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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Supervised enhancer prediction with epigenetic pattern recognition and targeted validation

Enhancers are important non-coding elements, but they have traditionally been hard to characterize experimentally. The development of massively parallel assays allows the characterization of large numbers of enhancers for the first time. Here, we developed a framework using Drosophila STARR-seq to create shape-matching filters based on meta-profiles of epigenetic features. We integrated these features with supervised machine-learning algorithms to predict enhancers. We further demonstrated that our model could be transferred to predict enhancers in mammals. We comprehensively validated the predictions using a combination of in vivo and in vitro approaches, involving transgenic assays in mice and transduction-based reporter assays in human cell lines (153 enhancers in total). The results confirmed that our model can accurately predict enhancers in different species without re-parameterization. Finally, we examined the transcription factor binding patterns at predicted enhancers versus promoters. Here, we demonstrated that these patterns enable the construction of a secondary model that effectively distinguishes enhancers and promoters.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS1995

Application of high-performance computing to numerical simulation of human movement

We have examined the feasibility of using massively-parallel and vector-processing supercomputers to solve large-scale optimization problems for human movement. Specifically, we compared the computational expense of determining the optimal controls for the single support phase of gait using a conventional serial machine (SGI Iris 4D25), a MIMD parallel machine (Intel iPSC/860), and a parallel-vector-processing machine (Cray Y-MP 8/864). With the human body modeled as a 14 degree-of-freedom linkage actuated by 46 musculotendinous units, computation of the optimal controls for gait could take up to 3 months of CPU time on the Iris. Both the Cray and the Intel are able to reduce this time to practical levels. The optimal solution for gait can be found with about 77 hours of CPU on the Cray and with about 88 hours of CPU on the Intel. Although the overall speeds of the Cray and the Intel were found to be similar, the unique capabilities of each machine are better suited to different portions of the computational algorithm used. The Intel was best suited to computing the derivatives of the performance criterion and the constraints whereas the Cray was best suited to parameter optimization of the controls. These results suggest that the ideal computer architecture for solving very large-scale optimal control problems is a hybrid system in which a vector-processing machine is integrated into the communication network of a MIMD parallel machine.

NASA Discipline Musculoskeletal↗
NASA NTRS1987

Development of tailorable advanced blanket insulation for advanced space transportation systems

Two items of Tailorable Advanced Blanket Insulation (TABI) for Advanced Space Transportation Systems were produced. The first consisted of flat panels made from integrally woven, 3-D fluted core having parallel fabric faces and connecting ribs of Nicalon silicon carbide yarns. The triangular cross section of the flutes were filled with mandrels of processed Q-Fiber Felt. Forty panels were prepared with only minimal problems, mostly resulting from the unavailability of insulation with the proper density. Rigidizing the fluted fabric prior to inserting the insulation reduced the production time. The procedures for producing the fabric, insulation mandrels, and TABI panels are described. The second item was an effort to determine the feasibility of producing contoured TABI shapes from gores cut from flat, insulated fluted core panels. Two gores of integrally woven fluted core and single ply fabric (ICAS) were insulated and joined into a large spherical shape employing a tadpole insulator at the mating edges. The fluted core segment of each ICAS consisted of an Astroquartz face fabric and Nicalon face and rib fabrics, while the single ply fabric segment was Nicalon. Further development will be required. The success of fabricating this assembly indicates that this concept may be feasible for certain types of space insulation requirements. The procedures developed for weaving the ICAS, joining the gores, and coating certain areas of the fabrics are presented.

Calamito, Dominic P.↗
NASA NTRS2010

SIM Lite: Ground Alignment of the Instrument

We present the start of the ground alignment plan for the SIM Lite Instrument. We outline the integration and alignment of the individual benches on which all the optics are mounted, and then the alignment of the benches to form the Science and Guide interferometers. The Instrument has a guide interferometer with only a 40 arc-seconds field of regard, and 200 arc-seconds of alignment adjustability. This requires each sides of the interferometer to be aligned to a fraction of that, while at the same time be orthogonal to the baseline defined by the External Metrology Truss. The baselines of the Science and Guide interferometers must also be aligned to be parallel. The start of these alignment plans is captured in a SysML Instrument System model, in the form of activity diagrams. These activity diagrams are then related to the hardware design and requirements. We finish with future plans for the alignment and integration activities and requirements.

