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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 919 records · Page 51
All sourcesNASA NTRSDOE OSTI
NASA NTRS1993

Numerical investigation of multi-element airfoils

The flow over multi-element airfoils with flat-plate lift-enhancing tabs was numerically investigated. Tabs ranging in height from 0.25 percent to 1.25 percent of the reference airfoil chord were studied near the trailing edge of the main-element. This two-dimensional numerical simulation employed an incompressible Navier-Stokes solver on a structured, embedded grid topology. New grid refinements were used to improve the accuracy of the solution near the overlapping grid boundaries. The effects of various tabs were studied at a constant Reynolds number on a two-element airfoil with a slotted flap. Both computed and measured results indicated that a tab in the main-element cove improved the maximum lift and lift-to-drag ratio relative to the baseline airfoil without a tab. Computed streamlines revealed that the additional turning caused by the tab may reduce the amount of separated flow on the flap. A three-element airfoil was also studied over a range of Reynolds numbers. For the optimized flap rigging, the computed and measured Reynolds number effects were similar. When the flap was moved from the optimum position, numerical results indicated that a tab may help to reoptimize the airfoil to within 1 percent of the optimum flap case.

Cummings, Russell M.↗
NASA NTRS2009

A Distributed Prognostic Health Management Architecture

This paper introduces a generic distributed prognostic health management (PHM) architecture with specific application to the electrical power systems domain. Current state-of-the-art PHM systems are mostly centralized in nature, where all the processing is reliant on a single processor. This can lead to loss of functionality in case of a crash of the central processor or monitor. Furthermore, with increases in the volume of sensor data as well as the complexity of algorithms, traditional centralized systems become unsuitable for successful deployment, and efficient distributed architectures are required. A distributed architecture though, is not effective unless there is an algorithmic framework to take advantage of its unique abilities. The health management paradigm envisaged here incorporates a heterogeneous set of system components monitored by a varied suite of sensors and a particle filtering (PF) framework that has the power and the flexibility to adapt to the different diagnostic and prognostic needs. Both the diagnostic and prognostic tasks are formulated as a particle filtering problem in order to explicitly represent and manage uncertainties; however, typically the complexity of the prognostic routine is higher than the computational power of one computational element ( CE). Individual CEs run diagnostic routines until the system variable being monitored crosses beyond a nominal threshold, upon which it coordinates with other networked CEs to run the prognostic routine in a distributed fashion. Implementation results from a network of distributed embedded devices monitoring a prototypical aircraft electrical power system are presented, where the CEs are Sun Microsystems Small Programmable Object Technology (SPOT) devices.

Bhaskar, Saha↗
NASA NTRS2016

Semi-Autonomous Vehicle Project

The primary objective this summer is "evaluating standards for wireless architecture for the internet of things". The Internet of Things is the network of physical objects or "things" embedded with electronics, software, sensors and network connectivity which enables these objects to collect and exchange data and make decisions based on said data. This was accomplished by creating a semi-autonomous vehicle that takes advantage of multiple sensors, cameras, and onboard computers and combined them with a mesh network which enabled communication across large distances with little to no interruption. The mesh network took advantage of what is known as DTN - Disruption Tolerant Networking which according to NASA is the new communications protocol that is "the first step towards interplanetary internet." The use of DTN comes from the fact that it will store information if an interruption in communications is detected and even forward that information via other relays within range so that the data is not lost. This translates well into the project because as the car moves further away from whatever is sending it commands (in this case a joystick), the information can still be forwarded to the car with little to no loss of information thanks to the mesh nodes around the driving area.

Stewart, Christopher↗
NASA NTRSDate not supplied

Datascope to Enable Earth Independent Medical Operations (EIMO)

