SEARCH · Search NASA

Results for “Bounding boxes”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 91 records · Page 5

All sources NASA NTRS DOE OSTI

DOE OSTI2023

zPerf: A Statistical Gray-Box Approach to Performance Modeling and Extrapolation for Scientific Lossy Compression

With the scaling up of simulation-based scientific discovery on high-performance computing systems, the disparity between compute and I/O has increased, forcing domain scientists to save only a small amount of simulation data to persistent storage. This can result in the loss of essential physics fields that are needed for data analysis. While error-bounded lossy compression has made tremendous progress in bridging the gap between compute and I/O, the lack of understanding of compression performance remains a key hurdle to its wide adoption. Here, in this work, we present zPerf, a statistical gray-box performance modeling approach for scientific lossy compression. Our contributions are threefold: 1) We develop zPerf to estimate the performance of lossy compression techniques, based on in-depth understanding and statistical modeling for data features and core compression metrics; 2) We demonstrate the in-detailed implementation of zPerf using two case studies, where we derive the performance modeling for SZ and ZFP, two leading lossy compressors; 3) We evaluate the effectiveness of zPerf on real-world datasets across various domains. Based on the evaluation, we demonstrate the efficacy of the zPerf performance model; 4) We further discuss three case studies where zPerf is applied to extrapolate the compression ratio of SZ and ZFP with alternative encoding schemes as well as ZFP with an alternative transform scheme. Through the case studies, we demonstrate the potential of zPerf for exploring the design space of lossy compression, which has hardly been studied in the literature.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

2024 Results for Avian Monitoring at the Technical Area 36 Minie Site, Technical Area 39 Point 6, Technical Area 16 Burn Ground, and DARHT at Los Alamos National Laboratory

Los Alamos National Laboratory (LANL) biological subject matter experts in the Environmental Protection and Compliance Division initiated a multi-year program in 2013 to monitor avifauna (birds) at two open detonation sites and one open burn site on LANL property. Additional monitoring began in 2017 at a third firing site, the Dual-Axis Radiographic Hydrodynamic Test (DARHT) Facility. In this annual report, we compare monitoring results from these efforts among years to identify and evaluate firing and open burn site impacts on the local bird community. The objectives of this study are • to determine whether LANL operations impact bird abundance, species richness, or diversity; • to examine occupancy and nest success of secondary-cavity nesting birds that use nest boxes; and • to examine chemical concentrations (such as radionuclides, inorganic elements, and/or organic compounds) in nonviable eggs and deceased nestlings that are collected opportunistically with the upper-level bounds of background concentrations, when available. During May through July 2024, LANL biologists completed multiple avian point count surveys at each of the following treatment sites: • Technical Area (TA) 36 Minie Site, • TA-39 Point 6, • TA-16 Burn Ground, and • DARHT. We recorded a total of 1,088 birds that represented 65 species at the four treatment sites and compared these results with data from their associated control sites. In 2024, abundance and species richness at treatment and control sites continued to trend similarly from year to year, with minor random deviations expected from bird communities. Species richness at firing sites differed little from the previous year’s values. Two new bird species were observed at the firing sites—cedar waxwing (Bombycilla cedrorum) and pinyon jay (Gymnorhinus cyanocephalus). Shannon diversity values at TA-36 Minie Site, TA-39, and DARHT were statistically higher than one or more of their associated controls. Annual species diversity at treatment sites was high in 2024 across all firing sites relative to similar habitat control sites. We also monitored avian nest boxes to compare occupancy and nest success data from nest boxes at treatment sites with the overall avian nest box monitoring network and against a subset of relevant control sites. Nest box success has decreased at both treatment and control sites since monitoring began, suggesting that overlapping climatic factors are responsible for patterns of declining nest success. In 2024, nonviable avian eggs and one nestling were opportunistically collected at Bandelier National Monument, TA-16 Burn Ground, TA-36 Minie, TA-39 Point 6, and DARHT. All egg samples and the one nestling sample were evaluated for per- and polyfluoroalkyl substances, which were detected from all locations, including the control site at Bandelier National Monument. Overall results from 2024 continue to suggest that operations at the four treatment sites are not negatively impacting bird populations. This long-term project will continue to monitor for any changes over time.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2010