Alignment plan↗
DOE OSTI2024

Rapid in situ diversification rates in Rhamnaceae explain the parallel evolution of high diversity in temperate biomes from global to local scales

Summary The macroevolutionary processes that have shaped biodiversity across the temperate realm remain poorly understood and may have resulted from evolutionary dynamics related to diversification rates, dispersal rates, and colonization times, closely coupled with Cenozoic climate change. We integrated phylogenomic, environmental ordination, and macroevolutionary analyses for the cosmopolitan angiosperm family Rhamnaceae to disentangle the evolutionary processes that have contributed to high species diversity within and across temperate biomes. Our results show independent colonization of environmentally similar but geographically separated temperate regions mainly during the Oligocene, consistent with the global expansion of temperate biomes. High global, regional, and local temperate diversity was the result of high in situ diversification rates, rather than high immigration rates or accumulation time, except for Southern China, which was colonized much earlier than the other regions. The relatively common lineage dispersals out of temperate hotspots highlight strong source‐sink dynamics across the cosmopolitan distribution of Rhamnaceae. The proliferation of temperate environments since the Oligocene may have provided the ecological opportunity for rapid in situ diversification of Rhamnaceae across the temperate realm. Our study illustrates the importance of high in situ diversification rates for the establishment of modern temperate biomes and biodiversity hotspots across spatial scales.

Plant Sciences↗
DOE OSTI2024

Increased accuracy of multiphysics simulations through flexible execution, transient algorithms, and modular physics

The MOOSE framework is a foundational capability used by the NEAMS program to create over 15 different simulation tools for advanced nuclear reactors. Due to MOOSE’s broad use, improvements to the framework in support of modeling and simulation goals are critical to the program. Such improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work described in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities were implemented in the same order as they are covered in this report: multiple time integrators in the same input file, initial design of framework Components, an input file Application block, extension of NetGen to 3D geometries in MOOSE, and deployment of executors in the multi-system paradigm. These five additions are fundamental capabilities that will be leveraged by many NEAMS applications.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Combining machine-learned and empirical force fields with the parareal algorithm: application to the diffusion of atomistic defects

We numerically investigate an adaptive version of the parareal algorithm in the context of molecular dynamics. This adaptive variant has been originally introduced in [1]. We focus here on test cases of physical interest where the dynamics of the system is modelled by the Langevin equation and is simulated using the molecular dynamics software LAMMPS. In this work, the parareal algorithm uses a family of machine-learning spectral neighbor analysis potentials (SNAP) as fine, reference, potentials and embedded-atom method potentials (EAM) as coarse potentials. We consider a self-interstitial atom in a tungsten lattice and compute the average residence time of the system in metastable states. Our numerical results demonstrate significant computational gains using the adaptive parareal algorithm in comparison to a sequential integration of the Langevin dynamics. We also identify a large regime of numerical parameters for which statistical accuracy is reached without being a consequence of trajectorial accuracy.

36 MATERIALS SCIENCE↗
NASA NTRS1978

Studies in optical parallel processing

Threshold and A/D devices for converting a gray scale image into a binary one were investigated for all-optical and opto-electronic approaches to parallel processing. Integrated optical logic circuits (IOC) and optical parallel logic devices (OPA) were studied as an approach to processing optical binary signals. In the IOC logic scheme, a single row of an optical image is coupled into the IOC substrate at a time through an array of optical fibers. Parallel processing is carried out out, on each image element of these rows, in the IOC substrate and the resulting output exits via a second array of optical fibers. The OPAL system for parallel processing which uses a Fabry-Perot interferometer for image thresholding and analog-to-digital conversion, achieves a higher degree of parallel processing than is possible with IOC.

