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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Building Model Calibration: Validation of GridLAB-D Thermal Dynamics Modeling

This report investigates how well GridLAB-D’s house model characterizes the thermal dynamics of buildings given the overpredicted diurnal electric load swing observed in the Distribution System Operation with Transactive (DSO+T) study. This study seeks to validate GridLAB-D’s house model by calibrating it to data from the well-instrumented Pacific Northwest National Laboratory Lab Homes in Richland, WA. The datasets chosen included multiple pre-cooling and pre-heating testing periods where the indoor air temperature was allowed to float over a multi-hour length of time to mimic diurnal behavior. The multi-season calibrations were evaluated by comparing the heating/cooling electric power, indoor air temperature, and the rise/decay time during temperature float periods with Lab Homes data. The default GridLAB-D assumptions for latent load fraction, air heat capacity, mass heat capacity, window-to-wall-ratio, overall envelope conductance (assumed as NORMAL thermal integrity level), and solar heat gain coefficient were compared with the calibrated model to confirm when the default assumptions were adequate and the impact of calibration on the accuracy of modeling the thermal dynamics of homes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Charge densities in actinide compounds: strategies for data reduction and model building

The data quality requirements for charge density studies on actinide compounds are extreme. Important steps in data collection and reduction required to obtain such data are summarized and evaluated. The steps involved in building an augmented Hansen–Coppens multipole model for an actinide pseudo-atom are provided. The number and choice of radial functions, in particular the definition of the core, valence and pseudo-valence terms are discussed. The conclusions in this paper are based on a re-examination and improvement of a previously reported study on [PPh 4 ][UF 6 ]. Topological analysis of the total electron density shows remarkable agreement between experiment and theory; however, there are significant differences in the Laplacian distribution close to the uranium atoms which may be due to the effective core potential employed for the theoretical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A Mobility-Driven Approach to Modeling Building Energy

Buildings are one of the primary energy consumers in any city's energy use [12]. Presence and absence of humans is a major contributing factor to the energy use in a building. In this paper, we present an approach to generating a realistic model of human building occupancy throughout a typical work week. We use the Toolbox for Urban Mobility Systems (TUMS) to generate a synthetic population based on population distribution estimates, we schedule the population's daily commute based on National Household Travel Survey (NHTS) survey data, and we simulate their daily travel patterns using an agent-based transportation simulation (TRANSIMS). We process and fuse the simulation output to produce a list of the first and last seen location of each agent in the simulation. Based on the arrival at the last destination, we map each agent to one of the nearby buildings. Using these agent arrivals, as well as NHTS data, we create an hourly occupancy schedule for each building. We successfully demonstrate this workflow at the example of the Chicago Loop, a major business district in Chicago, Illinois.

Berres, Andy↗
DOE OSTI2021

Protein identification from electron cryomicroscopy maps by automated model building and side-chain matching

Using single-particle electron cryo-microscopy (cryo-EM), it is possible to obtain multiple reconstructions showing the 3D structures of proteins imaged as a mixture. Here, it is shown that automatic map interpretation based on such reconstructions can be used to create atomic models of proteins as well as to match the proteins to the correct sequences and thereby to identify them. This procedure was tested using two proteins previously identified from a mixture at resolutions of 3.2 Å, as well as using 91 deposited maps with resolutions between 2 and 4.5 Å. The approach is found to be highly effective for maps obtained at resolutions of 3.5 Å and better, and to have some utility at resolutions as low as 4 Å.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRSDate not supplied

Expedited Model Building Method for Rocket Nozzle Side Loading

Statistical analysis of test data is currently the preferred method of creating models for uncharacterized side loading in rocket nozzles. However, statistical analysis requires multiple data sets to be reliable; getting these sets requires building and testing multiple rocket motors, which is not feasible given the incredible time and cost required to do so. By using a combination of geometry, simplified finite element analysis (FEA) analogs, and algebra we can create a limited predictive model from only one test data set. Once created, the model requires only the input from one strain gauge located at each yaw and pitch attachment bracket for the actuation system. This process is not computationally intensive, therefore saving an abundance of time and budget over using full 3D FEA models to develop a similar predictive model. To develop the model, conversion factors between the strain at the gauge locations and corresponding actuator load is derived from the data. These conversion factors are used to create a “conversion ellipse” that bounds the constitutive properties of the nozzle as one lumped factor. Using a 2D cross-sectional analog of the nozzle exit plane, we create a function that allows us to determine the azimuthal location of the unexpected load based on the ratio between yaw and pitch strain readings. Combining this with the “conversion ellipse” yields a function that given the strain reading outputs an induced actuator load, regardless of the azimuthal location of the unexpected load. As previously mentioned, this predictive model is limited in its application as there is inaccuracy introduced by the use of data by only one test as well as simplifying assumptions. This approach makes a useful tool to quickly determine whether uncharacterized actuator loading events can damage actuation systems or induce loading that exceeds design limits.