BACKGROUND: NASA has amassed sixty years of knowledge and experience relevant to maintenance of crew health and performance in low earth orbit. The Apollo Program introduced the importance of ensuring progressively autonomous operational capability. Earth Independent Medical Operations (EIMO) will require a gradual shift in the balance of medical responsibility, management, and authority from terrestrial to space-based assets. Terrestrial assets will continue to be essential for pre-mission screening and planning in addition to maintenance of crew health and performance. However, new capabilities are needed to enable EIMO and the amount of data required to support these systems, and mitigate the impacts of data transmission delays and reduced bandwidth coupled with lack of cloud-like resources and on-board computing capacity that is currently unclear or operationally insufficient. OVERVIEW: The overall goal of EIMO is to develop artificial intelligence (AI)-based solutions to analyze crew health and performance data utilizing a clinical decision support system (CDSS) to provide crew medical officers (CMO) with the equivalent of real-time, on-board medical consults. The EIMO ecosystem is envisioned as a “system of systems” where embedded reference databases and real-time data streams from multiple input vectors continuously and seamlessly assess crew health and performance. EIMO will be designed to make recommendations to the CMO using multi-modal AI-based natural language processing and machine learning methods with interoperability to push/pull data within and between multiple vehicle and habitat architectures. DISCUSSION: Data flows and storage/retrieval capacity are severely constrained during space missions and the challenges will become even greater during exploration missions. Just as each past program from Mercury to the International Space Station (ISS) required rethinking the interaction between ground-based controllers and space-based crew, so too will future missions to the Moon and Mars. While the NASA High-Performance Spaceflight Computing Processor project aims to increase computational capacity by 100 times over current spaceflight computers, the projected deliverable still lags considerably behind what will be needed to enable an AI-driven CDSS. Restrictions in processing speed and data storage capacity, coupled with transmission bottlenecks and delays, necessitate definition and optimization of an integrated data architecture to enable a progressively autonomous medical capability.

Medical operations↗
DOE OSTI2025

CSGL: chemical synthesis graph learning for molecule representation

Abstract Motivation Molecule representation learning (MRL) translates molecules into a real vector space, serving as input to downstream tasks in biology, chemistry, and computer science. This article introduces a chemical synthesis graph learning (CSGL) framework, which enhances MRL by considering both the atomic structures of molecules and their roles in chemical reactions through a hierarchical graph representation. Specifically, molecules are first modeled based on their molecular graphs, which capture atomic-level structural information. They are then further refined using a chemical synthesis graph, where nodes represent reactant and product molecule sets, and edges encode chemical transformations between reactants and products (e.g. changes in molecular structures). CSGL optimizes molecular embeddings of reactant and product nodes in a fashion that ensures the embeddings conform to a chemical balance constraint. Results Experimental results show that our method CSGL achieves strong performance on a variety of tasks, including product prediction, reaction classification, and molecular property prediction. Availability and implementation https://github.com/li-2023/CSGL.

Biochemistry & Molecular Biology↗
DOE OSTI2023

Data-driven prediction of α IIb β 3 integrin activation paths using manifold learning and deep generative modeling

The integrin heterodimer is a transmembrane protein critical for driving cellular process and is a therapeutic target in the treatment of multiple diseases linked to its malfunction. Activation of integrin involves conformational transitions between bent and extended states. Some of the conformations that are intermediate between bent and extended states of the heterodimer have been experimentally characterized, but the full activation pathways remain unresolved both experimentally due to their transient nature and computationally due to the challenges in simulating rare barrier crossing events in these large molecular systems. An understanding of the activation pathways can provide new fundamental understanding of the biophysical processes associated with the dynamic interconversions between bent and extended states and unveil new putative therapeutic targets. In this work, we apply nonlinear manifold learning to coarse-grained molecular dynamics simulations of bent, extended, and two intermediate states of αI I b β3 integrin to learn a low-dimensional embedding of the configurational phase space. We then train deep generative models to learn an inverse mapping between the low-dimensional embedding and high-dimensional molecular space and use these models to interpolate the molecular configurations constituting the activation pathways between the experimentally characterized states. Furthermore, this work furnishes plausible predictions of integrin activation pathways and reports a generic and transferable multi-scale technique to predict transition pathways for biomolecular systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Subtleties in the trainability of quantum machine learning models

A new paradigm for data science has emerged, with quantum data, quantum models, and quantum computational devices. This field, called quantum machine learning (QML), aims to achieve a speedup over traditional machine learning for data analysis. However, its success usually hinges on efficiently training the parameters in quantum neural networks, and the field of QML is still lacking theoretical scaling results for their trainability. Some trainability results have been proven for a closely related field called variational quantum algorithms (VQAs). While both fields involve training a parametrized quantum circuit, there are crucial differences that make the results for one setting not readily applicable to the other. In this work, we bridge the two frameworks and show that gradient scaling results for VQAs can also be applied to study the gradient scaling of QML models. Our results indicate that features deemed detrimental for VQA trainability can also lead to issues such as barren plateaus in QML. Consequently, our work has implications for several QML proposals in the literature. In addition, we provide theoretical and numerical evidence that QML models exhibit further trainability issues not present in VQAs, arising from the use of a training dataset. We refer to these as dataset-induced barren plateaus. These results are most relevant when dealing with classical data, as here the choice of embedding scheme (i.e., the map between classical data and quantum states) can greatly affect the gradient scaling.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

