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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Proton spin structure and generalized polarizabilities in the strong quantum chromodynamics regime

The strong interaction is not well understood at low energies or for interactions with low momentum transfer. Chiral perturbation theory gives testable predictions for the nucleonic generalized polarizabilities, which are fundamental quantities describing the nucleon’s response to an external field. We report a measurement of the proton’s generalized spin polarizabilities extracted with a polarized electron beam and a polarized solid ammonia target in the region where chiral perturbation theory is expected to be valid. The investigated structure function g2 characterizes the internal spin structure of the proton. From its moments, we extract the longitudinal–transverse spin polarizability δLT and twist-3 matrix element and polarizability d2¯. Our results provide discriminating power between existing chiral perturbation theory calculations and will help provide a better understanding of this strong quantum chromodynamics regime.

Ruth, D↗
DOE OSTI2018

Constraints on higher spin CFT 2

We derive constraints on two-dimensional conformal field theories with higher spin symmetry due to unitarity, modular invariance, and causality. We focus on CFTs with W N symmetry in the “irrational” regime, where c > N – 1 and the theories have an infinite number of higher-spin primaries. The most powerful constraints come from positivity of the Kac matrix, which (unlike the Virasoro case) is non-trivial even when c > N – 1. This places a lower bound on the dimension of any non-vacuum higher-spin primary state, which is linear in the central charge. At large c, this implies that the dual holographic theories of gravity in AdS 3 , if they exist, have no local, perturbative degrees of freedom in the semi-classical limit.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Thermal conductivity evaluation of ion irradiated Si 3 N 4 and ZrN ceramics using spatial domain thermoreflectance

Nitride ceramics have been investigated for different applications in the nuclear industry, such as space nuclear power, fusion reactor diagnostics and plasma heating, inert matrix fuels, and accident tolerant fuels. Although thermal conductivity remains one of the most important properties to track following irradiation, traditional techniques such as laser flash and xenon flash are limited to bulk sample characterization, which requires lengthy and cost-consuming neutron irradiation. This work used spatial domain thermoreflectance (SDTR) for the micrometer-scale measurement of thermal conductivity in 15 MeV Ni ion-irradiated silicon nitride and zirconium nitride from 1 to 50 dpa and 300 to 700 °C. Here, the SDTR-measured unirradiated thermal conductivity was found to be consistent with the published data on bulk samples. Electrically conductive ZrN exhibits modest reduction after irradiation which is minimal at the highest irradiation temperatures. In electrically insulating Si 3 N 4 , the reduction is more significant and unlike ZrN, the reduction remains significant even at a higher irradiation temperature. The thermal resistance evolution following irradiation was compared with lattice swelling, which was determined using grazing incidence x-ray diffraction, and radiation-induced defects were observed using transmission electron microscopy. A saturation value was observed between 15 and 50 dpa for thermal conductivity degradation in both nitride ceramics and a direct correlation with high-temperature defect recombination was observed, as well as the potential presence of additional carrier scattering mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

A neural network for determination of latent dimensionality in Nonnegative Matrix Factorization

Non-negative Matrix Factorization (NMF) has proven to be a powerful unsupervised learning method for uncovering hidden features in complex and noisy datasets with applications in data mining, text recognition, dimension reduction, face recognition, anomaly detection, blind source separation, and many other fields. An important input for NMF is the latent dimensionality of the data, that is, the number of hidden features, K, present in the explored dataset. Unfortunately, and this quantity is rarely known a priori. The existing methods for determining latent dimensionality, such as Automatic Relevance Determination (ARD), are mostly heuristic and utilize different characteristics to estimate the number of hidden features. However, all of them require human presence to make a final determination of K. Here we utilize a supervised machine learning approach in combination with a recent method for model determination, called NMFk, to determine the number of hidden features automatically. NMFk performs a set of NMF simulations on an ensemble of matrices, obtained by bootstrapping the initial dataset, and estimates which K produces stable groups of latent features that reconstruct the initial dataset well. We then train a Multi-Layter Perceptron (MLP) classifier network to determine the correct number of latent features utilizing the statistics and characteristics of the NMF solution, obtained from NMFk. In order to train the MLP classifier, a training set of 58,660 matrices with predetermined latent features were factorized with NMFk. The MLP classifier in conjunction with NMFk maintains a greater than 95% success rate when applied to a held out test set. Additionally, when applied to two well-known benchmark datasets, the swimmer and MIT face data, NMFk/MLP correctly recovers the established number of hidden features. Finally, we compare the accuracy of our method to the ARD, AIC and Stability-based methods.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Intermediate scattering potential strength in electron-irradiated YBa 2 Cu 3 O 7-δ from London penetration depth measurements

