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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Spinbox: tools for many-body quantum systems in a Monte Carlo context

Spinbox is a piece of software that facilitates quantum mechanical calculations relevant to Monte Carlo simulation of atomic nuclei. At the front lines of research on the nuclear many-body problem are a large number of supercomputer-scale simulation codes. These codes produce valuable results but can be hard to understand, especially for those without intimate knowledge of the relevant theoretical methods. Thus, tools that fill pedagogical roles are extremely valuable. Spinbox makes it easy for one to replicate and analyze the computational processes relevant to a Quantum Monte Carlo (QMC) simulation that may be difficult to understand/debug/analyze due to the scale of the corresponding simulation software. Spinbox is written in Python using other state-of-the-art Python modules for numerical calculations. While a number of Python libraries exist that are suited to general quantum many-body calculations, the motivation of Spinbox is quite particular. In Diffusion Monte Carlo methods (DMC, GFMC, AFDMC), the central calculation is the imaginary-time propagation of individual samples of the many-body wavefunction. Although quantum wavefunctions generally must be described by a probability distribution over a basis, DMC imbues particles (within one sample) with classical spatial coordinates. This method is unusual, so other Python packages are typically not set up to do this easily. Furthermore, the software has built-in options for nuclear systems assuming isospin symmetry, which can be set up with other libraries but is a nontrivial process to do so. Features: - numerical representation of samples of the many-body wavefunctions, including tensor-product states (used in AFDMC) - numerical representation of many-body operators, including tensor-product operators: general, spin, imaginary-time propagation, etc. - the correct associated arithmetic and algebra, implemented as class methods - classes for representing realistic nuclear two- and three-body Hamiltonians (e.g. Argonne V18, Illinois NNN) - large-scale parallel integration over random variables, crucial for the AFDMC method My goal is to make this package open source so that anyone may use it and contribute to it, particularly other researchers doing AFDMC calculations

Fox, Jordan↗
DOE OSTI2020

Interpreting High-resolution Spectroscopy of Exoplanets using Cross-correlations and Supervised Machine Learning

We present a new method for performing atmospheric retrieval on ground-based, high-resolution data of exoplanets. Our method combines cross-correlation functions with a random forest, a supervised machine-learning technique, to overcome challenges associated with high-resolution data. A series of cross-correlation functions are concatenated to give a “CCF-sequence” for each model atmosphere, which reduces the dimensionality by a factor of ∼100. The random forest, trained on our grid of ∼65,000 models, provides a likelihood-free method of retrieval. The precomputed grid spans 31 values of both temperature and metallicity, and incorporates a realistic noise model. We apply our method to HARPS-N observations of the ultra-hot Jupiter KELT-9b and obtain a metallicity consistent with solar (logM = − 0.2 ± 0.2). Our retrieved transit chord temperature (T=6000{sub −200}{sup +0}K) is unreliable as strong ion lines lie outside of the extent of the training set, which we interpret as being indicative of missing physics in our atmospheric model. We compare our method to traditional nested sampling, as well as other machine-learning techniques, such as Bayesian neural networks. We demonstrate that the likelihood-free aspect of the random forest makes it more robust than nested sampling to different error distributions, and that the Bayesian neural network we tested is unable to reproduce complex posteriors. We also address the claim in Cobb et al. 2019 that our random forest retrieval technique can be overconfident but incorrect. We show that this is an artifact of the training set, rather than of the machine-learning method, and that the posteriors agree with those obtained using nested sampling.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2004

Evaluation of Rock Powdering Methods to Obtain Fine-grained Samples for CHEMIN, a Combined XRD/XRF Instrument

A miniature XRD/XRF (X-ray diffraction / X-ray fluorescence) instrument, CHEMIN, is currently being developed for definitive mineralogic analysis of soils and rocks on Mars. One of the technical issues that must be addressed to enable remote XRD analysis is how best to obtain a representative sample powder for analysis. For powder XRD analyses, it is beneficial to have a fine-grained sample to reduce preferred orientation effects and to provide a statistically significant number of crystallites to the X-ray beam. Although a two-dimensional detector as used in the CHEMIN instrument will produce good results even with poorly prepared powder, the quality of the data will improve and the time required for data collection will be reduced if the sample is fine-grained and randomly oriented. A variety of methods have been proposed for XRD sample preparation. Chipera et al. presented grain size distributions and XRD results from powders generated with an Ultrasonic/Sonic Driller/Corer (USDC) currently being developed at JPL. The USDC was shown to be an effective instrument for sampling rock to produce powder suitable for XRD. In this paper, we compare powder prepared using the USDC with powder obtained with a miniaturized rock crusher developed at JPL and with powder obtained with a rotary tungsten carbide bit to powders obtained from a laboratory bench-scale Retsch mill (provides benchmark mineralogical data). These comparisons will allow assessment of the suitability of these methods for analysis by an XRD/XRF instrument such as CHEMIN.

