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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Evaluating the effect of internal aperture variability on transport in kilometer scale discrete fracture networks

The apertures of natural fractures in fractured rock are highly heterogeneous. However, in-fracture aperture variability is often neglected in flow and transport modeling and individual fractures are assumed to have uniform aperture distribution. The relative importance of in-fracture variability in flow and transport modeling within kilometer18 scale field–scale fracture networks has been under a matter of debate for a long time because the flow in each single fracture is controlled not only by in-fracture variability but also by boundary conditions. Computational limitations have previously prohibited researchers from investigating the relative importance of in-fracture variability in flow and transport modeling within large-scale fracture networks. We address this question by incorporating internal heterogeneity of individual fractures into 23 flow simulations within kilometer scale three-dimensional fracture networks, where fracture intensity, P32 (ratio between total fracture area and domain volume) is between 0.027 and 0.031 [1/m]. A recently developed discrete fracture network (DFN) simulation capability, dfnWorks, is used to generate DFNs that include in-fracture aperture variability represented by a stationary log-normal stochastic field with various correlation lengths and variances. The Lagrangian transport parameters, non-reacting travel time and cumulative retention, are calculated along particles streamlines. It is observed that due to local flow channeling early particle travel times are more sensitive to in-fracture variability than the tails of travel time distributions, where no significant effect of the in-fracture transmissivity variations and spatial correlation length is observed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Characterizing the Influence of Fracture Density on Network Scale Transport

The topology of natural fracture networks is inherently linked to the structure of the fluid velocity field and transport therein. Here we study the impact of network density on flow and transport behaviors. We stochastically generate fracture networks of varying density and simulate flow and transport with a discrete fracture network model, which fully resolves network topology at the fracture scale. We study conservative solute trajectories with Lagrangian particle tracking and find that as fracture density decreases, solute channelization to large local fractures increases, thereby reducing plume spreading. Furthermore, in sparse networks mean particle travel distance increases and local network features, such as velocity zones where flow is counter to the primary pressure gradient, become increasingly important for transport. As the network density increases, network statistics homogenize and such local features have a reduced impact. We quantify local topological influence on transport behavior with an effective tortuosity parameter, which measures the ratio of total advective distance to linear distance at the fracture scale; large tortuosity values are correlated to slow-velocity regions. Additionally, these large tortuosity, slow-velocity regions delay downstream transport and enhance tailing on particle breakthrough curves. Finally, we predict transport with an upscaled, Bernoulli spatial Markov random walk model and parameterize local topological influences with a novel tortuosity parameter. Furthermore, Bernoulli model predictions improve when sampling from a tortuosity distribution, as opposed to a fixed value as has previously been done, suggesting that local network topological features must be carefully considered in upscaled modeling efforts of fracture network systems.

58 GEOSCIENCES↗
DOE OSTI2018

Predicting the 3D fatigue crack growth rate of small cracks using multimodal data via Bayesian networks: In-situ experiments and crystal plasticity simulations

Small crack propagation accounts for most of the fatigue life of engineering structures subject to high cycle fatigue loading conditions. Determining the fatigue crack growth rate of small cracks propagating into polycrystalline engineering alloys is critical to improving fatigue life predictions, thus lowering cost and increasing safety. In this work, cycle-by-cycle data of a small crack propagating in a beta metastable titanium alloy is available via phase and diffraction contrast tomography. Crystal plasticity simulations are used to supplement experimental data regarding the micromechanical fields ahead of the crack tip. Experimental and numerical results are combined into a multimodal dataset and sampled utilizing a non-local data mining procedure. Furthermore, to capture the propensity of body-centered cubic metals to deform according to the pencil-glide model, a non-local driving force is postulated. The proposed driving force serves as the basis to construct a data-driven probabilistic crack propagation framework using Bayesian networks as building blocks. The spatial correlation between the postulated driving force and experimental observations is obtained by analyzing the results of the proposed framework. Results show that the above correlation increases proportionally to the distance from the crack front until the edge of the plastic zone. Moreover, the predictions of the propagation framework show good agreement with experimental observations. Finally, we studied the interaction of a small crack with grain boundaries (GBs) utilizing various slip transmission criteria, revealing the tendency of a crack to cross a GB by propagating along the slip directions minimizing the residual Burgers vector within the GB.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A PEPS Plugin for TNQVM

This work introduces an extension to the Tensor Network Quantum Virtual Machine (TNQVM) tool, enhancing the existing stack of ExaScale Tensor Network (ExaTN), ExaScale Accelerator (XACC), and TNQVM. It features a new plugin that enables efficient simulation of a Projected Entangled Pair State (PEPS), a 2D tensor network. To improve simulation efficiency for PEPS, we have implemented the snake boundary contraction algorithm. By integrating this capability into the existing stack, we enhance the overall functionality and versatility of the framework. We tested this new PEPS topology for a simple GHZ bell-pair generation quantum circuit and saw that its runtime is very close to that of the MPS topology. We estimate that the real potential of the PEPS topology becomes discernible when quantum circuits with multidimensional entanglement are simulated using tensor networks. In such cases, 1D tensor networks fail to represent or contract them efficiently.