Temperature-dependent London penetration depth, λ(T), of a high quality optimally-doped YBa 2 Cu 3 O 7-δ single crystal was measured using tunnel-diode-resonator technique. Controlled artificial disorder was induced by low-temperature 20 K irradiation by 2.5 MeV electrons at two large doses of 3.8 x 10 19 and 5.3 x 10 19 electrons per cm 2 . The irradiation caused significant suppression of the superconductor's critical temperature, T c , from 94.6 K to 90.0 K, and to 78.7 K, respectively. The low-temperature behavior of λ(T) evolves from a T-linear in pristine state to a T 2 behavior after irradiation, expected for a line-nodal d-wave superconductor. However, the original theory that explained such behavior assumed a unitary limit of the scattering potential, whereas usually in normal metals and semiconductors, Born scattering is sufficient to describe the experiment. To estimate the scattering potential strength, we calculated the superfluid density, ρ s (t = T/T c ) = λ 2 (0)/λ 2 (T), varying the amount and strength of non-magnetic scattering using a self-consistent t-matrix theory. Fitting the obtained curves to a power law, ρ s = 1 - Rt n , and to a polynomial, ρ s = 1 - At - Bt 2 , and comparing the coefficients n in one set and A and B in another with the experimental values, we estimate the phase shift to be around 70 and 65°, respectively. We correlate this result with the evolution of the density of states with nonmagnetic disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Power counting to saturation

We present a description of saturation in small 𝑥 deep inelastic scattering from power counting in a top-down effective theory derived from quantum chromodynamics (QCD). A factorization formula isolates the universal physics of the nucleus at leading power in 𝑥. The onset of saturation is then understood as a breakdown in the expansion in an emergent power counting parameter, which is defined by the matrix element of a gauge invariant operator. We identify a new radiation mode, which enables us to extend previous literature by distinguishing the appearance of the saturation scale from the transition to nonlinear evolution.

Astronomy & Astrophysics↗
DOE OSTI2026

A Flexible Forwarding Scheme to Improve Latency-Bound Irregular P2P Communication in MPI

We propose an algorithm to efficiently perform latency-bound communication scenarios that consist of many small messages. In these parallel scenarios, processes typically pass around a lot of small-sized messages of a few KBs of size. Performing communication operations with P2P MPI routines or collective MPI routines (including neighborhood collectives) in such scenarios may not always yield the optimal results and may not resolve the latency bottleneck. To this end, we develop a regular structure called virtual process topology (VPT) on which the messages can be communicated in a structured and controlled manner. Using parameters of this topology, one can tune the rate of aggression in tackling the latency costs. We demonstrate that our communication algorithm is preferable to MPI P2P and collective routines for latency-bound communication and it can easily be adapted only by replacing calls to MPI routines in a parallel application. We show how to adapt existing topology-aware mapping heuristics to address the volume overhead due to communicating messages on the VPT. Moreover, we propose a novel swap-based mapping heuristic to address this overhead by optimizing the maximum volume handled by a process. Experiments on synthetic communication graphs as well as real-world applications such as parallel Canonical Polyadic sparse tensor decomposition and parallel sparse matrix-dense matrix multiplication show that our approach is a powerful way of overcoming the bottlenecks posed by sparse and latency-bound irregular communication.