Chipera, S. J.↗
DOE OSTI2024

Evaluating disease surveillance strategies for early outbreak detection in contact networks with varying community structure

Disease surveillance systems allow public health agencies to respond to emerging diseases before they become widespread. Developing such systems requires identifying optimal ways to monitor in the context of an epidemic outbreak; this problem is known as sensor selection. Contact networks represent the dynamics of interaction in a population and are used to model how a disease spreads in a population and to explore strategies of sensor selection. We evaluated five sensor selection strategies on their ability to provide an early warning of a COVID-like outbreak in synthetic contact networks encapsulated in four network scenarios. Three of these scenarios assessed different aspects of community structure. The fourth scenario employed a contact network representing the population and interactions of 6.8 million people in New York City, constructed from an agent-based simulation using census and transportation data. This scenario exemplifies how sensor selection strategies may perform in a real-world, urban context. Our findings suggest that the choice of the optimal strategy depends heavily on the community structure of the network. Strategies that select highly connected nodes or maximize network coverage are the optimal surveillance strategy for outbreak detection in many network community structures. However, a naive implementation of these strategies may fail to provide an early warning at all—including in the New York City scenario. Moreover, these methods are impractical for real-world use as they require knowledge of the underlying contact network. Instead, a selection strategy that starts with a set of random nodes and then performs a random walk through a chain of neighbors reliably provides early warnings without requiring prior knowledge of the network. We find this method, called “random chain”, to be the most pragmatic for implementation in a real-world disease surveillance context.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1987

NESSUS/expert and NESSUS/FPI in the Probabilistic Structural Analysis Methods (PSAM) program

The Numerical Evaluation of Stochastic Structures under Stress (NESSUS) is the primary computer code being developed in the NASA Probabilistic Structural Analysis Methods (PSAM) project. It consists of four modules NESSUS/EXPERT, NESSUS/FPI, NESSUS/PRE and NESSUS/FEM. This presentation concentrates on EXPERT and FPI. To provide an effective interface between NESSUS and the user, an expert system module called NESSUS/EXPERT is being developed. That system uses the CLIPS artificial intelligence code developed to NASA-JSC. The code is compatible with FORTRAN, the standard language for codes in PSAM. The user interacts with the CLIPS inference engine, which is linked to the knowledge database. The perturbation database generated by NESSUS/FEM and managed in EXPERT is used to develop the so-called response or performance model in the random variables. Two independent probabilistic methods are available in PSAM for the computation of the probabilistic structural response. These are the Fast Probability Integration (FPI) method and Monte Carlo simulation. FPI is classified as an advanced reliability method and has been developed over the past ten years by researchers addressing the reliability of civil engineering structures. Monte Carlo is a well-established technique for computing probabilities by conducting a number of deterministic analyses with specified input distributional information.

Burnside, O. H.↗
DOE OSTI2021

Novel 2D velocity estimation method for large transient events in plasmas

Dynamics of fast transient events are challenging to be analyzed with high time resolution. Such events can occur in fusion plasmas such as the filaments during edge-localized modes (ELMs). Here, we present a robust method—the spatial displacement estimation—for estimating the displacements of structures with fast dynamics from high spatial and time resolution imaging diagnostics [e.g., gas-puff imaging (GPI)] with sampling time temporal resolution. First, a background suppression method is shown, which suppresses the slowly time-evolving and spatially non-uniform background in the signal. In the second step, a two-dimensional polynomial trend subtraction method is presented to tackle the remaining polynomial order trend in the signal. After performing these pre-processing steps, the spatial displacement of the propagating structure is estimated from the two-dimensional spatial cross-correlation coefficient function calculated between consecutive frames. The method is tested for its robustness and accuracy by simulated Gaussian events and spatially displaced random noise. An example application of the method is presented on propagating ELM filaments measured by the GPI system on the National Spherical Torus Experiment spherical tokamak.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

