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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 1,189 records · Page 66
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

New value of old knowledge: sulphur-based GaAs surface passivation and potential GaAs application in molecular electronics and spintronics

GaAs is well known for its extremely high electron mobility and direct band gap. Owing to the technological advances in silicon-based technology, GaAs has been limited to niche areas. This paper discusses the application of GaAs in molecular electronics and spintronics as a potential field for considering this amazing but challenging material. GaAs is challenging because its surface is characterized by a high density of surface states, which precludes the utilization of this semiconducting material in mainstream devices. Sulfur(S)-based passivation has been found to be significantly useful for reducing the effect of dangling bonds and was researched thoroughly. GaAs applications in molecular spintronics and electronics can benefit significantly from prior knowledge of GaAs and S interactions because S is a popular functional group for bonding molecular device elements with different semiconductors and metals. In this article, the problem associated with the GaAs surface is discussed in a tutorial form. A wide variety of surface passivation methods has been briefly introduced. We attempted to highlight the significant differences in the S-GaAs interactions for different S passivation methods. We also elaborate on the mechanisms and atomic-scale understanding of the variation in surface chemistry and reconstruction due to various S passivation methods. It is envisioned that GaAs and thiol-terminated molecule-based novel devices can exhibit innovative device characteristics and bring the added advantage of S-based passivation.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Co-orchestration of multiple instruments to uncover structure–property relationships in combinatorial libraries

The rapid growth of automated and autonomous instrumentation brings forth opportunities for the co-orchestration of multimodal tools that are equipped with multiple sequential detection methods or several characterization techniques to explore identical samples. This is exemplified by combinatorial libraries that can be explored in multiple locations via multiple tools simultaneously or downstream characterization in automated synthesis systems. In co-orchestration approaches, information gained in one modality should accelerate the discovery of other modalities. Correspondingly, an orchestrating agent should select the measurement modality based on the anticipated knowledge gain and measurement cost. Herein, we propose and implement a co-orchestration approach for conducting measurements with complex observables, such as spectra or images. The method relies on combining dimensionality reduction by variational autoencoders with representation learning for control over the latent space structure and integration into an iterative workflow via multi-task Gaussian Processes (GPs). This approach further allows for the native incorporation of the system's physics via a probabilistic model as a mean function of the GPs. We illustrate this method for different modes of piezoresponse force microscopy and micro-Raman spectroscopy on a combinatorial Sm-BiFeO3 library. However, the proposed framework is general and can be extended to multiple measurement modalities and arbitrary dimensionality of the measured signals.

47 OTHER INSTRUMENTATION↗
NASA NTRS1972

Magnetospheric electric fields deduced from drifting whistler paths.

Results of a study in which the amplitude of the E-W component E sub w of the convection electric field in the nightside magnetosphere has been inferred from the observed cross-L motions of whistler ducts within the plasmasphere, and several ducts distributed over 1 to 2 earth radii in L space and over plus or minus deg 15 around the longitude of the Eights, Antarctica, whistler station have been tracked simultaneously. The method appears capable of resolving fluctuations in E sub w with period T equal to approximately 15 min and rms amplitude as low as 0.05 mV/m. For variations with T greater than 1 hour the method has a sensitivity of the order of 0.01 mV/m. Three case studies are presented, two of which illustrate convection activity associated with relatively isolated substorms. In these two cases E sub w reversed from westward to eastward for a period following the decay of substorm bay activity. In the third case the substorm bay activity was prolonged, and E sub w remained westward and at enhanced levels until local dawn. Evidence was found that, at least in a limited longitudinal sector, perturbing substorm E sub w fields can penetrate deep within the plasmasphere. In two of the case studies comparisons of E sub w and the interplanetary magnetic-field theta component show evidence of a possible relation based on brief (less than or equal to 1 hour) southward excursions but not on long preceding southward events.

Carpenter, D. L.↗
NASA NTRSDate not supplied

Transition Measurements on the SWiFT Model in the National Transonic Facility

Boundary layer transition locations on the Swept Wing Flow Test (SWiFT) Hybrid Wing Body model were measured in the National Transonic Facility (NTF) at the NASA Langley Research Center using several different methods. These methods include sublimating chemical flow visualization for a limited number of low Reynolds number conditions, as well as mean static pressure and dynamic pressure measurements. Results are presented for a range of conditions in the NTF, demonstrating Mach and Reynolds number effects. The transition front locations obtained from the different techniques agree well. A variation of the static pressure transition detection method is described in which continuous angle of attack polars are performed. This approach enables detection of the transition front at more challenging (high Reynolds number) conditions than is possible with sparser data from pitch-pause angle-of-attack polars. The trip dot effectiveness is also verified using all of the available diagnostics. Additionally, low Reynolds number results are compared with those acquired on the same model at the Aircraft Research Association (ARA) facility, and these results show good agreement overall, suggesting similar freestream flow quality conditions of the two facilities.