Orion Entry Performance-Based Center-of-Gravity Box

The Orion capsule is designed both for Low Earth Orbit missions to the ISS and for missions to the moon. For ISS class missions, the capsule will use an Apollo-style direct entry. For lunar return missions, depending on the timing of the mission, the capsule could perform a direct entry or a skip entry of up to 4800 n.mi. in order to land in the coastal waters of California. The physics of atmospheric re-entry determine the capability of the Orion vehicle. For a given vehicle mass and shape, physics tells us that the driving parameters for an entry vehicle are the hypersonic lift-to-drag ratio (L/D) and the flight path angle at entry interface (gamma(sub EI)). The design of the Orion atmospheric re-entry must meet constraints during both nominal and dispersed flight conditions on landing accuracy, heating rate, total heat load, sensed acceleration, and proper disposal of the Service Module. These constraints define an entry corridor in the space of L/D-gamma(sub EI); if the vehicle falls within this corridor, then all constraints are met. The gamma(sub EI) dimension of the corridor can be further constrained by the gloads experienced during emergency entries. Thus, the entry performance for the Orion vehicle can be described completely by the L/D. Bounds on the hypersonic L/D necessary to achieve all the mission requirements can be defined for the given entry corridor. Landing accuracy performance drives the lower limit on L/D. In order to achieve the desired landing accuracy, a minimum L/D must be ensured. The design of the Thermal Protection System (TPS) drives the upper limit on L/D. A higher L/D can drive mass into the design of the TPS. Conversely, once the TPS is designed, the L/D must be ensured to stay below a certain limit in order for the TPS to stay within its design envelop. The L/D must stay within its upper and lower bounds during dispersed flight conditions. L/D is a function of both the aerodynamics and the center-of-gravity (CG) of the vehicle. The aerodynamics of the vehicle are determined by Computational Fluid Mechanics (CFD) and wind tunnel tests. However, the aerodynamics are not known precisely. Instead, an aerodynamic database has been developed where the aerodynamic coefficients are known to fall within a probabilistic band defined by upper and lower bounds. It is expected that the probabilistic band will shrink after the first missions are flown and real-world data is collected. Until that time, the Orion must be designed to the current aerodynamic database. Thus, for a given aerodynamic database with given uncertainties, the allowable range in L/D can be mapped to an allowable box for the CG location. The CG box is used to set requirements on the dispersions allowed for vehicle packaging and cargo storage. As the aerodynamic uncertainties decrease, the size of the CG box can increase. This paper discusses the technique used to map the minimum and maximum L/D bounds set by the entry performance requirements to the allowable dispersions in CG while accounting for aerodynamic uncertainties. The L/D is defined as the ratio of the lift force to the drag force. It is equivalent to the ratio of lift coefficient (C(sub L)) over drag coefficient (C(sub D)). C(sub L) and C(sub D) are functions of Mach number (M) and angle of attack (alpha). A Mach number of 25 is used as a measuring point of the hypersonic L/D. Variations in C(sub L), C(sub D) and alpha cause variations in L/D. Equation (1) shows the three contributions to the variation in L/D.

Rea, Jeremy R.↗

DOE OSTI2020

Cloud-based implementation of white-box model predictive control for a GEOTABS office building: A field test demonstration

