed and simulated. Simulations show that modest changes in the outer gap and heating power can improve the response time of the system, reject perturbations, and track target values of the controlled values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Feedback control design for non-inductively sustained scenarios in NSTX-U using TRANSP

This paper examines a method for real-time control of non-inductively sustained scenarios in NSTX-U by using TRANSP,a time-dependent integrated modeling code for prediction and interpretive analysis of tokamak experimental data, as asimulator. The actuators considered for control in this work are the six neutral beam sources and the plasma boundaryshape. To understand the response of the plasma current, stored energy, and central safety factor to these actuatorsand to enable systematic design of control algorithms, simulations were run in which the actuators were modulated anda linearized dynamic response model was generated. A multi-variable model-based control scheme that accounts for thecoupling and slow dynamics of the system while mitigating the effect of actuator limitations was designed andsimulated. Simulations show that modest changes in the outer gap and heating power can improve the response time ofthe system, reject perturbations, and track target values of the controlled values.

Predictive simulations↗
DOE OSTI2025

Firm Synthesizer and Supply-chain Simulator (SynthFirm) v2.0

SynthFirm is a national-scale agent-based freight demand model which generates a complete synthetic population of firms in the U.S. and the business-to-business commodity flows between them. Using publicly available data sources as inputs, SynthFirm simulates detailed firm and fleet characteristics, commodity production and consumption, formation of supply chains, and selection of shipping modes, all of which are essential drivers of commodity flow at a disaggregate level. The SynthFirm 2.0 version includes national commercial vehicle fleet generation, international trade simulation and automized model validation pipeline, which allows seemless deployment across the nation and build a comprehensive freight inventories at national scale or for selected region.

Yang, Hung-Chia [Lawrence Berkeley National Labora↗
DOE OSTI2023

Biophysical Impact of Land-Use and Land-Cover Change on Subgrid Temperature in CMIP6 Models

In this study, we investigate the air temperature response to land-use and land-cover change (LULCC; cropland expansion and deforestation) using subgrid land model output generated by a set of CMIP6 model simulations. Our study is motivated by the fact that ongoing land-use activities are occurring at local scales, typically significantly smaller than the resolvable scale of a grid cell in Earth system models. It aims to explore the potential for a multimodel approach to better characterize LULCC local climatic effects. On an annual scale, the CMIP6 models are in general agreement that croplands are warmer than primary and secondary land (psl; mainly forests, grasslands, and bare ground) in the tropics and cooler in the mid–high latitudes, except for one model. The transition from warming to cooling occurs at approximately 40°N. Although the surface heating potential, which combines albedo and latent heat flux effects, can explain reasonably well the zonal mean latitudinal subgrid temperature variations between crop and psl tiles in the historical simulations, it does not provide a good prediction on subgrid temperature for other land tile configurations (crop vs forest; grass vs forest) under Shared Socioeconomic Pathway 5–8.5 (SSP5–8.5) forcing scenarios. A subset of simulations with the CESM2 model reveals that latitudinal subgrid temperature variation is positively related to variation in net surface shortwave radiation and negatively related to variation in the surface energy redistribution factor, with a dominant role from the latter south of 30°N. We suggest that this emergent relationship can be used to benchmark the performance of land surface parameterizations and for prediction of local temperature response to LULCC.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2011

US Renewable Futures in the GCAM

This project examines renewable energy deployment in the United States using a version of the GCAM integrated assessment model with detailed a representation of renewables, the GCAM-RE. Electricity generation was modeled in four generation segments and 12-subregions. This level of regional and sectoral detail allows a more explicit representation of renewable energy generation. Wind, solar thermal power, and central solar PV plants are implemented in explicit resource classes with new intermittency parameterizations appropriate for each technology. A scenario analysis examines a range of assumptions for technology characteristics, climate policy, and long-distance transmission. We find that renewable generation levels grow over the century in all scenarios. As expected, renewable generation increases with lower renewable technology costs, more stringent climate policy, and if alternative low-carbon technology are not available. The availability of long distance transmission lowers policy costs and changes the renewable generation mix.

