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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
NASA NTRS1987

Variable structure control of globally feedback-decoupled deformable vehicle maneuvers

The use of Cayley-Rodrigues attitude parameters as kinematic variables is shown to yield a globally linearized and decoupled model of the equations of motion of a deformable body, where the structural deformation state appears only in the coefficients of the inverse transformation. It is shown how commanded multiaxial attitude maneuvers can be encoded as switching surfaces for a variable-structure control implementation of the corresponding computed slew torques, automatically modulated in respnse only to detected angular rate error signs, for accurate tracking in the presence of separately damped or even uncontrolled (but stable) structural deformations.

Dwyer, T. A. W., III↗
DOE OSTI2016

Quantifying the impact of material-model error on macroscale quantities-of-interest using multiscale a posteriori error-estimation techniques

An a posteriori error-estimation framework is introduced to quantify and reduce modeling errors resulting from approximating complex mesoscale material behavior with a simpler macroscale model. Such errors may be prevalent when modeling welds and additively manufactured structures, where spatial variations and material textures may be present in the microstructure. We consider a case where a <100> fiber texture develops in the longitudinal scanning direction of a weld. Transversely isotropic elastic properties are obtained through homogenization of a microstructural model with this texture and are considered the reference weld properties within the error-estimation framework. Conversely, isotropic elastic properties are considered approximate weld properties since they contain no representation of texture. Errors introduced by using isotropic material properties to represent a weld are assessed through a quantified error bound in the elastic regime. Lastly, an adaptive error reduction scheme is used to determine the optimal spatial variation of the isotropic weld properties to reduce the error bound.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Embarras de richesses – It is not good to be too anomalous: Accurate structure of selenourea, a chiral crystal of planar molecules

Selenourea, SeC(NH 2 ) 2 , recently found an application as a derivatization reagent providing a significant anomalous diffraction signal used for phasing macromolecular crystal structures. The crystal structure of selenourea itself was solved about 50 years ago, from data recorded on films and evaluated by eye and refined to R = 0.15 with errors of bond lengths and angles about 0.1 Å and 6°. In the current work this structure is re-evaluated on the basis of synchrotron data and refined to R1 = 0.021 with bond and angle errors about 0.007 Å and 0.5°. The nine planar molecules of selenourea pack either in the P3 1 or in the P3 2 unit cell. All unique molecules are connected by a complex network of Se•••H-N hydrogen bonds and Se•••Se contacts. The packing of selenourea molecules is highly pseudosymmetric, approximating either of the P3 1(2) 12, R3, and R32 space groups. Because the overwhelming majority of diffracted X-ray intensity originates form the anomalously scattering selenium atoms, the measurable anomalous Bijvoet differences are diminished and it was not possible to solve this crystal structure based on the anomalous signal alone.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Novel Fault Location Method for Power Systems Based on Attention Mechanism and Double Structure GRU Neural Network

Fault location is one of the most essential techniques to maintain the stable operation of power systems. A fast and accurate fault location allows operators to restore power grids faster and avoid economic losses. Conventional methods rely on expert knowledge to extract the necessary features (e.g. DWT, DFT). For large systems, more coupling effects of transmission lines require more complex feature engineering, and incomplete features can easily introduce large errors. To overcome this, a deep learning approach without manual feature extraction is introduced to the fault location model under big data application. Towards this end, in the proposed method, the attention mechanism, the Bi-GRU and a dual structure network are applied to analyze the current data from different perspectives. Complete information for the fault features is extracted for the fault location. Based on a time series model and benefit from the ability to internally acquire the information architecture of faulty line, the established model is adaptive to the power grids with very complex topologies. Simulation results indicate that the proposed double-structure model reduces the maximum error and is less affected by noise. In comparison with different structures and different models, the proposed method shows better performance in IEEE 39-bus system.