Model predictive control (MPC) has been proven in simulations and pilot case studies to be a superior control strategy for large buildings. MPC can utilize the weather and occupancy schedule forecasts, together with the system model, to predict the future thermal behavior of the building and minimize the overall energy use and maximize thermal comfort. However, these advantages come with the cost of increased modeling effort, computational demands, communication infrastructure, and commissioning efforts. Thus a typical approach is to, often rapidly, simplify the building modeling and MPC optimization problem while paying a price of not reaching the full performance potential. It has been shown that by employing accurate physics-based models, MPC performance can be notably increased closer to its theoretical performance bound. However, implementation of such high-fidelity MPC in real buildings remains a challenge, resulting in a lack of successful field test studies. This work presents the methodology and field test demonstration of a computationally efficient implementation of the white-box MPC in an office building in Belgium. The detailed model of the building is based on first-principle physical equations. The deployment and supervision of MPC operation in a practical setting are supported by an automated cloud-based communication infrastructure. The motivating factor behind the cloud-based architecture is its compatibility with a commercially appealing control as a service concept. The building is equipped with a ground source heat pump (GSHP) and thermally activated building structures (TABS), where the combination of both is also known as GEOTABS. From a control perspective, GEOTABS buildings are particularly challenging systems due to large scale, complex heating, ventilation and air conditioning (HVAC) system, and slow dynamics with time delays. On the other hand, there is an increased potential for energy savings due to the high thermal mass, which acts as thermal storage. The MPC operation is demonstrated during the challenging transient seasons (switching between heating and cooling), and its performance is compared to a traditional rule-based controller (RBC). We provide a proof of concept of real MPC operation for the most difficult seasons with notable GSHP energy use savings equal to 53.5% and thermal comfort improvement by 36.9%. Other MPC applications found in the literature describe tests for only cooling or only heating, and up to now only for a black-box or a grey-box approach.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2023

Unusual modifications of protein biomarkers expressed by plasmid, prophage, and bacterial host of pathogenic Escherichia coli identified using top‐down proteomic analysis

Rationale Pathogenic bacteria often carry prophage (bacterial viruses) and plasmids (small circular pieces of DNA) that may harbor toxin, antibacterial, and antibiotic resistance genes. Proteomic characterization of pathogenic bacteria should include the identification of host proteins and proteins produced by prophage and plasmid genomes. Methods Protein biomarkers of two strains of Shiga toxin–producingEscherichia coli(STEC) were identified using antibiotic induction, matrix‐assisted laser desorption/ionization tandem time‐of‐flight (MALDI‐TOF‐TOF) tandem mass spectrometry (MS/MS) with post‐source decay (PSD), top‐down proteomic (TDP) analysis, and plasmid sequencing. Alphafold2 was also used to compare predicted in silico structures of the identified proteins to prominent fragment ions generated using MS/MS‐PSD. Strain samples were also analyzed with and without chemical reduction treatment to detect the attachment of pendant groups bound by thioester or disulfide bonds. Results Shiga toxin was detected and/or identified in both STEC strains. For the first time, we also identified the osmotically inducible protein (OsmY) whose sequence unexpectedly had two forms: a full and a truncated sequence. The truncated OsmY terminates in the middle of an α‐helix as determined by Alphafold2. A plasmid‐encoded colicin immunity protein was also identified with and without attachment of an unidentified cysteine‐bound pendant group (~307 Da). Plasmid sequencing confirmed top‐down analysis and the identification of a promoter upstream of the immunity gene that is activated by antibiotic induction, that is, SOS box. Conclusions TDP analysis, coupled with other techniques (e.g., antibiotic induction, chemical reduction, plasmid sequencing, and in silico protein modeling), is a powerful tool to identify proteins (and their modifications), including prophage‐ and plasmid‐encoded proteins, produced by pathogenic microorganisms.

Biochemistry & Molecular Biology↗

NASA NTRS1994

The Accuracy of Parameter Estimation in System Identification of Noisy Aircraft Load Measurement