14 SOLAR ENERGY↗
DOE OSTI2020

Global Teleconnections: Atmospheric Interactions Across Scales [Slides]

This project aims at an improved understanding of non-hydrostatic dynamics in atmospheric modeling using the DOE’s next generation climate model. One aspect that we have been focusing on is baroclinic instability which is closely related to mid-latitude cyclone genesis. The other aspect that we recently developed is E3SM simulations under Radiative-Convective Equilibrium (RCE), a prototype of tropical climate.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

42 ENGINEERING↗
DOE OSTI2021

Development of the IES Plug-and-Play Framework

This report discusses the status of the flexible plug-and-play framework development currently ongoing that aims to integrate Modelica/Dymola with the Risk Analysis and Virtual ENvironment (RAVEN) software in terms of both Functional Mock-Up Interface (FMI)/Functional Mock-Up Unit (FMU) construction and repository structures that aim to ease the sharing and simulation of complex dynamic models. This report aims to provide an overview of all the performed activities resolving around the deployment of methods, software infrastructures, guidelines and workflow for the construction and usage of models, encapsulated using the FMI/FMU protocols and standards. In particular, the report is organized in three main macro-subjects, which are connected to each other: - FMI/FMU adaptors for modelica models - HYBRID repository new structure and open-source deployment - RAVEN FMI/FMU exporting capabilities and Artificial Intelligence (AI)-based analysis acceleration. The first part of the report discusses the FMI/FMU adaptors that have been created within the HYBRID repository to allow users to quickly export models, such as FMUs. Several examples are shown that highlight the step-by-step process of converting an existing Modelica model into an FMU for use within the Dymola platform. Simulation results demonstrate that, while minor differences may occur, the overall control, trends, and solution integrity are maintained between standard Modelica simulation and FMU simulation results. However, it is worth noting that, for small systems, the FMU results have a slower simulation time than the Modelica only simulation. Using this process, a company can provide models that contain proprietary information to entities without disclosing any of the information about the model that could be considered business sensitive. Such an ability would allow institutions to bypass the necessity of “whitewashing” data. In the second part of the report, the new structure of the HYBRID repository is discussed with a major focus on the series of updates that has been completed. These updates include the addition of Modelica system-level regression tests and software quality assurance documentation that ensure that modifications to the Modelica models do not alter system-level model results. The third and final part of the report aims to report the work that has been performed for the deployment of methods and workflows for the construction of RAVEN AI-based models compliant with the FMI/FMU standard. Such development represents the key for the deployment of the concept of “Flexible ecosystem” since it allows for the replacement of high-fidelity modelica models (or any other FMI/FMU compliant model) with RAVEN generated AI surrogate models. Overall, extensive work has been completed on developing FMUs and FMIs from existing models, understanding the requirements and limitations of FMUs, and open-sourcing the HYBRID repository with an integrated regression system.

14 SOLAR ENERGY↗
DOE OSTI2023

Porting the WAVEWATCH III (v6.07) wave action source terms to GPU

Abstract. Surface gravity waves play a critical role in several processes, including mixing, coastal inundation, and surface fluxes. Despite the growing literature on the importance of ocean surface waves, wind–wave processes have traditionally been excluded from Earth system models (ESMs) due to the high computational costs of running spectral wave models. The development of the Next Generation Ocean Model for the DOE’s (Department of Energy) E3SM (Energy Exascale Earth System Model) Project partly focuses on the inclusion of a wave model, WAVEWATCH III (WW3), into E3SM. WW3, which was originally developed for operational wave forecasting, needs to be computationally less expensive before it can be integrated into ESMs. To accomplish this, we take advantage of heterogeneous architectures at DOE leadership computing facilities and the increasing computing power of general-purpose graphics processing units (GPUs). This paper identifies the wave action source terms, W3SRCEMD, as the most computationally intensive module in WW3 and then accelerates them via GPU. Our experiments on two computing platforms, Kodiak (P100 GPU and Intel(R) Xeon(R) central processing unit, CPU, E5-2695 v4) and Summit (V100 GPU and IBM POWER9 CPU) show respective average speedups of 2× and 4× when mapping one Message Passing Interface (MPI) per GPU. An average speedup of 1.4× was achieved using all 42 CPU cores and 6 GPUs on a Summit node (with 7 MPI ranks per GPU). However, the GPU speedup over the 42 CPU cores remains relatively unchanged (∼ 1.3×) even when using 4 MPI ranks per GPU (24 ranks in total) and 3 MPI ranks per GPU (18 ranks in total). This corresponds to a 35 %–40 % decrease in both simulation time and usage of resources. Due to too many local scalars and arrays in the W3SRCEMD subroutine and the huge WW3 memory requirement, GPU performance is currently limited by the data transfer bandwidth between the CPU and the GPU. Ideally, OpenACC routine directives could be used to further improve performance. However, W3SRCEMD would require significant code refactoring to make this possible. We also discuss how the trade-off between the occupancy, register, and latency affects the GPU performance of WW3.