42 ENGINEERING↗
DOE OSTI2025

Coefficient-to-Basis Network: a fine-tunable operator learning framework for inverse problems with adaptive discretizations and theoretical guarantees

We propose a Coefficient-to-Basis Network (C2BNet), a novel framework for solving inverse problems within the operator learning paradigm. C2BNet efficiently adapts to different discretizations through fine-tuning, using a pre-trained model to significantly reduce computational cost while maintaining high accuracy. Unlike traditional approaches that require retraining from scratch for new discretizations, our method enables seamless adaptation without sacrificing predictive performance. Furthermore, we establish theoretical approximation and generalization error bounds for C2BNet by exploiting low-dimensional structures in the underlying datasets. Our analysis demonstrates that C2BNet adapts to low-dimensional structures without relying on explicit encoding mechanisms, highlighting its robustness and efficiency. To validate our theoretical findings, we conducted extensive numerical experiments that showcase the superior performance of C2BNet on several inverse problems. The results confirm that C2BNet effectively balances computational efficiency and accuracy, making it a promising tool to solve inverse problems in scientific computing and engineering applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Structure of the Ndc80 complex and its interactions at the yeast kinetochore–microtubule interface

The conserved Ndc80 kinetochore complex, Ndc80c, is the principal link between mitotic spindle microtubules and centromere-associated proteins. We used AlphaFold 2 (AF2) to obtain predictions of the Ndc80 ‘loop’ structure and of the Ndc80 : Nuf2 globular head domains that interact with the Dam1 subunit of the heterodecameric DASH/Dam1 complex (Dam1c). The predictions guided design of crystallizable constructs, with structures close to the predicted ones. The Ndc80 ‘loop’ is a stiff, α-helical ‘switchback’ structure; AF2 predictions and positions of preferential cleavage sites indicate that flexibility within the long Ndc80c rod occurs instead at a hinge closer to the globular head. Conserved stretches of the Dam1 C terminus bind Ndc80c such that phosphorylation of Dam1 serine residues 257, 265 and 292 by the mitotic kinase Ipl1/Aurora B can release this contact during error correction of mis-attached kinetochores. We integrate the structural results presented here into our current molecular model of the kinetochore–microtubule interface. The model illustrates how multiple interactions between Ndc80c, DASH/Dam1c and the microtubule lattice stabilize kinetochore attachments.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2016

TU-AB-202-02: Deformable Image Registration Accuracy Between External Beam Radiotherapy and HDR Brachytherapy CT Images for Cervical Cancer Using a 3D-Printed Deformable Pelvis Phantom

Purpose: Accurate deformable image registration (DIR) between external beam radiotherapy (EBRT) and HDR brachytherapy (BT) CT images in cervical cancer is challenging. DSC has been evaluated only on the basis of the consistency of the structure, and its use does not guarantee an anatomically reasonable deformation. We evaluate the DIR accuracy for cervical cancer with DSC and anatomical landmarks using a 3D-printed pelvis phantom. Methods: A 3D-printed, deformable female pelvis phantom was created on the basis of the patient’s CT image. Urethane and silicon were used as materials for creating the uterus and bladder, respectively, in the phantom. We performed DIR in two cases: case-A with a full bladder (170 ml) in both the EBRT and BT images and case-B with a full bladder in the BT image and a half bladder (100 ml) in the EBRT image. DIR was evaluated using DSCs and 70 uterus and bladder landmarks. A Hybrid intensity and structure DIR algorithm with two settings (RayStation) was used. Results: In the case-A, DSCs of the intensity-based DIR were 0.93 and 0.85 for the bladder and uterus, respectively, whereas those of hybrid-DIR were 0.98 and 0.96, respectively. The mean landmark error values of intensity-based DIR were 0.73±0.29 and 1.70±0.19 cm for the bladder and uterus, respectively, whereas those of Hybrid-DIR were 0.43±0.33 and 1.23±0.25 cm, respectively. In both cases, the Hybrid-DIR accuracy was better than the intensity-based DIR accuracy for both evaluation methods. However, for several bladder landmarks, the Hybrid-DIR landmark errors were larger than the corresponding intensity-based DIR errors (e.g., 2.26 vs 1.25 cm). Conclusion: Our results demonstrate that Hybrid-DIR can perform with a better accuracy than the intensity-based DIR for both DSC and landmark errors; however, Hybrid-DIR shows a larger landmark error for some landmarks because the technique focuses on both the structure and intensity.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1999

Space Station GPS Multipath Analysis and Validation

To investigate the multipath effects on the International Space Station (ISS) Global Positioning System (GPS) measurement accuracy, experimental and computational investigations were performed to estimate the carrier phase errors due to multipath. A new modeling approach is used to reduce the required computing time by separating the dynamic structure elements from the static structure elements in the multipath computations. This study confirmed that the multipath is a major error source to the ISS GPS performance and can possibly degrade the attitude determination solution. It is demonstrated that the GPS antenna carrier phase errors due to multipath can be analyzed using the electromagnetic modeling technique such as the Uniform Geometrical Theory of Diffraction (UTD).