This thesis focuses on the subject of the accuracy of parameter estimation and system identification techniques. Motivated by a complicated load measurement from NASA Dryden Flight Research Center, advanced system identification techniques are needed. The objective of this problem is to accurately predict the load experienced by the aircraft wing structure during flight determined from a set of calibrated load and gage response relationship. We can then model the problem as a black box input-output system identification from which the system parameter has to be estimated. Traditional LS (Least Square) techniques and the issues of noisy data and model accuracy are addressed. A statistical bound reflecting the change in residual is derived in order to understand the effects of the perturbations on the data. Due to the intrinsic nature of the LS problem, LS solution faces the dilemma of the trade off between model accuracy and noise sensitivity. A method of conflicting performance indices is presented, thus allowing us to improve the noise sensitivity while at the same time configuring the degredation of the model accuracy. SVD techniques for data reduction are studied and the equivalence of the Correspondence Analysis (CA) and Total Least Squares Criteria are proved. We also looked at nonlinear LS problems with NASA F-111 data set as an example. Conventional methods are neither easily applicable nor suitable for the specific load problem since the exact model of the system is unknown. Neural Network (NN) does not require prior information on the model of the system. This robustness motivated us to apply the NN techniques on our load problem. Simulation results for the NN methods used in both the single load and the 'warning signal' problems are both useful and encouraging. The performance of the NN (for single load estimate) is better than the LS approach, whereas no conventional approach was tried for the 'warning signals' problems. The NN design methodology is also presented. The use of SVD, CA and Collinearity Index methods are used to reduce the number of neurons in a layer.

Kong, Jeffrey↗

NASA NTRS1993

Exact and quasi-classical density matrix and Wigner functions for a particle in the box and half space

The exact expressions for density matrix and Wigner functions of quantum systems are known only in special cases. Corresponding Hamiltonians are quadratic forms of Euclidean coordinates and momenta. In this paper we consider the problem of one-dimensional free particle movement in the bounded region 0 is less than x is less than a (including the case a = infinity).

Akhundova, E. A.↗

DOE OSTI2022

Model-based predictive control of multi-zone commercial building with a lumped building modelling approach

Here this study investigates the applicability of a lumped building modeling approach to model-based predictive control (MPC) to alleviate the complex modeling process of the grey-box multi-zone building model. Based on experimental data, two building models were estimated in this study. The detailed model as a reference case and a lumped model were estimated with decentralized and conventional approaches, respectively. Then, simulations were performed with two boundary conditions, including the comfort bound and electricity cost structure. The performances of the MPC with the detailed and lumped models were analyzed compared to the feedback control. More savings was achieved with a larger comfort bound and more aggressive electricity cost structure. The savings potential of the proposed lumped model approach was not as high as that of the detailed model. However, the proposed method yields good control performance, whose savings was approximately 8.6% over that of feedback control. These results suggest that the proposed method can be used to facilitate MPC implementation in multi-zone building applications.

42 ENGINEERING↗

DOE OSTI2023

Structural basis of TFIIIC-dependent RNA polymerase III transcription initiation

RNA polymerase III (Pol III) is responsible for transcribing 5S ribosomal RNA (5S rRNA), tRNAs, and other short non-coding RNAs. Its recruitment to the 5S rRNA promoter requires transcription factors TFIIIA, TFIIIC, and TFIIIB. Here, we use cryoelectron microscopy (cryo-EM) to visualize the S. cerevisiae complex of TFIIIA and TFIIIC bound to the promoter. Gene-specific factor TFIIIA interacts with DNA and acts as an adaptor for TFIIIC-promoter interactions. We also visualize DNA binding of TFIIIB subunits, Brf1 and TBP (TATA-box binding protein), which results in the full-length 5S rRNA gene wrapping around the complex. Our smFRET study reveals that the DNA within the complex undergoes both sharp bending and partial dissociation on a slow timescale, consistent with the model predicted from our cryo-EM results. Our findings provide new insights into the transcription initiation complex assembly on the 5S rRNA promoter and allow us to directly compare Pol III and Pol II transcription adaptations.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Cryo-EM structures of the small-conductance Ca 2+ -activated K Ca 2.2 channel