communication algorithm↗
NASA NTRS1985

Convergence acceleration of iterative solutions of Euler equations for transonic flow computations

In this paper, two acceleration techniques for Euler calculations are investigated. The first technique is an extrapolation procedure based on the Power Method; it is applicable when the iterative matrix has dominant eigenvalues. Both real and complex conjugate roots are allowed. The second technique is a generalization of the Minimal Residual Method, where the extrapolation step consists of a weighted combination of the corrections at different iteration levels and the weights are chosen to minimize the Lz norm of the residual. Numerical results, using Jameson's Runge-Kutta Multigrid Code, are presented. The extra computational work to apply either technique is negligible and the extra storage is not a problem on current supercomputers.

Hafez, M.↗
NASA NTRS1990

The effect of laser pulse tailored welding of Inconel 718

Pulse tailored laser welding has been applied to wrought, wrought grain grown, and cast Inconel 718 using a CO2 laser. Prior to welding, the material was characterized metallographically and the solid state transformation regions were identified using Differential Scanning Calorimetry and high temperature x-ray diffraction. Bead on plate welds (restrained and unrestrained) were then produced using a matrix of pulse duty cycles and pulsed average power. Subsequent characterization included heat affected zone width, penetration and underbead width, the presence of cracks, microfissures and porosity, fusion zone curvature, and precipitation and liquated region width. Pedigree welding on three selected processing conditions was shown by microstructural and dye penetrant analysis to produce no microfissures, a result which strongly indicates the viability of pulse tailored welding for microfissure free IN 718.

Mccay, T. Dwayne↗
DOE OSTI2022

Assessing Cybersecurity Resilience of Distributed Ledger Technology in Energy Sector Using the MITRE ATT&CK® ICS Framework

Digitization in the power industry enables wide connectivity among multiple new entrants such as DERs, prosumers, and P2P counterparts within or outside the Distributed Ledger Technology (DLT). The use of DLT to improve resilience in the power grid has growing support, but new technology provides new opportunities for adversaries to cause harm. This work completed by the Cybersecurity- focused task force of IEEE SA P2418.5 evaluates the potential risks by applying the MITRE ATT&CK® ICS matrix to the DLT Engineering and Cybersecurity Stack designed for power systems applications

Gourisetti, Sri Nikhil Gupta↗
DOE OSTI2024

Simple and Robust Carrier-Based PWM Technique for Single-Stage Three-phase Rectifier Indirect Matrix Converter

Indirect matrix converters (IMC) can offer high efficiency, high power density, and bidirectional power flow capability with a single-stage three-to single-phase AC-AC power conversion integrating a conventional three-phase active rectifier with a primary side full-bridge inverter of a dual active bridge converter. However, the IMCs generally require space vector modulation techniques, leading to complex sectors and dwell times calculations. A practical implementation of the modulation methods with a commonly used digital signal processor becomes even more challenging when considering power factor correction, harmonics reduction, and deadtime between sector transitions. This paper proposes a simple and robust carrier-based pulse width modulation (PWM) technique determined through a voltage-source inverter (VSI) to current-source inverter (CSI) to IMC conversion. This translation enables the adoption of all conventional VSI control methods with active and reactive power control in the IMCs through simple carrier and reference waveform comparison. The VSI vectors are first one-on-one matched with CSI vectors and translated to IMC modulation signals without calculating sectors and dwell times. Nine different carrier waveforms are proposed, and the converter performance is analyzed. Grid current THD and efficiency are estimated for each modulation method. The symmetric A and B methods had the lowest THD of the grid current, 2.80%, and the efficiency remained at approximately 98.3%, making it the most suitable carrier-based method proposed in this paper. The space vector PWM (SVPWM) modulation method was implemented to the DSP and generated the expected twelve gate signals.

