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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 1,333 records · Page 74
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Multispectral Quantitative Phase Imaging Using a Diffractive Optical Network

As a label‐free imaging technique, quantitative phase imaging (QPI) provides optical path length information of transparent specimens for various applications in biology, materials science, and engineering. Multispectral QPI measures quantitative phase information across multiple spectral bands, permitting the examination of wavelength‐specific phase and dispersion characteristics of samples. Herein, the design of a diffractive processor is presented that can all‐optically perform multispectral quantitative phase imaging of transparent phase‐only objects within a snapshot. The design utilizes spatially engineered diffractive layers, optimized through deep learning, to encode the phase profile of the input object at a predetermined set of wavelengths into spatial intensity variations at the output plane, allowing multispectral QPI using a monochrome focal plane array. Through numerical simulations, diffractive multispectral processors are demonstrated to simultaneously perform quantitative phase imaging at 9 and 16 target spectral bands in the visible spectrum. The generalization of these diffractive processor designs is validated through numerical tests on unseen objects, including thin Pap smear images. Due to its all‐optical processing capability using passive dielectric diffractive materials, this diffractive multispectral QPI processor offers a compact and power‐efficient solution for high‐throughput quantitative phase microscopy and spectroscopy.

36 MATERIALS SCIENCE↗
DOE OSTI2020

MFNets: Multifidelity data-driven networks for Bayesian learning and prediction

This paper presents a multifidelity uncertainty quantification framework called MFNets. We seek to address three existing challenges that arise when experimental and simulation data from different sources are used to enhance statistical estimation and prediction with quantified uncertainty. Specifically, we demonstrate that MFNets can (1) fuse heterogeneous data sources arising from simulations with different parameterizations, e.g simulation models with different uncertain parameters or data sets collected under different environmental conditions; (2) encode known relationships among data sources to reduce data requirements; and (3) improve the robustness of existing multi-fidelity approaches to corrupted data. MFNets construct a network of latent variables (LVs) to facilitate the fusion of data from an ensemble of sources of varying credibility and cost. These LVs are posited as explanatory variables that provide the source of correlation in the observed data. Furthermore, MFNets provide a way to encode prior physical knowledge to enable efficient estimation of statistics and/or construction of surrogates via conditional independence relations on the LVs. We highlight the utility of our framework with a number of theoretical results which assess the quality of the posterior mean as a frequentist estimator and compare it to standard sampling approaches that use single fidelity, multilevel, and control variate Monte Carlo estimators. We also use the proposed framework to derive the Monte Carlo-based control variate estimator entirely from the use of Bayes rule and linear-Gaussian models -- to our knowledge the first such derivation. Finally, we demonstrate the ability to work with different uncertain parameters across different models.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1990

Neural networks as a control methodology

While conventional computers must be programmed in a logical fashion by a person who thoroughly understands the task to be performed, the motivation behind neural networks is to develop machines which can train themselves to perform tasks, using available information about desired system behavior and learning from experience. There are three goals of this fellowship program: (1) to evaluate various neural net methods and generate computer software to implement those deemed most promising on a personal computer equipped with Matlab; (2) to evaluate methods currently in the professional literature for system control using neural nets to choose those most applicable to control of flexible structures; and (3) to apply the control strategies chosen in (2) to a computer simulation of a test article, the Control Structures Interaction Suitcase Demonstrator, which is a portable system consisting of a small flexible beam driven by a torque motor and mounted on springs tuned to the first flexible mode of the beam. Results of each are discussed.

Mccullough, Claire L.↗
DOE OSTI2021

Heat transport in liquid water from first-principles and deep neural network simulations