Small-conductance Ca 2+ -activated K + (K Ca 2.1-K Ca 2.3) channels modulate neuronal and cardiac excitability. We report cryo-electron microscopy structures of the K Ca 2.2 channel in complex with calmodulin and Ca 2+ , alone or bound to two small molecule inhibitors, at 3.18, 3.50, 2.99 and 2.97 angstrom resolution, respectively. Extracellular S3-S4 loops in β-hairpin configuration form an outer canopy over the pore with an aromatic box at the canopy’s center. Each S3-S4 β-hairpin is tethered to the selectivity filter in the neighboring subunit by inter-subunit hydrogen bonds. This hydrogen bond network flips the aromatic residue (Tyr362) in the filter’s GYG signature by 180°, causing the outer selectivity filter to widen and water to enter the filter. Disruption of the tether by a mutation narrows the outer selectivity filter, realigns Tyr362 to the position seen in other K + channels, and significantly increases unitary conductance. UCL1684, a mimetic of the bee venom peptide apamin, sits atop the canopy and occludes the opening in the aromatic box. AP14145, an analogue of a therapeutic for atrial fibrillation, binds in the central cavity below the selectivity filter and induces closure of the inner gate. These structures provide a basis for understanding the small unitary conductance and pharmacology of K Ca 2.x channels.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Leveraging interpolation models and error bounds for verifiable scientific machine learning

Effective verification and validation techniques for modern scientific machine learning workflows are challenging to devise. Statistical methods are abundant and easily deployed, but often rely on speculative assumptions about the data and methods involved. Error bounds for classical interpolation techniques can provide mathematically rigorous estimates of accuracy, but often are difficult or impractical to determine computationally. Here, in this work, we present a best-of-both-worlds approach to verifiable scientific machine learning by demonstrating that (1) multiple standard interpolation techniques have informative error bounds that can be computed or estimated efficiently; (2) comparative performance among distinct interpolants can aid in validation goals; (3) deploying interpolation methods on latent spaces generated by deep learning techniques enables some interpretability for black-box models. We present a detailed case study of our approach for predicting lift-drag ratios from airfoil images. Code developed for this work is available in a public Github repository.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Scalable semidefinite programming approach to variational embedding for quantum many-body problems

In quantum embedding theories, a quantum many-body system is divided into localized clusters of sites which are treated with an accurate ‘high-level’ theory and glued together self-consistently by a less accurate ‘low-level’ theory at the global scale. The recently introduced variational embedding approach for quantum many-body problems combines the insights of semidefinite relaxation and quantum embedding theory to provide a lower bound on the ground-state energy that improves as the cluster size is increased. The variational embedding method is formulated as a semidefinite program (SDP), which can suffer from poor computational scaling when treated with black-box solvers. Here, we exploit the interpretation of this SDP as an embedding method to develop an algorithm which alternates parallelizable local updates of the high-level quantities with updates that enforce the low-level global constraints. Moreover, we show how translation invariance in lattice systems can be exploited to reduce the complexity of projecting a key matrix to the positive semidefinite cone.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS2012

Mars Science Laboratory Rover System Thermal Test

On November 26, 2011, NASA launched a large (900 kg) rover as part of the Mars Science Laboratory (MSL) mission to Mars. The MSL rover is scheduled to land on Mars on August 5, 2012. Prior to launch, the Rover was successfully operated in simulated mission extreme environments during a 16-day long Rover System Thermal Test (STT). This paper describes the MSL Rover STT, test planning, test execution, test results, thermal model correlation and flight predictions. The rover was tested in the JPL 25-Foot Diameter Space Simulator Facility at the Jet Propulsion Laboratory (JPL). The Rover operated in simulated Cruise (vacuum) and Mars Surface environments (8 Torr nitrogen gas) with mission extreme hot and cold boundary conditions. A Xenon lamp solar simulator was used to impose simulated solar loads on the rover during a bounding hot case and during a simulated Mars diurnal test case. All thermal hardware was exercised and performed nominally. The Rover Heat Rejection System, a liquid-phase fluid loop used to transport heat in and out of the electronics boxes inside the rover chassis, performed better than predicted. Steady state and transient data were collected to allow correlation of analytical thermal models. These thermal models were subsequently used to predict rover thermal performance for the MSL Gale Crater landing site. Models predict that critical hardware temperatures will be maintained within allowable flight limits over the entire 669 Sol surface mission.