Benson, Mikayla↗
DOE OSTI2019

EMUlator: An Elementary Metabolite Unit (EMU) Based Isotope Simulator Enabled by Adjacency Matrix

Stable isotope based metabolic flux analysis is currently the unique methodology that allows the experimental study of the integrated responses of metabolic networks. This method primarily relies on isotope labeling and modeling, which could be a challenge in both experimental and computational biology. Specifically, the algorithm implementation for isotope simulation is a critical step, limiting extensive usage of this powerful approach. In this work, we introduce EMUlator a Python-based isotope simulator which is developed on Elementary Metabolite Unit (EMU) algorithm, an efficient and powerful algorithm for isotope modeling. We propose a novel adjacency matrix method to implement EMU modeling and exemplify it stepwise. This method is intuitively straightforward and can be conveniently mastered for various customized purposes. We apply this arithmetic pipeline to understand the phosphoketolase flux in the metabolic network of an industrial microbe Clostridium acetobutylicum . The resulting design enables a high-throughput and non-invasive approach for estimating phosphoketolase flux in vivo . Our computational insights allow the systematic design and prediction of isotope-based metabolic models and yield a comprehensive understanding of their limitations and potentials.

09 BIOMASS FUELS↗
DOE OSTI2019

Nonadiabatic molecular dynamics with decoherence and detailed balance under a density matrix ensemble formalism

The mixed quantum-classical nonadiabatic molecular dynamics (NAMD) is a powerful tool to study many phenomena, especially ultrafast carrier transport and cooling. Carrier decoherence and detailed balance are two major issues in NAMD. So far, there is no computationally inexpensive approach to incorporate both effects. While the decoherence effect can be easily included in the state density matrix formalism and the detailed balance can be included in surface hopping or the wave function collapse approach, it is difficult to include both of them in a unified formalism. In this work we introduce a state density matrix formalism (referred to as P-matrix) including both the decoherence and detailed balance effects for NAMD. This method is able to explicitly treat the decoherence between different pairs of adiabatic states. Moreover, the off-diagonal density matrix elements are divided into two parts, corresponding to energy-increasing and energy-decreasing transitions. The detailed balance is then enforced by a Boltzmann factor applied to the energy-increasing transition part. The P-matrix formalism is applied to study hot-hole cooling and transfer processes in Si quantum dot (QD) systems. The calculated hot-carrier relaxation time is consistent with experiments. In a QD-pair system, the hot-hole cooling time shows weak dependence on the QD spacing. However, the hot-carrier transfer rate from one QD to another is found to decrease exponentially with the QD-QD distance. When the QD spacing is small ( ~ 1 nm), the hot-carrier transfer can be very efficient. It is also shown that the explicit treatment of decoherence time is important in order to treat this hot-carrier transfer correctly.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1982

Numerical computation of exponential matrices using the Cayley-Hamilton theorem

A method for computing exponential matrices, which often arise naturally in the solution of systems of linear differential equations, is developed. An exponential matrix is generated as a linear combination of a finite number (equal to the matrix order) of matrices, the coefficients of which are scalar infinite sums. The method can be generalized to apply to any formal power series of matrices. Attention is focused upon the exponential function, and the matrix exponent is assumed tri-diagonal in form. In such cases, the terms in the coefficient infinite sums can be extracted, as recursion relations, from the characteristic polynomial of the matrix exponent. Two numerical examples are presented in some detail: (1) the three dimensional infinitesimal rotation rate matrix, which is skew symmetric, and (2) an N-dimensional tri-diagonal and symmetric finite difference matrix which arises in the numerical solution of the heat conduction partial differential equation. In the second example, the known eigenvalues and eigenvectors of the finite difference matrix permit an analytical solution for the exponential matrix, through the theory of diagonalization and similarity transformations, which is used for independent verification. The convergence properties of the scalar infinite summations are investigated for finite difference matrices of various orders up to ten, and it is found that the number of terms required for convergence increases slowly with the order of the matrix.