Hwu, Shian U.↗
NASA NTRS2014

Human Reliability and the Cost of Doing Business

Human error cannot be defined unambiguously in advance of it happening, it often becomes an error after the fact. The same action can result in a tragic accident for one situation or a heroic action given a more favorable outcome. People often forget that we employ humans in business and industry for the flexibility and capability to change when needed. In complex systems, operations are driven by their specifications of the system and the system structure. People provide the flexibility to make it work. Human error has been reported as being responsible for 60%‐80% of failures, accidents and incidents in high‐risk industries. We don't have to accept that all human errors are inevitable. Through the use of some basic techniques, many potential human error events can be addressed. There are actions that can be taken to reduce the risk of human error.

DeMott, D. L.↗
DOE OSTI2018

Characterization of the Impact of Soft Errors on Iterative Methods

Soft errors caused by transient bit flips have the potential to significantly impact an application’s behavior. This has motivated the design of an array of techniques to detect, isolate, and correct soft errors using microarchitectural, architectural, compilation-based, or application-level techniques to minimize their impact on the executing application. The first step towards the design of good error detection/correction techniques involves an understanding of an application’s vulnerability to soft errors. In this paper, we present the first comprehensive characterization of the impact of soft errors on the convergence characteristics of six iterative methods using application-level fault injection. In particular, we consider the use of iterative methods to incrementally solve a linear systems of equations, which constitutes the core kernel in many scientific applications. We analyze the impact of soft errors in terms of the type of error (single- vs multi-bit), the distribution and location of bits affected, the data structure and the statement impacted, and variation with time. In addition to understanding the vulnerability of iterative solvers to soft errors, this characterization can aid the design of fault injection campaigns that ensure systematic coverage.

fault injection, iterative methods, Silent data co↗
DOE OSTI2019

Quantum-classical hybrid algorithm using an error-mitigating N -representability condition to compute the Mott metal-insulator transition

Quantum algorithms for molecular electronic structure have been developed with lower computational scaling than their classical counterparts, but emerging quantum hardware is far from being capable of the coherence, connectivity, and gate errors required for their experimental realization. Here we propose a class of quantumclassical hybrid algorithms that computes the energy from a two-electron reduced density matrix (2-RDM). The 2-RDM is constrained by $N$-representability conditions, constraints for representing an $N$-electron wave function, which mitigate noise from the quantum circuit. We compute the strongly correlated dissociation of doublet H 3 into three hydrogen atoms. The hybrid quantum-classical computer matches the energies from full configuration interaction to 0.1 kcal/mol, one-tenth of “chemical accuracy,” even in the strongly correlated limit of dissociation. Furthermore, the spatial locality of the computed one-electron RDM reveals that the quantum computer accurately predicts the Mott metal-insulator transition.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

(abstract) Overview of NASA's Adaptive Structures Program

NASA's research program in Adaptive Structures was initiated seven years ago to provide the technology required for large (20-50 meters in dimension) precision (submicron) structures for observations from space. The current approach of designing thermally stable passive structures cannot meet the requirements and moreover the systems cannot be validated by ground tests. Adaptive Structures provides the capability to adjust the quasistatic dimensions of the structures, preload joints, add active damping, and provide the actuation forces necessary to attenuate the undesired dynamic motions. The technology is applicable to space platforms with various pointing instruments as well as for microspacecraft. This technology has been incorporated as part of a small Active Fold Mirror on the Wide Field Planetary Camera to be flown within the year to correct the optical errors in the Hubble Telescope. Highlights of NASA's Adaptive Structures research and applications will be presented along with future technology and research requirements for both small inexpensive spacecraft and large precision systems.