National Transonic Facility↗
NASA NTRSDate not supplied

Transition Measurements on the SWiFT Model in the National Transonic Facility

Boundary layer transition locations on the Swept Wing Flow Test (SWiFT) Hybrid Wing Body model were measured in the National Transonic Facility (NTF) at the NASA Langley Research Center using several different methods. These methods include sublimating chemical flow visualization for a limited number of low Reynolds number conditions, as well as mean static pressure and dynamic pressure measurements. Results are presented for a range of conditions in the NTF, demonstrating Mach and Reynolds number effects. The transition front locations obtained from the different techniques agree well. A variation of the static pressure transition detection method is described in which continuous angle of attack polars are performed. This approach enables detection of the transition front at more challenging (high Reynolds number) conditions than is possible with sparser data from pitch-pause angle-of-attack polars. The trip dot effectiveness is also verified using all of the available diagnostics. Additionally, low Reynolds number results are compared with those acquired on the same model at the Aircraft Research Association (ARA) facility, and these results show good agreement overall, suggesting similar freestream flow quality conditions of the two facilities.

National Transonic Facility↗
DOE OSTI2021

Timing characterization of fast hCMOS sensors

We describe a method of analyzing gate profile data for ultrafast x-ray imagers that allows pixel-by-pixel determination of temporal sensitivity in the presence of substantial background oscillations. With this method, systematic timing errors in gate width and gate arrival time of up to 1 ns (in a 2 ns wide gate) can be removed. In-sensor variations in gate arrival and gate width are observed, with variations in each up to 0.5 ns. This method can be used to estimate the coarse timing of the sensor, even if errors up to several ns are present.

Benedetti, L. R. (ORCID:0000000160502983)↗
NASA NTRS1982

Evaluation of an improved finite-element thermal stress calculation technique

A procedure for generating accurate thermal stresses with coarse finite element grids (Ojalvo's method) is described. The procedure is based on the observation that for linear thermoelastic problems, the thermal stresses may be envisioned as being composed of two contributions; the first due to the strains in the structure which depend on the integral of the temperature distribution over the finite element and the second due to the local variation of the temperature in the element. The first contribution can be accurately predicted with a coarse finite-element mesh. The resulting strain distribution can then be combined via the constitutive relations with detailed temperatures from a separate thermal analysis. The result is accurate thermal stresses from coarse finite element structural models even where the temperature distributions have sharp variations. The range of applicability of the method for various classes of thermostructural problems such as in-plane or bending type problems and the effect of the nature of the temperature distribution and edge constraints are addressed. Ojalvo's method is used in conjunction with the SPAR finite element program. Results are obtained for rods, membranes, a box beam and a stiffened panel.

Camarda, C. J.↗
NASA NTRS1991

Learning process mapping heuristics under stochastic sampling overheads

A statistical method was developed previously for improving process mapping heuristics. The method systematically explores the space of possible heuristics under a specified time constraint. Its goal is to get the best possible heuristics while trading between the solution quality of the process mapping heuristics and their execution time. The statistical selection method is extended to take into consideration the variations in the amount of time used to evaluate heuristics on a problem instance. The improvement in performance is presented using the more realistic assumption along with some methods that alleviate the additional complexity.

Ieumwananonthachai, Arthur↗
NASA NTRS1990

Clutter filter design considerations for Airborne Doppler radar detection of windshear

The problem of clutter rejection when processing down-looking Doppler radar returns from a low altitude airborne platform is a paramount problem. With radar as a remote sensor for detecting and predicting windshear in the vicinity of an urban airport, dynamic range requirements can exceed 50 dB because of high clutter to signal ratios. This presentation describes signal processing considerations in the presence of distributed and/or discrete clutter interference. Previous analyses have considered conventional range cell processing of radar returns from a rigidly mounted radar platform using either the Fourier or the pulse-pair method to estimate average windspeed and windspeed variation within a cell. Clutter rejection has been based largely upon analyzing a particular environment in the vicinity of the radar and employing a variety of techniques to reduce interference effects including notch filtering, Fourier domain line editing, and use of clutter maps. For the airborne environment the clutter characteristics may be somewhat different. Conventional clutter rejection methods may have to be changed and new methods will probably be required to provide useful signal to noise ratios. Various considerations are described. A major thrust has been to evaluate the effect of clutter rejection filtering upon the ability to derive useful information from the post-filter radar data. This analysis software is briefly described. Finally, some ideas for future analysis are considered including the use of adaptive filtering for clutter rejection and the estimation of windspeed spatial gradient directly from radar returns as a means of reducing the effects of clutter on the determination of a windshear hazard.