In this work, we compute the thermal conductivity of water within linear response theory from equilibrium molecular dynamics simulations, by adopting two different approaches. In one, the potential energy surface (PES) is derived on the fly from the electronic ground state of density functional theory (DFT) and the corresponding analytical expression is used for the energy flux. In the other, the PES is represented by a deep neural network (DNN) trained on DFT data, whereby the PES has an explicit local decomposition and the energy flux takes a particularly simple expression. By virtue of a gauge invariance principle, established by Marcolongo, Umari, and Baroni, the two approaches should be equivalent if the PES were reproduced accurately by the DNN model. We test this hypothesis by calculating the thermal conductivity, at the GGA (PBE) level of theory, using the direct formulation and its DNN proxy, finding that both approaches yield the same conductivity, in excess of the experimental value by approximately 60%. Besides being numerically much more efficient than its direct DFT counterpart, the DNN scheme has the advantage of being easily applicable to more sophisticated DFT approximations, such as meta-GGA and hybrid functionals, for which it would be hard to derive analytically the expression of the energy flux. We find in this way that a DNN model, trained on meta-GGA (SCAN) data, reduces the deviation from experiment of the predicted thermal conductivity by about 50%, leaving the question open as to whether the residual error is due to deficiencies of the functional, to a neglect of nuclear quantum effects in the atomic dynamics, or, likely, to a combination of the two.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Opinion dynamics in financial markets via random networks

We investigate financial market dynamics by introducing a heterogeneous agent-based opinion formation model. In this work, we organize individuals in a financial market according to their trading strategy, namely, whether they are noise traders or fundamentalists. The opinion of a local majority compels the market exchanging behavior of noise traders, whereas the global behavior of the market influences the decisions of fundamentalist agents. We introduce a noise parameter, q , to represent the level of anxiety and perceived uncertainty regarding market behavior, enabling the possibility of adrift financial action. We place individuals as nodes in an Erdös-Rényi random graph, where the links represent their social interactions. At any given time, individuals assume one of two possible opinion states ±1 regarding buying or selling an asset. The model exhibits fundamental qualitative and quantitative real-world market features such as the distribution of logarithmic returns with fat tails, clustered volatility, and the long-term correlation of returns. We use Student’s t distributions to fit the histograms of logarithmic returns, showing a gradual shift from a leptokurtic to a mesokurtic regime depending on the fraction of fundamentalist agents. Furthermore, we compare our results with those concerning the distribution of the logarithmic returns of several real-world financial indices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Catalyst: Fast and flexible modeling of reaction networks

We introduce Catalyst.jl, a flexible and feature-filled Julia library for modeling and high-performance simulation of chemical reaction networks (CRNs). Catalyst supports simulating stochastic chemical kinetics (jump process), chemical Langevin equation (stochastic differential equation), and reaction rate equation (ordinary differential equation) representations for CRNs. Through comprehensive benchmarks, we demonstrate that Catalyst simulation runtimes are often one to two orders of magnitude faster than other popular tools. More broadly, Catalyst acts as both a domain-specific language and an intermediate representation for symbolically encoding CRN models as Julia-native objects. This enables a pipeline of symbolically specifying, analyzing, and modifying CRNs; converting Catalyst models to symbolic representations of concrete mathematical models; and generating compiled code for numerical solvers. Leveraging ModelingToolkit.jl and Symbolics.jl, Catalyst models can be analyzed, simplified, and compiled into optimized representations for use in numerical solvers. Finally, we demonstrate Catalyst’s broad extensibility and composability by highlighting how it can compose with a variety of Julia libraries, and how existing open-source biological modeling projects have extended its intermediate representation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Supporting data for climatic clustering and longitudinal analysis with impacts on food, bioenergy, and pandemics

This data supports the conclusions found in climatic clustering and longitudinal analysis with impacts on food, bioenergy, and pandemics. Included here are (i) the binarized geolocation vectors used for exhaustive vector comparisons, (ii) the resulting climatic networks, (iii) the results of applying Markov clustering to the climatic networks, and (iv) the results of applying Correlation-of-Correlations (cor-cor) to the climatic networks. The set of binarized geolocation vectors that are used as inputs for the Combinatorial Metrics library (CoMet) are of the form comet-UUUUUxVVVVV-XXXX-YYYY.shuffled.tped where UUUUU is the number of vectors, VVVVV is the length of each vector, XXXX is the starting year, and YYYY is the ending year. Each line corresponds to a geolocation vector of binary elements A (i.e., 0) and T (i.e., 1). The set of climatic networks that are used for downstream network analysis are of the form network-U-way-XXXX-YYYY.parsed.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, and YYYY is the ending year. Each line corresponds to an edge linking two geolocations (defined by latitude and longitude) with its corresponding edge weight (i.e., DUO score). The set of cluster results are of the form clusters-U-way-XXXX-YYYY-thresh-VVVV-inflation-WWW.clustered.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, YYYY is the ending year, VVVV is the similarity threshold, and WWW is the Markov clustering inflation rate. Each line corresponds to a single cluster and is composed of a number of corresponding geolocations (defined by latitude and longitude). The set of cor-cor results are of the form corcor-U-way-XXXX-YYYY.cumulative.txt where U is the order of the comparison (2-way or 3-way), XXXX is the starting year, and YYYY is the ending year. Each line corresponds to a single geolocation with it's corresponding cor-cor value.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Accelerating Hamiltonian Monte Carlo for Bayesian inference in neural networks and neural operators