Lee, S. H.↗
DOE OSTI2021

Cybersecurity for Grid Connected eXtreme Fast Charging (XFC) Station (CyberX) (Final Scientific/Technical Report)

This report summarizes the activities conducted under the DOE VTO funded project DE- EE0008451, where ABB Inc. (ABB), in collaboration with Idaho National Laboratory (INL), APS Global (APS), and XOS Trucks (XOS) pursued the development of a cyber-resilient extreme fast charging (XFC) management system. This project entitled Cybersecurity for Grid Connected eXtreme Fast Charging (XFC) Station (CyberX) focuses on a resilient architecture for smart charging EV Supply Equipment (EVSE) device control and Coordinated Anomaly Detection System (CADS) features that can be added at the charging site depot level to increase cybersecurity. The project was split into two budget periods focused first on developing the threat model and resilient control concepts and second on testing, improving, and validating those developed resilient control algorithms and features with a focus on key vulnerabilities identified during the threat assessment portion of the project. During the first budget period of the CyberX project, the ABB led team focused on activities to identify, model, and quantitatively prioritize high-impact attack scenarios with potential cyber-physical effects while also modeling and developing concepts for a resilient control system that could securely address integration of DERs and other resources with EV charging. Development of the security focused XFC management system (XMS) was accomplished first by offline simulation using a developed XFC station or depot with 480V input level and simulating measurement inputs to monitoring and control systems in concept development. A representative distribution grid model was developed supporting an EV charging site model with BESS and 6 general EV charging models. These EV charging models allowed multiple configurations of charging level, multiple connected protection and measurement devices, and simulation function to show general compromise of EV, BESS, and protection features based on parallel threat analysis. During the second budget period, the EV site and supporting systems model was developed in more detail and converted from offline model to real-time to real-time with EV charging hardware in the loop (HIL). The resilient control architecture developed as concept in the first part of the project was further tested and validated for integration of local energy resources and XFC charging station site equipment while maintaining cybersecure operating principles. The proposed resilient architecture for smart charging and cybersecurity features consists of two main concepts developed and tested within the project. The first concept is an XFC management system (XMS) consisting of a hardware gateway, software platform, and Supervisory Control and Data Acquisition (SCADA) or Distribution Management System integration components. The second concept is a Coordinated Anomaly Detection System (CADS) which forms a primarily software-related subsystem of the total CyberX solution focused on monitoring system measurements, estimation of measurement states, and predicting current at the utility point of interaction based on machine learning for anomaly detection.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Decoding the protein–ligand interactions using parallel graph neural networks

Abstract Protein–ligand interactions (PLIs) are essential for biochemical functionality and their identification is crucial for estimating biophysical properties for rational therapeutic design. Currently, experimental characterization of these properties is the most accurate method, however, this is very time-consuming and labor-intensive. A number of computational methods have been developed in this context but most of the existing PLI prediction heavily depends on 2D protein sequence data. Here, we present a novel parallel graph neural network (GNN) to integrate knowledge representation and reasoning for PLI prediction to perform deep learning guided by expert knowledge and informed by 3D structural data. We develop two distinct GNN architectures: $$\hbox {GNN}_{\mathrm{F}}$$ GNN F is the base implementation that employs distinct featurization to enhance domain-awareness, while $$\hbox {GNN}_{\mathrm{P}}$$ GNN P is a novel implementation that can predict with no prior knowledge of the intermolecular interactions. The comprehensive evaluation demonstrated that GNN can successfully capture the binary interactions between ligand and protein’s 3D structure with 0.979 test accuracy for $$\hbox {GNN}_{\mathrm{F}}$$ GNN F and 0.958 for $$\hbox {GNN}_{\mathrm{P}}$$ GNN P for predicting activity of a protein–ligand complex. These models are further adapted for regression tasks to predict experimental binding affinities and $$\hbox {pIC}_{\mathrm{50}}$$ pIC 50 crucial for compound’s potency and efficacy. We achieve a Pearson correlation coefficient of 0.66 and 0.65 on experimental affinity and 0.50 and 0.51 on $$\hbox {pIC}_{\mathrm{50}}$$ pIC 50 with $$\hbox {GNN}_{\mathrm{F}}$$ GNN F and $$\hbox {GNN}_{\mathrm{P}}$$ GNN P , respectively, outperforming similar 2D sequence based models. Our method can serve as an interpretable and explainable artificial intelligence (AI) tool for predicted activity, potency, and biophysical properties of lead candidates. To this end, we show the utility of $$\hbox {GNN}_{\mathrm{P}}$$ GNN P on SARS-Cov-2 protein targets by screening a large compound library and comparing the prediction with the experimentally measured data.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Observation of a magneto-Rayleigh-Taylor instability in magnetically collimated plasma jets