Baxa, Ernest G., Jr.↗
NASA NTRS1972

Investigation of mounting discrete chip components for hybrid microelectronic applications.

In the assembly of hybrid microcircuits, passive and active discrete chip components are attached by epoxy cements and by solders. This study was initiated to determine the integrity of such attachments. Alumina substrates were subjected to a group of thermal and mechanical test environments defined by test methods in MIL-STD-883. Lot samples of substrates with assembly variations were subjected to separately applied testing and to serial testing. These test methods were applied sequentially to the same lot of substrates. Epoxy cements were generally satisfactory with respect to separate tests, although sequential tests severely degraded epoxy bond strengths of all types. Bond strengths to unglazed substrates were slightly superior to those of the same components on glazed types. Solder joints were vulnerable to catastrophic failure in several environments, especially temperature cycling and thermal shock. Vibration and impact shock also produced solder joint failures.

Caruso, S. V.↗
NASA NTRS1993

Development of computational methods for heavy lift launch vehicles

The research effort has been focused on the development of an advanced flow solver for complex viscous turbulent flows with shock waves. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. A new computer program named CENS3D has been developed for viscous turbulent flows with discontinuities. Details of the code are described in Appendix A and Appendix B. With the developments of the numerical algorithm and dissipation model, the simulation of three-dimensional viscous compressible flows has become more efficient and accurate. The results of the research are expected to yield a direct impact on the design process of future liquid fueled launch systems.

Yoon, Seokkwan↗
NASA NTRS1994

Development of advanced Navier-Stokes solver

The objective of research was to develop and validate new computational algorithms for solving the steady and unsteady Euler and Navier-Stokes equations. The end-products are new three-dimensional Euler and Navier-Stokes codes that are faster, more reliable, more accurate, and easier to use. The three-dimensional Euler and full/thin-layer Reynolds-averaged Navier-Stokes equations for compressible/incompressible flows are solved on structured hexahedral grids. The Baldwin-Lomax algebraic turbulence model is used for closure. The space discretization is based on a cell-centered finite-volume method augmented by a variety of numerical dissipation models with optional total variation diminishing limiters. The governing equations are integrated in time by an implicit method based on lower-upper factorization and symmetric Gauss-Seidel relaxation. The algorithm is vectorized on diagonal planes of sweep using two-dimensional indices in three dimensions. Convergence rates and the robustness of the codes are enhanced by the use of an implicit full approximation storage multigrid method.

Yoon, Seokkwan↗
DOE OSTI2024

Proximal Galerkin: A Structure-Preserving Finite Element Method for Pointwise Bound Constraints

The proximal Galerkin finite element method is a high-order, low iteration complexity, nonlinear numerical method that preserves the geometric and algebraic structure of pointwise bound constraints in infinite-dimensional function spaces. This paper introduces the proximal Galerkin method and applies it to solve free boundary problems, enforce discrete maximum principles, and develop a scalable, mesh-independent algorithm for optimal design with pointwise bound constraints. This paper also introduces the latent variable proximal point (LVPP) algorithm, from which the proximal Galerkin method derives. When analyzing the classical obstacle problem, we discover that the underlying variational inequality can be replaced by a sequence of second-order partial differential equations (PDEs) that are readily discretized and solved with, e.g., the proximal Galerkin method. Throughout this work, we arrive at several contributions that may be of independent interest. These include (1) a semilinear PDE we refer to as the entropic Poisson equation; (2) an algebraic/geometric connection between high-order positivity-preserving discretizations and certain infinite-dimensional Lie groups; and (3) a gradient-based, bound-preserving algorithm for two-field, density-based topology optimization. The complete proximal Galerkin methodology combines ideas from nonlinear programming, functional analysis, tropical algebra, and differential geometry and can potentially lead to new synergies among these areas as well as within variational and numerical analysis. Open-source implementations of our methods accompany this work to facilitate reproduction and broader adoption.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

A phase-field model for hydraulic fracture nucleation and propagation in porous media