Chundury, Srikar↗
DOE OSTI2021

Power System Network Reduction for Power Hardware-in-the-Loop Simulation: Preprint

This paper proposes a single-port equivalent and a two-port equivalent to respectively reduce single-port and two-port areas in a large power network. Parameters of the reduced systems are rigorously derived, which guarantees that the electrical quantities at the port remain unchanged over the reduction, including voltage magnitude and phase, active and reactive power injections into the area to be reduced. The proposed techniques are applied to reduce a practical Maui grid, where the total numbers of buses, lines and transformers are respectively reduced from 212, 106 and 108 to 45, 30 and 13. Dynamic behaviors between the full model and the reduced model are compared in detail to illustrate the efficacy and accuracy of the proposed network reduction.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2019

Finding high-redshift strong lenses in DES using convolutional neural networks

We search Dark Energy Survey (DES) Year 3 imaging data for galaxy-galaxy strong gravitational lenses using convolutional neural networks. We generate 250 000 simulated lenses at redshifts > 0.8 from which we create a data set for training the neural networks with realistic seeing, sky and shot noise. Using the simulations as a guide, we build a catalogue of 1.1 million DES sources with 1.8 < g - i < 5, 0.6 < g - r < 3, r_mag > 19, g_mag > 20, and i_mag > 18.2. We train two ensembles of neural networks on training sets consisting of simulated lenses, simulated non-lenses, and real sources. We use the neural networks to score images of each of the sources in our catalogue with a value from 0 to 1, and select those with scores greater than a chosen threshold for visual inspection, resulting in a candidate set of 7301 galaxies. During visual inspection, we rate 84 as 'probably' or 'definitely' lenses. Four of these are previously known lenses or lens candidates. We inspect a further 9428 candidates with a different score threshold, and identify four new candidates. We present 84 new strong lens candidates, selected after a few hours of visual inspection by astronomers. This catalogue contains a comparable number of high-redshift lenses to that predicted by simulations. Based on simulations, we estimate our sample to contain most discoverable lenses in this imaging and at this redshift range.

Jacobs, C.↗
DOE OSTI2017

Software-defined Quantum Networking Ecosystem

The software enables a user to perform modeling and simulation of software-defined quantum networks. The software addresses the problem of how to synchronize transmission of quantum and classical signals through multi-node networks and to demonstrate quantum information protocols such as quantum teleportation. The software approaches this problem by generating a graphical model of the underlying network and attributing properties to each node and link in the graph. The graphical model is then simulated using a combination of discrete-event simulators to calculate the expected state of each node and link in the graph at a future time. A user interacts with the software by providing an initial network model and instantiating methods for the nodes to transmit information with each other. This includes writing application scripts in python that make use of the software library interfaces. A user then initiates the application scripts, which invokes the software simulation. The user then uses the built-in diagnostic tools to query the state of the simulation and to collect statistics on synchronization.

Humble, Travis S.↗
DOE OSTI2026

Nonlocal Effect of Percolated Particle Networks on Viscoelasticity of Polymer–Filler Nanocomposites: A Mesoscale Simulation Study

With nanoparticles (NPs) as fillers, polymer nanocomposites (PNCs) usually exhibit enhanced mechanical properties. However, a direct connection between the microscopic structural relaxation and macroscopic mechanical properties of PNCs remains to be established. To investigate the micro-to-macro connection, we develop a mesoscale model, in which the NPbridging polymer chains are represented by a dynamic bonded interaction between NPs, and the bulk polymer matrix is implicitly modeled by overdamped Langevin dynamics. Extensive equilibrium simulations are performed to quantify the microscopic dynamics of model PNCs. Systematic analyses of modified Rouse dynamics, dynamic structure factor, and relaxation modulus uncover that the microscopic relaxation dynamics of PNCs are significantly decelerated across different length scales because of nonlocal effects of percolated particle networks a phenomenon that has not been adequately captured in prior simulation studies. We find that NPvolume- fraction and NP-bonding-energy barrier are the two critical variables that affect bulk viscoelasticity the most. The proposed mesoscale model is versatile and provides a powerful framework for studying structure−property relations of different PNCs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Identification of NPP transients using artificial intelligence - 335

If the accidents happen in nuclear power plants (NPPs), the NPP operators identify the transients through observing the behaviors of the major parameters. However, the integrity of the instrumentation signals is not ensured under the accident circumstances and the major parameters essential in identifying the transients can rapidly change although the instruments generate accurate signals. Thus, to successfully control the accidents by taking necessary measures relatively faster, it is very important to provide the operators with the information that can identify the transients and accidents accurately. In this study, the transients of severe accidents in NPPs are identified and classified using artificial intelligence methodologies. Several transients are identified using support vector classification (SVC) and probabilistic neural network (PNN) as artificial intelligence methodologies. The used data for the transients are the simulation data using the modular accident analysis program (MAAP) code for the optimized power reactors (OPR1000s). The time-integrated values of chosen simulated sensor signals are used as the input variables for identifying the transients. As a result of this study, the proposed models identified the transients quite precisely. Therefore, the quite accurate identification of the transients indicates the excellence of these artificial intelligence methods and they will produce useful supporting information for the operators even under extreme transient circumstances in NPPs. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2014