adaptive↗
NASA NTRS2004

Evaluation and Application of Satellite-Based Latent Heating Profile Estimation Methods

In recent years, methods for estimating atmospheric latent heating vertical structure from both passive and active microwave remote sensing have matured to the point where quantitative evaluation of these methods is the next logical step. Two approaches for heating algorithm evaluation are proposed: First, application of heating algorithms to synthetic data, based upon cloud-resolving model simulations, can be used to test the internal consistency of heating estimates in the absence of systematic errors in physical assumptions. Second, comparisons of satellite-retrieved vertical heating structures to independent ground-based estimates, such as rawinsonde-derived analyses of heating, provide an additional test. The two approaches are complementary, since systematic errors in heating indicated by the second approach may be confirmed by the first. A passive microwave and combined passive/active microwave heating retrieval algorithm are evaluated using the described approaches. In general, the passive microwave algorithm heating profile estimates are subject to biases due to the limited vertical heating structure information contained in the passive microwave observations. These biases may be partly overcome by including more environment-specific a priori information into the algorithm s database of candidate solution profiles. The combined passive/active microwave algorithm utilizes the much higher-resolution vertical structure information provided by spaceborne radar data to produce less biased estimates; however, the global spatio-temporal sampling by spaceborne radar is limited. In the present study, the passive/active microwave algorithm is used to construct a more physically-consistent and environment-specific set of candidate solution profiles for the passive microwave algorithm and to help evaluate errors in the passive algorithm s heating estimates. Although satellite estimates of latent heating are based upon instantaneous, footprint- scale data, suppression of random errors requires averaging to at least half-degree resolution. Analysis of mesoscale and larger space-time scale phenomena based upon passive and passive/active microwave heating estimates from TRMM, SSMI, and AMSR data will be presented at the conference.

Olson, William S.↗
DOE OSTI2017

An Immersed Boundary method with divergence-free velocity interpolation and force spreading

The Immersed Boundary (IB) method is a mathematical framework for constructing robust numerical methods to study fluid–structure interaction in problems involving an elastic structure immersed in a viscous fluid. The IB formulation uses an Eulerian representation of the fluid and a Lagrangian representation of the structure. The Lagrangian and Eulerian frames are coupled by integral transforms with delta function kernels. The discretized IB equations use approximations to these transforms with regularized delta function kernels to interpolate the fluid velocity to the structure, and to spread structural forces to the fluid. It is well-known that the conventional IB method can suffer from poor volume conservation since the interpolated Lagrangian velocity field is not generally divergence-free, and so this can cause spurious volume changes. In practice, the lack of volume conservation is especially pronounced for cases where there are large pressure differences across thin structural boundaries. The aim of this paper is to greatly reduce the volume error of the IB method by introducing velocity-interpolation and force-spreading schemes with the properties that the interpolated velocity field in which the structure moves is at least $\mathscr{C}$ 1 and satisfies a continuous divergence-free condition, and that the force-spreading operator is the adjoint of the velocity-interpolation operator. We confirm through numerical experiments in two and three spatial dimensions that this new IB method is able to achieve substantial improvement in volume conservation compared to other existing IB methods, at the expense of a modest increase in the computational cost. Further, the new method provides smoother Lagrangian forces (tractions) than traditional IB methods. Finally, the method presented here is restricted to periodic computational domains. Its generalization to non-periodic domains is important future work.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1999

Multi-Dimensional Quantum Tunneling and Transport Using the Density-Gradient Model

We show that quantum effects are likely to significantly degrade the performance of MOSFETs (metal oxide semiconductor field effect transistor) as these devices are scaled below 100 nm channel length and 2 nm oxide thickness over the next decade. A general and computationally efficient electronic device model including quantum effects would allow us to monitor and mitigate these effects. Full quantum models are too expensive in multi-dimensions. Using a general but efficient PDE solver called PROPHET, we implemented the density-gradient (DG) quantum correction to the industry-dominant classical drift-diffusion (DD) model. The DG model efficiently includes quantum carrier profile smoothing and tunneling in multi-dimensions and for any electronic device structure. We show that the DG model reduces DD model error from as much as 50% down to a few percent in comparison to thin oxide MOS capacitance measurements. We also show the first DG simulations of gate oxide tunneling and transverse current flow in ultra-scaled MOSFETs. The advantages of rapid model implementation using the PDE solver approach will be demonstrated, as well as the applicability of the DG model to any electronic device structure.