UNDERSTANDING THE SEMI-PROBABILISTIC APPROACHES IN STRUCTURAL RELIABILITY USED TO SET DESIGN RELIABILITY TARGETS FOR GRAPHITE COMPONENTS USING ASME BPVC METHODS

Graphite is a quasi-brittle material, resulting in random variability in tensile strength distributions. To account for the random variability in strength, HHA-3000 of the ASME BPVC provides two semi-probabilistic methods for qualifying nuclear graphite components in the design stage, the simplified and full assessments. The full and simplified assessments apply statistical methods to engineering-based design problems. This is often referred to as reliability-based design. Reliability-based design (RBD) is a method to develop reliable designs by accounting for uncertainties and result in small chances of failure when also considering safety factors. RBDs provide reliability targets using semi-probabilistic approaches. RBD is implemented in ASME BPVC HHA-3000 for nuclear graphite components, but is not specific to that application. There has been much confusion around the methods implemented in ASME BPVC HHA-3000 for qualifying nuclear graphite components. To address the confusion, this paper takes a hierarchical approach. First, the general RBD framework is presented. Then, the semi-probabilistic methods and the underlying assumptions implemented in the assessments are presented. The semi-probabilistic methods are separated from the engineering modifications that have been made to the assessments. After building the framework and underlying assumptions, the specific methods in the full and simplified assessments are explained in three steps: inputs, methods, outputs. The methods are applied to an H-451 reflector block. Tensile strength properties for other graphite grades are provided.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1992

Neural network based adaptive control of nonlinear plants using random search optimization algorithms

This paper presents a method for utilizing artificial neural networks for direct adaptive control of dynamic systems with poorly known dynamics. The neural network weights (controller gains) are adapted in real time using state measurements and a random search optimization algorithm. The results are demonstrated via simulation using two highly nonlinear systems.

Boussalis, Dhemetrios↗
DOE OSTI2021

Nonlinear dynamics and quantum chaos of a family of kicked p -spin models

Herein we introduce kicked p-spin models describing a family of transverse Ising-like models for an ensemble of spin-1/2 particles with all-to-all p-body interaction terms occurring periodically in time as delta-kicks. This is the natural generalization of the well-studied quantum kicked top (p = 2) [Haake, Kus', and Scharf, Z. Phys. B 65, 381 (1987)]. We fully characterize the classical nonlinear dynamics of these models, including the transition to global Hamiltonian chaos. The classical analysis allows us to build a classification for this family of models, distinguishing between p = 2 and p > 2, and between models with odd and even p's. Quantum chaos in these models is characterized in both kinematic and dynamic signatures. For the latter, we show numerically that the growth rate of the out-of-time-order correlator is dictated by the classical Lyapunov exponent. Finally, we argue that the classification of these models constructed in the classical system applies to the quantum system as well.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Single Cell RNA-Seq and Machine Learning Reveal Novel Subpopulations in Low-Grade Inflammatory Monocytes With Unique Regulatory Circuits

Subclinical doses of LPS (SD-LPS) are known to cause low-grade inflammatory activation of monocytes, which could lead to inflammatory diseases including atherosclerosis and metabolic syndrome. Sodium 4-phenylbutyrate is a potential therapeutic compound which can reduce the inflammation caused by SD-LPS. To understand the gene regulatory networks of these processes, we have generated scRNA-seq data from mouse monocytes treated with these compounds and identified 11 novel cell clusters. We have developed a machine learning method to integrate scRNA-seq, ATAC-seq, and binding motifs to characterize gene regulatory networks underlying these cell clusters. Using guided regularized random forest and feature selection, our method achieved high performance and outperformed a traditional enrichment-based method in selecting candidate regulatory genes. Our method is particularly efficient in selecting a few candidate genes to explain observed expression pattern. In particular, among 531 candidate TFs, our method achieves an auROC of 0.961 with only 10 motifs. Finally, we found two novel subpopulations of monocyte cells in response to SD-LPS and we confirmed our analysis using independent flow cytometry experiments. Our results suggest that our new machine learning method can select candidate regulatory genes as potential targets for developing new therapeutics against low grade inflammation.

60 APPLIED LIFE SCIENCES↗
NASA NTRS1992

A unified perturbation expansion for surface scattering

Starting with the extinction theorem, a perturbation expansion which, to first and second orders, converges over a wider domain than the small perturbation expansion and the momentum transfer expansion is presented. It is shown that, in the appropriate limits, both of these theories, as well as the two-scale expansion, are recovered. There is no adjustable parameter, such as a spectral split, in the theory. This theory is applied to random rough surfaces and derive analytic expressions for the coherent field and the bistatic cross section. Finally, a numerical test of the theory against method of moments results for Gaussian random rough surfaces with a power law spectrum is given. These results show that the expansion is ramarkably accurate over a large range of surface heights and slopes for both horizontal and vertical polarization.