Hamiltonian Monte Carlo (HMC) is a powerful and accurate method to sample from the posterior distribution in Bayesian inference. However, HMC techniques are computationally demanding for Bayesian neural networks due to the high dimensionality of the network’s parameter space and the non-convexity of their posterior distributions. Therefore, various approximation techniques, such as variational inference (VI) or stochastic gradient MCMC, are often employed to infer the posterior distribution of the network parameters. Such approximations introduce inaccuracies in the inferred distributions, resulting in unreliable uncertainty estimates. In this work, we propose a hybrid approach that combines inexpensive VI and accurate HMC methods to efficiently and accurately quantify uncertainties in neural networks and neural operators. The proposed approach leverages an initial VI training on the full network. We examine the influence of individual parameters on the prediction uncertainty, which shows that a large proportion of the parameters do not contribute substantially to uncertainty in the network predictions. This information is then used to significantly reduce the dimension of the parameter space, and HMC is performed only for the subset of network parameters that strongly influence prediction uncertainties. This yields a framework for accelerating the full batch HMC for posterior inference in neural networks. We demonstrate the efficiency and accuracy of the proposed framework on deep neural networks and operator networks, showing that inference can be performed for large networks with tens to hundreds of thousands of parameters. Finally, we show that this method can effectively learn surrogates for complex physical systems by modeling the operator that maps from upstream conditions to wall-pressure data on a cone in hypersonic flow.

Bayesian inference↗
DOE OSTI2020

Toward lower-diameter large-scale HPC and data center networks with co-packaged optics

We investigate the advantages of using co-packaged optics for building low-diameter, large-scale high-performance computing (HPC) and data center networks. The increased escape bandwidth offered by co-packaged optics can enable high-radix switch implementations of more than 150 switch ports, which can be combined with data rates of up to 400 Gb/s per port. From the network architecture perspective, the key benefits of using co-packaged optics in future fat-tree networks include (a) the ability to implement large-scale topologies of > <#comment/> 11 , 000 end points by eliminating the need for a third switching layer and (b) the ability to provide up to 4 × <#comment/> higher bisection bandwidth compared to existing solutions, reducing at the same time the number of required switch application-specific integrated circuits by > <#comment/> 80 % <#comment/> . From the network operation perspective, both reduced energy consumption and lower packet delays can be achieved since fewer hops are required; i.e., packets need to traverse fewer serializer/deserializer lanes and fewer switch buffers, which reduces the probability of contending with other packets and improves the tolerance of network congestion. The performance of the proposed architecture is evaluated via discrete-event simulations for a wide range of representative HPC synthetic-traffic cases that include both hotspot and non-hotspot scenarios. The simulation results suggest that co-packaged optics form a promising solution to keep up with bandwidth scaling in future networks, while the reduced number of switching layers can lead to significant mean packet delay improvements that start from 30% and reach up to 74% for high-load conditions.

Maniotis, Pavlos (ORCID:0000000244905253)↗
DOE OSTI2024

Privacy-Preserving Control of Partitioned Energy Resources

Distributed energy resources are an increasingly important part of the electric grid. We examine the problem of partitioning a distributed energy resource among many users while providing privacy to them. In this model, clients can send requests to a server, the server can verify that the requests are valid and aggregate them, but it cannot see the actual values in the requests. Without privacy, each user is forced to reveal their daily schedule or energy use. Energy resources add a novel challenge that prior systems do not address: they require verifying limits on private power (a rate over time) and energy (a sum) values. Furthermore, the cryptographic mechanisms must run on embedded energy control systems. We describe Weft, a novel cryptographic system that verifies both power (rate) and energy (integral) constraints on private client values and aggregates them. The key insight behind the approach is to rely on additively homomorphic secret shares, which allows servers to compute sums from rates. We present 3 cryptographic proof systems with different system trade-off for embedded systems: bit-splitting proofs minimize memory use, sorting proofs minimize computation, and commitment proofs minimize network communication. Using bit-splitting proofs, it takes an IoT client using a CortexM microcontroller 4 minutes of compute time to privately control its share of an energy resource for a day at 20s granularity.