Many geo-engineering applications, for example, enhanced geothermal systems, rely on hydraulic fracturing to enhance the permeability of natural formations and allow for sufficient fluid circulation. Over the past few decades, the phase-field method has grown in popularity as a valid approach to modeling hydraulic fracturing because of the ease of handling complex fracture propagation geometries. However, existing phase-field methods cannot appropriately capture nucleation of hydraulic fractures because their formulations are solely energy-based and do not explicitly take into account the strength of the material. Thus, in this work, we propose a novel phase-field formulation for hydraulic fracturing with the main goal of modeling fracture nucleation in porous media, for example, rocks. Built on the variational formulation of previous phase-field methods, the proposed model incorporates the material strength envelope for hydraulic fracture nucleation through two important steps: (i) an external driving force term, included in the damage evolution equation, that accounts for the material strength; (ii) a properly designed damage function that defines the fluid pressure contribution on the crack driving force. In conclusion, the comparison of numerical results for two-dimensional test cases with existing analytical solutions demonstrates that the proposed phase-field model can accurately model both nucleation and propagation of hydraulic fractures. Additionally, we present the simulation of hydraulic fracturing in a three-dimensional domain with various stress conditions to demonstrate the applicability of the method to realistic scenarios.

15 GEOTHERMAL ENERGY↗
DOE OSTI2022

Gradient-Based Novelty Detection Boosted by Self-Supervised Binary Classification

Novelty detection aims to automatically identify out-of-distribution (OOD) data, without any prior knowledge of them. It is a critical step in data monitoring, behavior analysis and other applications, helping enable continual learning in the field. Conventional methods of OOD detection perform multi-variate analysis on an ensemble of data or features, and usually resort to the supervision with OOD data to improve the accuracy. In reality, such supervision is impractical as one cannot anticipate the anomalous data. In this paper, we propose a novel, self-supervised approach that does not rely on any pre-defined OOD data: (1) The new method evaluates the Mahalanobis distance of the gradients between the in-distribution and OOD data. (2) It is assisted by a self-supervised binary classifier to guide the label selection to generate the gradients, and maximize the Mahalanobis distance. In the evaluation with multiple datasets, such as CIFAR-10, CIFAR-100, SVHN and TinyImageNet, the proposed approach consistently outperforms state-of-the-art supervised and unsupervised methods in the area under the receiver operating characteristic (AUROC) and area under the precision-recall curve (AUPR) metrics. We further demonstrate that this detector is able to accurately learn one OOD class in continual learning.

Sun, Jingbo↗
DOE OSTI2024

Reweighting Monte Carlo predictions and automated fragmentation variations in Pythia 8

This work reports on a method for uncertainty estimation in simulated collider-event predictions. The method is based on a Monte Carlo-veto algorithm, and extends previous work on uncertainty estimates in parton showers by including uncertainty estimates for the Lund string-fragmentation model. This method is advantageous from the perspective of simulation costs: a single ensemble of generated events can be reinterpreted as though it was obtained using a different set of input parameters, where each event now is accompanied with a corresponding weight. This allows for a robust exploration of the uncertainties arising from the choice of input model parameters, without the need to rerun full simulation pipelines for each input parameter choice. Such explorations are important when determining the sensitivities of precision physics measurements. Accompanying code is available at https://gitlab.com/uchep/mlhad-weights-validation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
NASA NTRS1974

Useful extremum principle for the variational calculation of matrix elements

Variational principles are considered for the approximate evaluation of the diagonal matrix elements of an arbitrary known linear Hermitian operator. A method is derived that is immediately applicable to the variational determination of both the off-diagonal and diagonal matrix elements of normal and modified Green's functions.

Gerjuoy, E.↗
NASA NTRS1987

Variational approach to probabilistic finite elements

Probabilistic finite element method (PFEM), synthesizing the power of finite element methods with second-moment techniques, are formulated for various classes of problems in structural and solid mechanics. Time-invariant random materials, geometric properties, and loads are incorporated in terms of their fundamental statistics viz. second-moments. Analogous to the discretization of the displacement field in finite element methods, the random fields are also discretized. Preserving the conceptual simplicity, the response moments are calculated with minimal computations. By incorporating certain computational techniques, these methods are shown to be capable of handling large systems with many sources of uncertainties. By construction, these methods are applicable when the scale of randomness is not very large and when the probabilistic density functions have decaying tails. The accuracy and efficiency of these methods, along with their limitations, are demonstrated by various applications. Results obtained are compared with those of Monte Carlo simulation and it is shown that good accuracy can be obtained for both linear and nonlinear problems. The methods are amenable to implementation in deterministic FEM based computer codes.

Belytschko, T.↗