Walden, H.↗
NASA NTRS2020

Thermodynamic Cycle Analysis of Superadiabatic Matrix-Stabilized Combustion for Gas Turbine Engines

In aircraft propulsion as well as stationary power generation, gas turbine engines remain a key energy conversion technology due to their high thermal efficiencies and low emissions. However, as emission requirements become increasingly stringent, engine manufacturers have sought to design combustion systems that operate near the fuel-lean limit of flammability. In this study, superadiabatic matrix-stabilized combustion, also known as porous media combustion, is evaluated as an advanced combustion concept for extending the lean flammability limit to achieve improved efficiency and emissions. To this end, a Brayton cycle analysis is developed and key parameters of the porous matrix are identified for maximizing the extension of the lean flammability limit. It is shown that stabilization of combustion below the nominal lean flammability limit allows for the design of engines with significantly higher pressure ratios and lower dilution ratios without increasing turbine inlet temperatures, thus improving cycle thermal efficiency. Combustor flammability limits were shown to be extendable by up to 32% when employing matrix-stabilized combustion, resulting in thermal efficiency gains of up to 11% compared to a nominal design.

Superadiabatic combustion↗
DOE OSTI2024

Subhourly Clipping Correction Model Comparison

This work will compare the Allen method and Walker method of accounting for subhourly inverter clipping power losses in hourly PV performance models. The Allen method uses a matrix lookup based on DNI clearness and clipping potential to assign a clipping correction loss at each simulation timestep. The Walker method models the PV DC power input to the inverter as a distribution over the hourly timestep and uses integration over the timestep to determine the amount of clipping that occurs within the timestep. Both these models have been recently implemented in the System Advisor Model's (SAM) open-source code, and will be applied to hourly SURFRAD datasets to analyze the subhourly clipping loss predicted by each model for different system designs and inverter loading conditions. Both models will be compared to "true" 1-minute SURFRAD data simulations to see their accuracy against more accurate 1-minute clipping correction loss predictions. This model comparisons will be investigated in more detail at the PVSC conference in Seattle, Washington June 2024.

ENERGY PLANNING, POLICY, AND ECONOMY,MATHEMATICS A↗
DOE OSTI2024

Defect-engineered monolayer MoS 2 with enhanced memristive and synaptic functionality for neuromorphic computing

Two-dimensional transition metal dichalcogenides (TMDs)-based memristors are promising candidates for realizing artificial synapses in next-generation computing. However, practical implementation faces several challenges, such as high non-linearity and asymmetry in synaptic weight updates, limited dynamic range, and cycle-to-cycle variability. Here, utilizing optimal-power argon plasma treatment, we significantly enhance the performance matrix of memristors fabricated from monolayer MoS 2 . Our approach not only improves linearity and symmetry in synaptic weight updates but also increases the number of available synaptic weight updates and enhances Spike-Time Dependent Plasticity. Notably, it broadens the switching ratio by two orders, minimizes cycle-to-cycle variability, reduces non-linear factors, and achieves an energy consumption of ~30 fJ per synaptic event. Implementation of these enhancements is demonstrated through Artificial Neural Network simulations, yielding a learning accuracy of ~97% on the MNIST hand-written digits dataset. Our findings underscore the significance of defect engineering as a powerful tool in advancing the synaptic functionality of memristors.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Benefits of Sparse Tableau Over Nodal Admittance Formulation for Power-Flow Studies

Assembly of power-flow equations has traditionally begun from a nodal analysis formulation of the underlying transmission circuit's behavior. Most power-flow formulations encapsulate network constraints in the bus admittance matrix, Y bus . From a circuit perspective, this admittance representation restricts the network elements to be voltage controlled; resulting drawbacks treating zero-impedance branches in such applications as state estimation have long been recognized. This paper explores the advantages of the alternatives to Y bus -based formulations in power flow. It proposes a sparse tableau formulation (STF), and it demonstrates its computational efficiency, robustness, and generality in detailed comparison to traditional Y bus -based solution algorithms. In the examples of power networks ranging from 1888 to 82 000 buses, computational case studies indicate that STF provides comparable computational speed, while allowing simple treatment of zero-impedance branches and more reliably converging to solutions in many cases for which Y bus -based Newton algorithms diverge.

42 ENGINEERING↗