Laufer, Evan↗
NASA NTRS2002

Crime scene investigations using portable, non-destructive space exploration technology

The National Institute of Justice (NIJ) and the National Aeronautics and Space Administration's (NASAs) Goddard Space Flight Center (GSFC) have teamed up to explore the use of NASA developed technologies to help criminal justice agencies and professionals solve crimes. The objective of the program is to produce instruments and communication networks that have application within both NASA's space program and NIJ programs with state and local forensic laboratories. A working group of NASA scientists and law enforcement professionals has been established to develop and implement a feasibility demonstration program. Specifically, the group has focused its efforts on identifying gunpowder and primer residue, blood, and semen at crime scenes. Non-destructive elemental composition identification methods are carried out using portable X-ray fluorescence (XRF) systems. These systems are similar to those being developed for planetary exploration programs. A breadboard model of a portable XRF system has been constructed for these tests using room temperature silicon and cadmium-zinc telluride (CZT) detectors. Preliminary tests have been completed with gunshot residue (GSR), blood-spatter and semen samples. Many of the element composition lines have been identified. Studies to determine the minimum detectable limits needed for the analyses of GSR, blood and semen in the crime scene environment have been initiated and preliminary results obtained. Furthermore, a database made up of the inorganic composition of GSR is being developed. Using data obtained from the open literature of the elemental composition of barium (Ba) and antimony (Sb) in handswipes of GSR, we believe that there may be a unique GSR signature based on the Sb to Ba ratio.

Firearms↗
NASA NTRS1988

Space Flight Operations Center local area network

The existing Mission Control and Computer Center at JPL will be replaced by the Space Flight Operations Center (SFOC). One part of the SFOC is the LAN-based distribution system. The purpose of the LAN is to distribute the processed data among the various elements of the SFOC. The SFOC LAN will provide a robust subsystem that will support the Magellan launch configuration and future project adaptation. Its capabilities include (1) a proven cable medium as the backbone for the entire network; (2) hardware components that are reliable, varied, and follow OSI standards; (3) accurate and detailed documentation for fault isolation and future expansion; and (4) proven monitoring and maintenance tools.

Goodman, Ross V.↗
NASA NTRSDate not supplied

Using Mesh Networking for A Dynamic Lunar Internet of Things (Liot)

The purpose of this project is to evaluate the feasibility of an IEEE 802.11 mesh protocol for lunar surface computing. This standard for wireless networking boosts speed, dependability and range of wireless transmissions. The concept is to integrate sensors (such as deployed science instruments) or Astronaut tools (such as a handheld spectrometer) that communicate with a node on a common cell. The nodes can extend the range of the cell and can dynamically reconfigure the data routing in case of another node failure. All of the data in a cell pass through a modem that communicates with a distant base station across a 4G link. The application of mesh networking to a potential lunar surface network increases robustness and fault tolerance over a traditional single-point modem system. By demonstrating the basic capability of a mesh network, the student team has learned about issues with power, distance, thermal, dust, radiation, data processing, and communication problems applicable to the lunar surface. This knowledge can feed into future NASA requirements to improve the capability of a LunaNET implementation for the Artemis program. This project follows 10 years of successful collaboration between NASA ARES, Texas Space, Technology, Applications and Research (T STAR) and Texas A&M University in a Public, Private, Academic (PPA) Partnership. NASA funds T STAR to mentor undergraduate Capstone teams in the College of Engineering Department to design, built, and test prototypes meeting NASA requirements. TAMU faculty lead the student teams in their academic class, and NASA Subject Matter Experts (SMEs) provide T STAR and students insight on requirements evolution, prior design projects, and future development goals.