Novak, Keith S.↗

NASA NTRS2012

Mars Science Laboratory Rover System Thermal Test

Novak, Keith S.↗

DOE OSTI2024

Complex scaling in finite volume

Quantum resonances, i.e., metastable states with a finite lifetime, play an important role in nuclear physics and other domains. Describing this phenomenon theoretically is generally a challenging task. In this work, we combine two established techniques to address this challenge. Complex scaling makes it possible to calculate resonances with bound-state-like methods. Finite-volume simulations exploit the fact that the infinite-volume properties of quantum systems are encoded in how discrete energy levels change as one varies the size of the volume. Herein we apply complex scaling to systems in finite periodic boxes and derive the volume dependence of states in this scenario, demonstrating with explicit examples how one can use these relations to infer infinite-volume resonance energies and lifetimes.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Enhancing Gaussian Process Surrogates for Optimization and Posterior Approximation via Random Exploration

This paper proposes novel noise-free Bayesian optimization strategies that rely on a random exploration step to enhance the accuracy of Gaussian process surrogate models. The new algorithms retain the ease of implementation of the classical GP-UCB algorithm, but the additional random exploration step accelerates their convergence, nearly achieving the optimal convergence rate. Furthermore, to facilitate Bayesian inference with intractable likelihoods, we propose to utilize optimization iterates for maximum a posteriori estimation to build a Gaussian process surrogate model for the unnormalized log-posterior density. We provide bounds for the Hellinger distance between the true and the approximate posterior distributions in terms of the number of design points. We demonstrate the effectiveness of our Bayesian optimization algorithms in nonconvex benchmark objective functions, in a machine learning hyperparameter tuning problem, and in a black-box engineering design problem. The effectiveness of our posterior approximation approach is demonstrated in two Bayesian inference problems for parameters of dynamical systems.

Bayesian inference↗

DOE OSTI2021

A rigorous physics-based enhanced parameter estimation (EPE) methodology for calibration of building energy simulations

Buildings rarely perform as designed/simulated and there are numerous tangible benefits if this gap is reconciled. A new scientifically rigorous yet pragmatic methodology for calibrating building energy simulations - called Enhanced Parameter Estimation (EPE) - is proposed that allows physically relevant parameter estimation rather than a blind force-fit to energy use data. Starting with a rapidly created simulation model, calibration is performed in two stages: (a) building shell calibration with the HVAC system replaced by an ideal system that meets the loads (b) HVAC system calibration with the building shell and all internal loads replaced by a box with only process loads. In the first stage, EPE identifies a small number of high-level heat flows in the energy balance, calculates them with specifically tailored individual driving functions, introduces physically significant parameters to best accomplish energy balance, and, estimates the parameters and their uncertainty bounds. Calibration is thus done with corrective heat flows without any arbitrary tuning of input parameters. Calibration accuracy is enhanced by machine learning of the residual errors. The EPE methodology is demonstrated by means of: a synthetic building and an actual 75,000 sq. ft. building in Pennsylvania. Future work needed for widespread application is discussed.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1973

Non-classical adhesive-bonded joints in practical aerospace construction

Solutions are derived for adhesive-bonded joints of non-classical geometries. Particular attention is given to bonded doublers and to selective reinforcement by unidirectional composites. Non-dimensionalized charts are presented for the efficiency limit imposed on the skin as the result of the eccentricity in the load path through the doubler. It is desirable to employ a relativly large doubler to minimize the effective eccentricity in the load path. The transfer stresses associated with selective reinforcement of metal structures by advanced composites are analyzed. Reinforcement of bolt holes in composites by bonded metal doublers is covered quantitatively. Also included is the adhesive joint analysis for shear flow in a multi-cell torque box, in which the bond on one angle becomes more critical sooner than those on the others, thereby restricting the strength to less than the total of each maximum strength when acting alone. Adhesive plasticity and adherend stiffness and thermal imbalances are included. A simple analysis/design technique of solution in terms of upper and lower bounds on an all-plastic adhesive analysis is introduced.

Hart-Smith, L. J.↗