Seetha A Kolli↗
DOE OSTI2022

Early-Universe Model Building

Theoretical investigations into the evolution of the early universe are an essential part of particle physics that allow us to identify viable extensions to the Standard Model as well as motivated parameter space that can be probed by various experiments and observations. In this white paper, we review particle physics models of the early universe. First, we outline various models that explain two essential ingredients of the early universe (dark matter and baryon asymmetry) and those that seek to address current observational anomalies. We then discuss dynamics of the early universe in models of neutrino masses, axions, and several solutions to the electroweak hierarchy problem. Finally, we review solutions to naturalness problems of the Standard Model that employ cosmological dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

A Case Study of the Glycoside Hydrolase Enzyme Mechanism Using an Automated QM-Cluster Model Building Toolkit

Glycoside hydrolase enzymes are important for hydrolyzing the β-1,4 glycosidic bond in polysaccharides for deconstruction of carbohydrates. The two-step retaining reaction mechanism of Glycoside Hydrolase Family 7 (GH7) was explored with different sized QM-cluster models built by the Residue Interaction Network ResidUe Selector (RINRUS) software using both the wild-type protein and its E217Q mutant. The first step is the glycosylation, in which the acidic residue 217 donates a proton to the glycosidic oxygen leading to bond cleavage. In the subsequent deglycosylation step, one water molecule migrates into the active site and attacks the anomeric carbon. Residue interaction-based QM-cluster models lead to reliable structural and energetic results for proposed glycoside hydrolase mechanisms. The free energies of activation for glycosylation in the largest QM-cluster models were predicted to be 19.5 and 31.4 kcal mol −1 for the wild-type protein and its E217Q mutant, which agree with experimental trends that mutation of the acidic residue Glu217 to Gln will slow down the reaction; and are higher in free energy than the deglycosylation transition states (13.8 and 25.5 kcal mol −1 for the wild-type protein and its mutant, respectively). For the mutated protein, glycosylation led to a low-energy product. This thermodynamic sink may correspond to the intermediate state which was isolated in the X-ray crystal structure. Hence, the glycosylation is validated to be the rate-limiting step in both the wild-type and mutated enzyme.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Linking habitat suitability with a longleaf pine-hardwood model: Building a species-predictive fire-land management framework

Active management of fire-dependent ecosystems for specific species leads to complex tradeoffs, which affect conservation outcomes to other species. Therefore a multi-species evaluation of management actions is required. Habitat Suitability Models (HSMs) can help in predicting the likelihood of species occurrence using corresponding environmental variables and empirical relationships that link occurrence with specific environmental conditions. Incorporating multiple species into HSMs and relating them to habitat dynamics is crucial for ecosystems that require active management with prescribed fire. To address this issue, we developed multi-species HSM driven within an existing population model of the longleaf pine-hardwood ecosystem to assess the suitability of an ecosystem given different fire management strategies and environmental conditions. The population model used in this study provides spatial and temporal changes of longleaf pine-hardwood habitat structure in response to fire. These habitat values are used by the HSM to calculate habitat suitability for three threatened and endangered faunal species of this ecosystem, which all thrive with frequent fire, but have unique habitat requirements. Transient habitat conditions are traced to predict longleaf pine ecosystem trajectories under various management strategies, thereby evaluating current land management actions, such as thinning or prescribed fire frequencies. We tested a suite of environmental conditions to emphasize the sensitivity of the species to different fire management actions. The results of our modeling suggest that maximum suitable habitat for all three species can be achieved with fire frequency occurring at approximately once every three years. The modeling results support current management actions and provide a new habitat assessment tool that incorporates ecological factors for multiple species, thus providing for habitat optimization.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Analysis of Building Model Forecasts using Autonomous HVAC Optimization System for Residential Neighborhood

Heating, ventilation, and air conditioning (HVAC) systems account for the highest share of home energy consumption in the United States. Optimized HVAC control can provide thermal improved comfort to the occupants, improve energy efficiency, reduce energy cost, and support grid services. In this paper, we discuss a multi-agent and cloud-based software framework that has been deployed in occupied residential neighborhood. This system enables automatic data collection, learning, optimization, and dispatches signals to neighborhood devices. HVAC optimization is based on model predictive control (MPC). Since the operational performance of MPC depends on model forecasting accuracy, it is crucial to evaluate the model continuously and modify or retrain it as necessary. In this research, we developed an automated workflow to evaluate the performance of temperature and power forecasts based on measured data in the real world. This will provide researchers with a deeper understanding of the model and how it can be improved.

Lebakula, Viswadeep↗
DOE OSTI2020

Building models of inflation in no-scale supergravity

After reviewing the motivations for cosmological inflation formulated in the formalism of supersymmetry, we argue that the appropriate framework is that of no-scale supergravity. We then show how to construct within this framework inflationary models whose predictions for the tilt in the spectrum of scalar perturbations, n s , and the ratio, r, of tensor and scalar perturbations coincide with those of the R+R 2 model of inflation proposed by Starobinsky. Here, a more detailed study of no-scale supergravity reveals a structure that is closely related to that of R 2 modifications of the minimal Einstein–Hilbert action for general relativity, opening avenues for constructing no-scale de Sitter and anti-de Sitter models by combining pairs of Minkowski models, as well as generalizations of the original no-scale Starobinsky models of inflation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1989

Multibody dynamics model building using graphical interfaces

In recent years, the extremely laborious task of manually deriving equations of motion for the simulation of multibody spacecraft dynamics has largely been eliminated. Instead, the dynamicist now works with commonly available general purpose dynamics simulation programs which generate the equations of motion either explicitly or implicitly via computer codes. The user interface to these programs has predominantly been via input data files, each with its own required format and peculiarities, causing errors and frustrations during program setup. Recent progress in a more natural method of data input for dynamics programs: the graphical interface, is described.

Macala, Glenn A.↗
NASA NTRS1997

Response Surface Model Building Using Orthogonal Arrays for Computer Experiments

This study investigates response surface methods for computer experiments and discusses some of the approaches available. Orthogonal arrays constructed for computer experiments are studied and an example application to a technology selection and optimization study for a reusable launch vehicle is presented.

Unal, Resit↗