Lunar Mesh Networking↗
DOE OSTI2024

HSV ‐1 ICP0 dimer domain adopts a novel β‐barrel fold

Abstract Infected cell protein 0 (ICP0) is an immediate‐early regulatory protein of herpes simplex virus 1 (HSV‐1) that possesses E3 ubiquitin ligase activity. ICP0 transactivates viral genes, in part, through its C‐terminal dimer domain (residues 555–767). Deletion of this dimer domain results in reduced viral gene expression, lytic infection, and reactivation from latency. Since ICP0's dimer domain is associated with its transactivation activity and efficient viral replication, we wanted to determine the structure of this specific domain. The C‐terminus of ICP0 was purified from bacteria and analyzed by X‐ray crystallography to solve its structure. Each subunit or monomer in the ICP0 dimer is composed of nine β‐strands and two α‐helices. Interestingly, two adjacent β‐strands from one monomer “reach” into the adjacent subunit during dimer formation, generating two β‐barrel‐like structures. Additionally, crystallographic analyses indicate a tetramer structure is formed from two β‐strands of each dimer, creating a “stacking” of the β‐barrels. The structural protein database searches indicate the fold or structure adopted by the ICP0 dimer is novel. The dimer is held together by an extensive network of hydrogen bonds. Computational analyses reveal that ICP0 can either form a dimer or bind to SUMO1 via its C‐terminal SUMO‐interacting motifs but not both. Understanding the structure of the dimer domain will provide insights into the activities of ICP0 and, ultimately, the HSV‐1 life cycle.

Biochemistry & Molecular Biology↗
DOE OSTI2022

Using advanced data structures to enable responsive security monitoring

Write-optimized data structures (WODS), offer the potential to keep up with cyberstream event rates and give sub-second query response for key items like IP addresses. These data structures organize logs as the events are observed. To work in a real-world environment and not fill up the disk, WODS must efficiently expire older events. As the basis for our research into organizing security monitoring data, we implemented a tool, called Diventi, to index IP addresses in connection logs using RocksDB (a write-optimized LSM tree). In this work, we extended Diventi to automatically expire data as part of the data structures’ normal operations. We guarantee that Diventi always tracks the N most recent events and tracks no more than N + k events for a parameter k < N, while ensuring the index is opportunistically pruned. To test Diventi at scale in a controlled environment, we used anonymized traces of IP communications collected at SuperComputing 2019. We synthetically extended the 2.4 billion connection events to 100 billion events. We tested Diventi vs. Elasticsearch, a common log indexing tool. In our test environment, Elasticsearch saw an ingestion rate of at best 37,000 events/s while Diventi sustained ingestion rates greater than 171,000 events/s. Our query response times were as much as 100 times faster, typically answering queries in under 80 ms. Furthermore, we saw no noticeable degradation in Diventi from expiration. We have deployed Diventi for many months where it has performed well and supported new security analysis capabilities.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

The contributions of microclimatic information in advancing ecosystem science

Drawing upon over 100 years of scholarly work on microclimate, we first present an overview of the history, key references, and critical issues surrounding the collection and utilization of microclimate records in ecosystem studies. We place particular emphasis on addressing specific and pressing issues related to the applications of microclimate at the community-ecosystem-landscape level, excluding those of controlled experiment such as growth chambers and greenhouses. Specifically, we: (1) highlight some key issues concerning the collection, quality assurance/quality control (QA/QC), and utilization of microclimatic data in ecosystem studies; (2) revisit microclimatic responses to the structural changes of ecosystems and landscapes; and (3) emphasize the significance of microclimate in understanding major ecosystem/landscape processes and functions. Vapor pressure deficit (VPD) is particularly emphasized for its calculation and use because of its burgeoning applications in the literature. Case studies for each of the three thematic topics are provided with selected references to demonstrate challenges and solutions. As the scientific community gears up to enhance microclimatic stations, we envision significant increases in the use of smart sensors, wireless access, networking, open databases, and computational capabilities. Understanding and addressing some of the issues raised in this synthesis paper may help advance microclimate research and foster collaboration with other relevant disciplines, such as ecosystem science.

54 ENVIRONMENTAL SCIENCES↗