High-Energy X-ray Tomographic Analysis of Precursor Metal Powders (Ti-6Al-4V) Used for Additive Manufacturing

We utilized high-energy x-ray tomography to characterize Ti-6Al-4V metal powders (both as-received and recycled) used in powder-bed additive manufacturing process. The image processing workflow was developed to process and analyze large amount of data objectively by computer program. The distribution of size and shape of the metal particles as well as defect (mainly porosity) inside the particles was analyzed with the statistical representation and resolution in micrometer. The result revealed that circular-shaped porosity with various sizes could be embedded in the powder particles. These porosities could potentially be transferred to the 3D printed part and critically affect the mechanical performance of the component. The present study shows the effectiveness of characterizing metal powders using x-ray imaging techniques where sufficient number of particles can be sampled within tens of minutes with a minimum sample preparation and high accuracy. Clear structural differences in the as-received and recycled powders were delineated that helps in determining the feasibility of using the recycled powders.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Direct numerical simulations of turbulent reacting flows with shock waves and stiff chemistry using many-core/GPU acceleration

Compressible reacting flows may display sharp spatial variation related to shocks, contact discontinuities or reactive zones embedded within relatively smooth regions. The presence of such phenomena emphasizes the relevance of shock-capturing schemes such as the weighted essentially non-oscillatory (WENO) scheme as an essential ingredient of the numerical solver. However, these schemes are complex and have more computational cost than the simple high-order compact or non-compact schemes. In this paper, we present the implementation of a seventh-order, minimally-dissipative mapped WENO (WENO7M) scheme in a newly developed direct numerical simulation (DNS) code called KAUST Adaptive Reactive Flows Solver (KARFS). In order to make efficient use of the computer resources and reduce the solution time, without compromising the resolution requirement, the WENO routines are accelerated via graphics processing unit (GPU) computation. The performance characteristics and scalability of the code are studied using different grid sizes and block decomposition. Furthermore, the performance portability of KARFS is demonstrated on a variety of architectures including NVIDIA Tesla P100 GPUs and NVIDIA Kepler K20X GPUs. In addition, the capability and potential of the newly implemented WENO7M scheme in KARFS to perform DNS of compressible flows is also demonstrated with model problems involving shocks, isotropic turbulence, detonations and flame propagation into a stratified mixture with complex chemical kinetics.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Structural evolution in Au- and Pd-based metallic glass forming liquids and the case for improved molecular dynamics force fields

The results of a combined experimental and computational investigation of the structural evolution of Au 81 Si 19 , Pd 82 Si 18 , and Pd 77 Cu 6 Si 17 metallic glass forming liquids are presented. Electrostatically levitated metallic liquids are prepared, and synchrotron x-ray scattering studies are combined with embedded atom method molecular dynamics simulations to probe the distribution of relevant structural units. Metal–metalloid based metallic glass forming systems are an extremely important class of materials with varied glass forming ability and mechanical processibility. High quality experimental x-ray scattering data are in poor agreement with the data from the molecular dynamics simulations, demonstrating the need for improved interatomic potentials. The first peak in the x-ray static structure factor in Pd 77 Cu 6 Si 17 displays evidence for a Curie–Weiss type behavior but also a peak in the effective Curie temperature. In conclusion, a proposed order parameter distinguishing glass forming ability, 1/(S(T,q 1 )−1, shows a peak in the effective Curie temperature near a crossover temperature established by the behavior of the viscosity, T A .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Processing MCNP Elemental Edit Outputs

The Monte Carlo N-Particle (MCNP) transport code version 6 (also known as MCNP6) has the capability for tracking particles on unstructured mesh (UM) geometry models embedded into constructive solid geometry (CSG) cells. A UM geometry is a collection of elements representing a solid geometry. The first step of MCNP UM modeling is using other software packages to create a finite element mesh representation of a solid 3D geometry. Computer-aided design (CAD) or computer-aided manufacturing (CAM) software is typically used to create a solid geometry model, which is later imported into mesh generation software to create a UM model. The MCNP UM feature was originally designed for models generated by the Abaqus/CAE software. The MCNP code version 6.0 and later can process UM models formatted as Abaqus input files. MCNP can process a UM model consisting of several different element types including linear tetrahedral or hexahedral elements and calculate quantities of interest such as flux and energy deposition at elements. An MCNP UM simulation provides high-fidelity elemental edit (i.e., tally) outputs, which can be further used in multiphysics calculations. The MCNP UM feature was used for multiphysics simulations where quantities of interest calculated by MCNP are used as inputs for heat transfer calculations in Abaqus. MCNP6.3 can produce two types of elemental edit output (EEOUT) file formats: ASCII and HDF5. An EEOUT file type must be requested on an EMBED card while output type (flux or energy deposition) must be requested on an EMBEE card. We wrote Python3 scripts to extract energy deposition values in an ASCII or HDF5 EEOUT file and compute a heat flux profile for an Abaqus heat transfer calculation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS1993