Rodriguez, Ernesto↗
NASA NTRS1974

Random-access technique for modular bathymetry data storage in a continental shelf wave refraction program

A study was conducted of an alternate method for storage and use of bathymetry data in the Langley Research Center and Virginia Institute of Marine Science mid-Atlantic continental-shelf wave-refraction computer program. The regional bathymetry array was divided into 105 indexed modules which can be read individually into memory in a nonsequential manner from a peripheral file using special random-access subroutines. In running a sample refraction case, a 75-percent decrease in program field length was achieved by using the random-access storage method in comparison with the conventional method of total regional array storage. This field-length decrease was accompanied by a comparative 5-percent increase in central processing time and a 477-percent increase in the number of operating-system calls. A comparative Langley Research Center computer system cost savings of 68 percent was achieved by using the random-access storage method.

Poole, L. R.↗
DOE OSTI2023

Computing rank‐revealing factorizations of matrices stored out‐of‐core

This paper describes efficient algorithms for computing rank-revealing factorizations of matrices that are too large to fit in main memory (RAM), and must instead be stored on slow external memory devices such as disks (out-of-core or out-of-memory). Traditional algorithms for computing rank-revealing factorizations (such as the column pivoted QR factorization and the singular value decomposition) are very communication intensive as they require many vector-vector and matrix-vector operations, which become prohibitively expensive when data is not in RAM. Randomization allows to reformulate new methods so that large contiguous blocks of the matrix are processed in bulk. The paper describes two distinct methods. The first is a blocked version of column pivoted Householder QR, organized as a “left-looking” method to minimize the number of the expensive write operations. The second method results employs a UTV factorization. It is organized as an algorithm-by-blocks to overlap computations and I/O operations. As it incorporates power iterations, it is much better at revealing the numerical rank. Numerical experiments on several computers demonstrate that the new algorithms are almost as fast when processing data stored on slow memory devices as traditional algorithms are for data stored in RAM.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Wave Measurements Using Multi-Frame Processing of Marine Radar Data

Marine radars have proven to be useful for measuring ocean waves, but the accuracy of the measurements is limited by several factors including the look-angle dependence of the radar signals as well as noise in the radar data. The look-angle dependence introduces a systematic error or bias in the measurements, and noise causes a random error. This paper describes a method of combining data from multiple radar frames that is optimal in the sense of minimizing the error for a set of biased measurements with random additive noise. The results are shown experimentally to increase the correlation of the radar estimates with buoy measurements.

47 OTHER INSTRUMENTATION↗
NASA NTRS1990

Acoustic fatigue life prediction for nonlinear structures with multiple resonant modes

An efficient method is presented for estimating the high-cycle fatigue lives of complex nonlinear structures. The procedure is based on an application of the method of equivalent linearization to construct a time-domain representation of the stress or strain response of a nonlinear structure. Fatigue estimates are obtained by processing the time-domain signal, and it is a simple matter to incorporate any damage accumulation model desired in the procedure. The method may also be applied to a wide range of complex nonlinear systems. Comparisons are presented of estimated fatigue lives for a nonlinear beam with random excitation obtained using the approximate method and using a conventional numerical simulation. The two techniques are found to give nearly identical results regardless of the level of nonlinearity. The number of calculations required in the approximate method is nearly the same as in a linear system and is not significantly affected by the type and level of nonlinearity in the structure.

Sun, J. Q.↗
NASA NTRS1984

Large deflection, large amplitude vibrations and random response of symmetrically laminated rectangular plates

An analytical method is presented for determining large-deflection static bending, large-amplitude free and forced vibrations, and large-amplitude random response of a clamped, symmetrically laminated, rectangular, thin plate subjected to a uniformly distributed transverse loading. Both movable and immovable inplane boundary conditions are considered. Numerical results for bending deflections and strains, frequency ratios, mean-square center deflections and mean-square maximum strains are presented showing the parametric effects of plate length-to-width ratio, orientation of layers, and intensities of applied force for both the linear and nonlinear cases. The analytical results for large-deflection random response are verified through comparison with experimental data.

Gray, C. E., Jr.↗