58 GEOSCIENCES↗
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

Synthetic data generation for machine learning model training for energy theft scenarios using cosimulation

Abstract Technical and non‐technical losses in distribution circuits result in significant economic costs to power utilities. One type of non‐technical loss is energy theft by various means including illegal tapping of feeders, bypassing the meter, and billing fraud. These losses are usually hard to detect, and can remain undetected for long periods of time. Machine learning models have been proven effective in detecting these conditions, but rely on the availability of large, good‐quality training data sets. The problem is exacerbated by the imbalanced nature of data related to these conditions—energy theft, though costly, is very rare. The available data sets generally have very few samples of theft with most of the data pertaining to normal operation. Such data sets are generally not suitable to train machine learning models. In this paper, an overview of energy theft detection techniques, the challenges with their data needs, and the limitations of current techniques to bridge such data limitations is presented. A co‐simulation framework is proposed to generate reliable training data for machine learning algorithms for theft detection. An example scenario is presented and a machine learning model is built to detect certain kinds of energy theft.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Modeling of Radiolytic Hydrogen Generation of Irradiated Surrogate Aluminum Plates

The hydrogen generation from oxyhydroxide layers under irradiation is an important effect to understand for the long-term storage of aluminum-clad spent nuclear fuel. The original chemical model shows steady production of hydrogen from aluminum oxyhydroxide layers, with no roll-over effect in the curves of the hydrogen concentration until significant pressure has built up within the canister. This study uses a variety of kinetic fits to adjust the old chemical model to have roll-over effects that are consistent with new high-dose experiments. The data from aluminum 6061 coupon tests at high doses were used to fit several kinetic models. The 6061 aluminum samples are representative of the aluminum-clad fuel from the ATR. The fitted kinetic models were then used in a model of a mini-canister with much higher packing density to determine which kinetic rates would fit both sets of experimental tests. The rate constants for the kinetic mechanisms that were close were then tweaked such that the chemical models fit both the experimental data from the capsule tests and the data from the mini-canister tests. The kinetic models which fit the best are either inhibition by hydrogen, or a back reaction wherein H radical is reabsorbed onto the oxyhydroxide layer. The H back reaction rolls over quicker and may fit future collected data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Modeling and optimization of solar thermoelectric generators for terrestrial applications

We introduce a model and an optimization methodology for terrestrial solar thermoelectric generators (STEGs). We describe, discuss, and justify the necessary constraints on the STEG geometry that make the STEG optimization independent of individual dimensions. A simplified model shows that the thermoelectric elements in STEGs can be scaled in size without affecting the overall performance of the device, even when the properties of the thermoelectric material and the solar absorber are temperature-dependent. Consequently, the amount of thermoelectric material can be minimized to be only a negligible fraction of the total system cost. As an example, a Bi 2 Te 3 -based STEG is optimized for rooftop power generation. Peak efficiency is predicted to be 5% at the standard spectrum AM1.5G, with the thermoelectric material cost below 0.05 $/W p . Integrating STEGs into solar hot water systems for cogeneration adds electricity at minimal extra cost. In such cogeneration systems the electric current can be adjusted throughout the day to favor either electricity or hot water production.

14 SOLAR ENERGY↗
DOE OSTI2025

Towards Automated Reasoning Chains for Verification of LLM-Generated Scientific Code

With the rise of Large Language Model (LLM) generated code, including in domains like scientific computing, ensuring not only syntactical, but also mathematical correctness, has become a critical task. Traditional formal methods approaches often struggle with the ambiguity of floating-point code, and full symbolic execution is extremely costly and limited. We propose a chain-of-reasoning approach that iteratively lifts basic semantics from code into the SPIRAL system and then establishes numerical equivalency to the desired mathematical operation. Here, we leverage the ample mathematical knowledge already formalized in SPIRAL to enable the system to recognize not just different implementations of the same algorithm but fully separate approaches to solving the given problem. The chain establishes tight error bounds on the output of given code with respect to the true continuous solution it approximates, quantifying all sources of error. We demonstrate this approach by establishing the correctness of a pseudospectral solver for a simple 1-dimensional Poisson problem.

Oschatz, Quentin [Carnegie Mellon University,Pitts↗