Digital test signal generation: An accurate SNR calibration approach for the DSN

In support of the on-going automation of the Deep Space Network (DSN) a new method of generating analog test signals with accurate signal-to-noise ratio (SNR) is described. High accuracy is obtained by simultaneous generation of digital noise and signal spectra at the desired bandwidth (base-band or bandpass). The digital synthesis provides a test signal embedded in noise with the statistical properties of a stationary random process. Accuracy is dependent on test integration time and limited only by the system quantization noise (0.02 dB). The monitor and control as well as signal-processing programs reside in a personal computer (PC). Commands are transmitted to properly configure the specially designed high-speed digital hardware. The prototype can generate either two data channels modulated or not on a subcarrier, or one QPSK channel, or a residual carrier with one biphase data channel. The analog spectrum generated is on the DC to 10 MHz frequency range. These spectra may be up-converted to any desired frequency without loss on the characteristics of the SNR provided. Test results are presented.

Gutierrez-Luaces, Benito O.↗
NASA NTRS2018

Applications of Parallel-Element, Embedded Mesh-Cap Acoustic Liner Concepts

This study explores progress achieved with 2DOF, 3DOF, and MDOF acoustic liners constructed with mesh caps embedded within a honeycomb core. These liner configurations offer potential for broadband noise reduction, and are suitable for conventional aircraft implementation. Samples for each configuration are tested in the NASA normal incidence tube and grazing flow impedance tube, with and without a wire mesh facesheet. Impedances based on these measured data compare favorably with those predicted using a transmission line impedance prediction model. Predicted impedances are then used as input for an aeroacoustic propagation code to compute axial acoustic pressure distributions in the grazing flow tube. These predicted distributions compare favorably with the corresponding measured distributions at frequencies away from the frequency of peak attenuation, but suffer slight degradation for frequencies very near the peak attenuation frequency, where the predicted results are sensitive to input impedance changes. As expected, the noise reduction frequency range increases as more degrees of freedom are included. Although the specific results achieved herein may differ from those that would be achieved with other 2DOF, 3DOF, and MDOF liners, this comparison highlights some of the key features that can be exploited in the design of parallel-element, embedded mesh-cap liners.

Jones, M. G.↗
DOE OSTI2025

Multi-plane moment-of-fluid interface reconstruction in 3D

Moment-of-fluid (MOF) methods for interface reconstruction approximate the region occupied by material in each mesh element only through reference to its geometric moments. Here, we present a 3D MOF method that represents the material (POM) in each cell as the convex intersection of the cell and multiple half-spaces, each selected to minimize the least-squares error between computed moments of the approximated material and provided reference moments. This optimization problem is highly non-linear and non-convex, making the numerical result very sensitive to the initial guess. To create an effective initial guess in each cell, we construct an ellipsoid from 0th–2nd order reference moments such that its shape corresponds with that of the POM. Within this ellipsoid we inscribe a polyhedron, and initialize the minimization problem with the half-spaces defined by each of its faces. The inscribed polyhedron has minimally 4 faces, and using up to 3rd order moments permits optimization over up to 20 unknown values. We therefore define MOF methods that utilize 4, 5, or 6 half-spaces, correspondingly initialized with the faces of a single inscribed tetrahedron, triangular prism, or hexahedron. Stability of the non-linear optimization is further improved with a prepossessing step that normalizes the reference moments according to the axes of the reference ellipsoid. Using this approach, the non-linear least-squares solver reliably converges to a near-global minimum from a single initial guess. We demonstrate accuracy and robustness using single-cell and multi-cell examples over a wide spectrum of geometry. In particular, we demonstrate our ability to exactly reproduce several important and complex features defined by up to four half-spaces, such as corners, filaments, filament tips, and embedded material in the cell.