We present the direct experimental observation of the formation of a diamagnetic cavity and magneto-Rayleigh-Taylor (MRT) instability in a β ≈ 1 high energy density plasma. Proton radiography is used to measure the two dimensional path-integrated magnetic field in a laser-produced plasma propagating parallel to a preimposed magnetic field. Flutelike structures, associated with the MRT instability, are observed to grow at the surface of the cavity, with a measured wavelength of 1.2 mm and growth time of 4 ns. These measurements are in good agreement with predictions of three dimensional magnetohydrodynamic simulations using the GORGON code. Published by the American Physical Society 2024

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Toward a Fully Integrated Multiphysics Simulation Framework for Fusion Blanket Design

Fusion is an attractive clean-energy solution, thanks to its various advantages, such as reduced radioactivity, little high-level nuclear waste, ample fuel supplies, and increased safety. However, the harsh operating environment introduced by a complex fusion plasma system makes design and integration of fusion blankets incredibly challenging and time-consuming. This work focuses on developing a fully integrated multiphysics simulation framework based on an advanced open-source platform—the Multiphysics Object-Oriented Simulation Environment (MOOSE)—to alleviate the difficulties in fusion blanket design and integration. MOOSE is a massively parallel finite element/volume multiphysics simulation platform that has been widely adopted within the nuclear fission community. Even though fission and fusion are fundamentally different, they involve similar multiphysics phenomena. A fully integrated open-source multiphysics simulation framework tailored for the fusion blanket design will be implemented by leveraging the well-established multiphysics capabilities in MOOSE. Once successfully developed, this fully integrated framework will rapidly evaluate a blanket design concept and offer insights for subsequent iterations. As the first step, we will mainly aim to integrate neutronics analysis, system thermal hydraulics simulation, and full 3-D heat transfer calculations. The efficacy of the integrated framework will be verified using an innovative solid ceramic blanket design. While the project’s final goal is to enable a fully integrated multiphysics simulation platform for various fusion blanket concepts, here this work, as a preliminary step, will mainly focus on a solid ceramic breeder helium-cooled blanket.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1978

Time-delay-and-integration charge-coupled devices using tin oxide gate technology

Doped tin oxide gates are used in a time-delay-and-integration (TDI) CCD scheme in an effort to develop a stable transparent gate technology. Design characteristics of the system are discussed, including 2 sections of 10 by 9 integration stages, four-phase buried channel construction, and 10 input parallel-in/serial-out output shift register at a video rate of 1.25 MHz. A quantum efficiency of 65% with smooth spectral response is attained by front surface imaging. The suitability of the system for the Landsat program is discussed in terms of TDI-CCD operating parameters.

Thompson, L. L.↗
NASA NTRS1982

Investigation of rotational transonic flows through ducts using a finite element scheme

An application of the finite element method is presented in order to study the flow through a two-dimensional channel including the choked and nearly-choked flow conditions. The mathematical procedure provides a combined treatment of potential and Euler equations, where the steady Euler equations are solved through the integration of a pseudo-time system which is equivalent to a relaxation scheme; the isentropic, potential flow equations are embedded in this formulation. To analyze the transonic flow through a channel with near-choked flow conditions, the flow through a parallel channel with a 10 percent circular arc bump is calculated as a sample problem.

Akay, H. U.↗
NASA NTRS2002

Implementation of Adaptive Digital Controllers on Programmable Logic Devices

Much has been made of the capabilities of Field Programmable Gate Arrays (FPGA's) in the hardware implementation of fast digital signal processing functions. Such capability also makes an FPGA a suitable platform for the digital implementation of closed loop controllers. Other researchers have implemented a variety of closed-loop digital controllers on FPGA's. Some of these controllers include the widely used Proportional-Integral-Derivative (PID) controller, state space controllers, neural network and fuzzy logic based controllers. There are myriad advantages to utilizing an FPGA for discrete-time control functions which include the capability for reconfiguration when SRAM- based FPGA's are employed, fast parallel implementation of multiple control loops and implementations that can meet space level radiation tolerance requirements in a compact form-factor. Generally, a software implementation on a Digital Signal Processor (DSP) device or microcontroller is used to implement digital controllers. At Marshall Space Flight Center, the Control Electronics Group has been studying adaptive discrete-time control of motor driven actuator systems using DSP devices. While small form factor, commercial DSP devices are now available with event capture, data conversion, Pulse Width Modulated (PWM) outputs and communication peripherals, these devices are not currently available in designs and packages which meet space level radiation requirements. In general, very few DSP devices are produced that are designed to meet any level of radiation tolerance or hardness. An alternative is required for compact implementation of such functionality to withstand the harsh environment encountered on spacemap. The goal of this effort is to create a fully digital, flight ready controller design that utilizes an FPGA for implementation of signal conditioning for control feedback signals, generation of commands to the controlled system, and hardware insertion of adaptive-control algorithm approaches. Radiation tolerant FPGA's are a feasible option for reaching this goal.