Biegel, Bryan A.↗
DOE OSTI2018

Structural Analysis of Sr{sub 3}NbFe{sub 3}Si{sub 2}O{sub 14} Single Crystal from the Langasite Family and Finding of Negative Thermal Expansion in the Range of 83–110 K

Iron-containing Sr{sub 3}NbFe{sub 3}Si{sub 2}O{sub 14} single crystals from the langasite family, which are interesting for researchers due to their magnetic ordering at T{sub N} = 26 K, have been grown by the floating zone melting method. Accurate X-ray diffraction analysis is performed at 293 and 90.5 K using the data collected on a CCD diffractometer. To compensate for systematic errors, two data sets are collected at each temperature. The structure is refined based on averaged data set: sp. gr. P321, Z = 1, sin θ/λ ≤ 1.35 Å{sup –1}; a = 8.2609(4) Å, c = 5.1313(3) Å at 293 K and a = 8.2344(6) Å, c = 5.1243(6) Å at 90.5 K; the agreement factors are R/wR = 1.18/1.03% and Δρ{sub min}/Δρ{sub max} =–0.57/0.25 e/Å3 for 3583 independent reflections at 293 K and R/wR = 1.18/1.13% and Δρ{sub min}/Δρ{sub max} =–0.54/0.23 e/Å3 for 3638 reflections at 90.5 K. Negative thermal expansion in the direction of the cell c axis is revealed in the range of 83–110 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The use of noncrystallographic symmetry averaging to solve structures from data affected by perfect hemihedral twinning

Molecular replacement and noncrystallographic symmetry averaging were used to detwin a data set affected by perfect hemihedral twinning. The noncrystallographic symmetry averaging of the electron-density map corrected errors in the detwinning introduced by the differences between the molecular-replacement model and the crystallized structure. Hemihedral twinning is a crystal-growth anomaly in which a specimen is composed of two crystal domains that coincide with each other in three dimensions. However, the orientations of the crystal lattices in the two domains differ in a specific way. In diffraction data collected from hemihedrally twinned crystals, each observed intensity contains contributions from both of the domains. With perfect hemihedral twinning, the two domains have the same volumes and the observed intensities do not contain sufficient information to detwin the data. Here, the use of molecular replacement and of noncrystallographic symmetry (NCS) averaging to detwin a 2.1 Å resolution data set for Aichi virus 1 affected by perfect hemihedral twinning is described. The NCS averaging enabled the correction of errors in the detwinning introduced by the differences between the molecular-replacement model and the crystallized structure. The procedure permitted the structure to be determined from a molecular-replacement model that had 16% sequence identity and a 1.6 Å r.m.s.d. for C{sup α} atoms in comparison to the crystallized structure. The same approach could be used to solve other data sets affected by perfect hemihedral twinning from crystals with NCS.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1986

Active Control Evaluation for Spacecraft (ACES)

The Air Force goal is to develop vibration control techniques for large flexible spacecraft by addressing sensor, actuator, and control hardware and dynamic testing. The Active Control Evaluation for Spacecraft (ACES) program will address the Air Force goal by looking at two leading control techniques and implementing them on a structural model of a flexible spacecraft under laboratory testing. The first phase in the ACES program is to review and to assess the High Authority Control/Low Authority Control (HAC/LAC) and Filter accomodated Model Error Sensitivity Suppression (FAMESS) control techniques for testing on the modified VCOSS structure. Appropriate sensors and actuators will be available for use with both techniques; locations will be the same for both techniques. The control actuators will be positioned at the midpoint and free end of the structure. The laser source for the optical sensor is mounted on the feed mast. The beam will be reflected from a mirror on the offset antenna onto the detectors mounted above the shaker table bay. The next phase is to develop an analysis simulation with the control algorithms implemented for dynamics verification. The third phase is to convert the control laws into high level computer language and test them in the NASA-MSFC facility. The final phase is to compile all analytical and test results for performance comparisons.

Pearson, J.↗