3D interface reconstruction↗
DOE OSTI2024

Enhancing quantum annealing accuracy through replication-based error mitigation *

Abstract Quantum annealers like those manufactured by D-Wave Systems are designed to find high quality solutions to optimization problems that are typically hard for classical computers. They utilize quantum effects like tunneling to evolve toward low-energy states representing solutions to optimization problems. However, their analog nature and limited control functionalities present challenges to correcting or mitigating hardware errors. As quantum computing advances towards applications, effective error suppression is an important research goal. We propose a new approach called replication based mitigation (RBM) based on parallel quantum annealing (QA). In RBM, physical qubits representing the same logical qubit are dispersed across different copies of the problem embedded in the hardware. This mitigates hardware biases, is compatible with limited qubit connectivity in current annealers, and is well-suited for currently available noisy intermediate-scale quantum annealers. Our experimental analysis shows that RBM provides solution quality on par with previous methods while being more flexible and compatible with a wider range of hardware connectivity patterns. In comparisons against standard QA without error mitigation on larger problem instances that could not be handled by previous methods, RBM consistently gets better energies and ground state probabilities across parameterized problem sets.

Djidjev, Hristo N. (ORCID:0000000192868824)↗
DOE OSTI2020

Reinforcement Learning via Gaussian Processes with Neural Network Dual Kernels

While deep neural networks (DNNs) and Gaussian Processes (GPs) are both popularly utilized to solve problems in reinforcement learning, both approaches feature undesirable drawbacks for challenging problems. DNNs learn complex non-linear embeddings, but do not naturally quantify uncertainty and are often data-inefficient to train. GPs infer posterior distributions over functions, but popular kernels exhibit limited expressivity on complex and high-dimensional data. Fortunately, recently discovered conjugate and neural tangent kernel functions encode the behavior of overparameterized neural networks in the kernel domain. We demonstrate that these kernels can be efficiently applied to regression and reinforcement learning problems by analyzing a baseline case study.We apply GPs with neural network dual kernels to solve reinforcement learning tasks for the first time. We demonstrate, using the well understood mountain-car problem, that GPs empowered with dual kernels perform at least as well as those using the conventional radial basis function kernel. Finally, we conjecture that by inheriting the probabilistic rigor of GPs and the powerful embedding properties of DNNs, GPs using NN dual kernels will empower future reinforcement learning models on difficult domains.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2005

A Reduced-frequency Approach for Calculating Dynamic Derivatives

Computational Fluid Dynamics (CFD) is increasingly being used to both augment and create an aerodynamic performance database for aircraft configurations. This aerodynamic database contains the response of the aircraft to varying flight conditions and control surface deflections. The current work presents a novel method for calculating dynamic stability derivatives which reduces the computational cost over traditional unsteady CFD approaches by an order of magnitude, while still being applicable to arbitrarily complex geometries over a wide range of flow regimes. The primary thesis of this work is that the response to a forced motion can often be represented with a small, predictable number of frequency components without loss of accuracy. By resolving only those frequencies of interest, the computational effort is significantly reduced so that the routine calculation of dynamic derivatives becomes practical. The current implementation uses this same non-linear, frequency-domain approach and extends the application to the 3-D Euler equations. The current work uses a Cartesian, embedded-boundary method to automate the generation of dynamic stability derivatives.

Murman, Scott M.↗
DOE OSTI2020

Systematic Evaluation of Backdoor Data Poisoning Attacks on Image Classifiers

Backdoor data poisoning attacks have recently been demonstrated in computer vision research as a potential safety risk for machine learning (ML) systems. Traditional data poisoning attacks manipulate training data to induce unreliability of an ML model, whereas backdoor data poisoning attacks maintain system performance unless the MLmodel is presented with an input containing an embedded“trigger” that provides a predetermined response advantageous to the adversary. Our work builds upon prior back-door data-poisoning research for ML image classifiers and systematically assesses different experimental conditions including types of trigger patterns, persistence of trigger patterns during retraining, poisoning strategies, architectures (ResNet-50, NasNet, NasNet-Mobile), datasets (Flowers, CIFAR-10), and potential defensive regularization techniques (Contrastive Loss, Logit Squeezing, Manifold Mixup,Soft-Nearest-Neighbors Loss). Experiments yield four key findings. First, the success rate of backdoor poisoning at-tacks varies widely, depending on several factors, including model architecture, trigger pattern and regularization technique. Second, we find that poisoned models are hard to detect through performance inspection alone. Third, regularization typically reduces backdoor success rate, although it can have no effect or even slightly increase it, depending on the form of regularization. Finally, backdoors inserted through data poisoning can be rendered ineffective after just a few epochs of additional training on a small set of clean data without affecting the model’s performance.

Truong, Loc T.↗