Gwaltney, David A.↗
NASA NTRS1993

Photodetector Array For Neural Network

Integrated circuit performs 1,024 threshold operations in parallel. Designed for use in postprocessing output of optical correlator in optoelectronic neural network. Overall function of device to put out digital signals indicative of location(s) of bright spot(s) on detector plane. Response time less than commercial charge-coupled-device (CCD) imaging detector operating at standard television frame rate.

Langenbacher, Harry↗
NASA NTRS1994

The Hubble Space Telescope Medium Deep Survey with the Wide Field and Planetary Camera. 1: Methodology and results on the field near 3C 273

We present results from the Medium Deep Survey (MDS), a Key Project using the Hubble Space Telescope (HST). Wide Field Camera (WFC) images of random fields have been taken in 'parallel mode' with an effective resolution of 0.2 sec full width at half maximum (FWHM) in the V(F555W) and I(F785LP) filters. The exposures presented here were targeted on a field away from 3C 273, and resulted in approximately 5 hr integration time in each filter. Detailed morphological structure is seen in galaxy images with total integrated magnitudes down to V approximately = 22.5 and I approximately = 21.5. Parameters are estimated that best fit the observed galaxy images, and 143 objects are identified (including 23 stars) in the field to a fainter limiting magnitude of I approximately = 23.5. We outline the extragalactic goals of the HST Medium Deep Survey, summarize our basic data reduction procedures, and present number (magnitude) counts, a color-magnitude diagram for the field, surface brightness profiles for the brighter galaxies, and best-fit half-light radii for the fainter galaxies as a function of apparent magnitude. A median galaxy half-light radius of 0.4 sec is measured, and the distribution of galaxy sizes versus magnitude is presented. We observe an apparent deficit of galaxies with half-light radii between approximately 0.6 sec and 1.5 sec, with respect to standard no-evolution or mild evolution cosmological models. An apparent excess of compact objects (half-light radii approximately 0.1 sec) is also observed with respect to those models. Finally, we find a small excess in the number of faint galaxy pairs and groups with respect to a random low-redshift field sample.

Griffiths, R. E.↗
NASA NTRS2002

Implementation of Adaptive Digital Controllers on Programmable Logic Devices

Much has been made of the capabilities of FPGA's (Field Programmable Gate Arrays) in the hardware implementation of fast digital signal processing. Such capability also makes an FPGA a suitable platform for the digital implementation of closed loop controllers. Other researchers have implemented a variety of closed-loop digital controllers on FPGA's. Some of these controllers include the widely used proportional-integral-derivative (PID) controller, state space controllers, neural network and fuzzy logic based controllers. There are myriad advantages to utilizing an FPGA for discrete-time control functions which include the capability for reconfiguration when SRAM-based FPGA's are employed, fast parallel implementation of multiple control loops and implementations that can meet space level radiation tolerance requirements in a compact form-factor. Generally, a software implementation on a DSP (Digital Signal Processor) or microcontroller is used to implement digital controllers. At Marshall Space Flight Center, the Control Electronics Group has been studying adaptive discrete-time control of motor driven actuator systems using digital signal processor (DSP) devices. While small form factor, commercial DSP devices are now available with event capture, data conversion, pulse width modulated (PWM) outputs and communication peripherals, these devices are not currently available in designs and packages which meet space level radiation requirements. In general, very few DSP devices are produced that are designed to meet any level of radiation tolerance or hardness. The goal of this effort is to create a fully digital, flight ready controller design that utilizes an FPGA for implementation of signal conditioning for control feedback signals, generation of commands to the controlled system, and hardware insertion of adaptive control algorithm approaches. An alternative is required for compact implementation of such functionality to withstand the harsh environment encountered on spacecraft. Radiation tolerant FPGA's are a feasible option for reaching this goal.

Gwaltney, David A.↗