Solar photospheric network properties and their cycle variation

We present a numerical simulation of the formation and evolution of the solar photospheric magnetic network over a full solar cycle. The model exhibits realistic behavior as it produces large, unipolar concentrations of flux in the polar caps, a power-law flux distribution with index –1.69, a flux replacement timescale of 19.3 hr, and supergranule diameters of 20 Mm. The polar behavior is especially telling of model accuracy, as it results from lower-latitude activity, and accumulates the residues of any potential modeling inaccuracy and oversimplification. In this case, the main oversimplification is the absence of a polar sink for the flux, causing an amount of polar cap unsigned flux larger than expected by almost one order of magnitude. Nonetheless, our simulated polar caps carry the proper signed flux and dipole moment, and also show a spatial distribution of flux in good qualitative agreement with recent high-latitude magnetographic observations by Hinode. After the last cycle emergence, the simulation is extended until the network has recovered its quiet Sun initial condition. This permits an estimate of the network relaxation time toward the baseline state characterizing extended periods of suppressed activity, such as the Maunder Grand Minimum. Our simulation results indicate a network relaxation time of 2.9 yr, setting 2011 October as the soonest the time after which the last solar activity minimum could have qualified as a Maunder-type Minimum. This suggests that photospheric magnetism did not reach its baseline state during the recent extended minimum between cycles 23 and 24.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Benchmarking a Tunable Quantum Neural Network on Trapped-Ion and Superconducting Hardware

We implement a quantum generalization of a neural network on trapped-ion and IBM superconducting quantum computers to classify MNIST images, a common benchmark in computer vision. The network feedforward involves qubit rotations whose angles depend on the results of measurements in the previous layer. The network is trained via simulation, but inference is performed experimentally on quantum hardware. The classical-to-quantum correspondence is controlled by an interpolation parameter, $a$, which is zero in the classical limit. Increasing $a$ introduces quantum uncertainty into the measurements, which is shown to improve network performance at moderate values of the interpolation parameter. We then focus on particular images that fail to be classified by a classical neural network but are detected correctly in the quantum network. For such borderline cases, we observe strong deviations from the simulated behavior. We attribute this to physical noise, which causes the output to fluctuate between nearby minima of the classification energy landscape. Such strong sensitivity to physical noise is absent for clear images. We further benchmark physical noise by inserting additional single-qubit and two-qubit gate pairs into the neural network circuits. Our work provides a springboard toward more complex quantum neural networks on current devices: while the approach is rooted in standard classical machine learning, scaling up such networks may prove classically non-simulable and could offer a route to near-term quantum advantage.

FOS: Physical sciences↗
DOE OSTI2023

Enhanced Large-Signal Stability Method for Grid-Forming Inverters During Current Limiting: Preprint

Grid-forming (GFM) inverters are a promising technology for the widespread integration of renewable energy sources in future power systems. As a key element of GFM inverter control, the primary controller governs the internal reference voltage and angle. During contingencies in the grid---such as faults, voltage drops, or frequency and phase jumps---an inverter can be forced into a current-limiting mode of operation modulating inverter dynamics, and, as a result, it is prone to losing synchronism with the grid. In this paper, we propose a novel GFM primary control method with an additional synchronization term that naturally activates during contingencies to improve the dynamic response. The method allows the inverter to remain synchronized with the grid, which improves the inverter's dynamic behavior both during and after current-limiting grid conditions and enhances grid support, including voltage support using full current capacity. The method is demonstrated for voltage, frequency, and phase jumps both in a single-machine-to-infinite-bus and a network-wide electromagnetic transient simulation of the IEEE 14-bus system with 5 GFM inverters. The simulations provide insights into the proposed synchronization method and confirm the high potential of the method, which robustly secures synchronism under severe contingencies.

current limiting↗
DOE OSTI2012

THE X-FACTOR IN GALAXIES. II. THE MOLECULAR-HYDROGEN-STAR-FORMATION RELATION

There is ample observational evidence that the star formation rate (SFR) surface density, {Sigma}{sub SFR}, is closely correlated with the surface density of molecular hydrogen, {Sigma}{sub H{sub 2}}. This empirical relation holds both for galaxy-wide averages and for individual {approx}>kpc sized patches of the interstellar medium, but appears to degrade substantially at a sub-kpc scale. Identifying the physical mechanisms that determine the scale-dependent properties of the observed {Sigma}{sub H{sub 2}}-{Sigma}{sub SFR} relation using a set of cosmological, galaxy formation simulations with a peak resolution of {approx}100 pc. These simulations include a chemical network for molecular hydrogen, a model for the CO emission, and a simple, stochastic prescription for star formation that operates on {approx}100 pc scales. Specifically, star formation is modeled as a Poisson process in which the average SFR is directly proportional to the present mass of H{sub 2}. The predictions of our numerical model are in good agreement with the observed Kennicutt-Schmidt and {Sigma}{sub H{sub 2}}-{Sigma}{sub SFR} relations. We show that observations based on CO emission are ill suited to reliably measure the slope of the latter relation at low ({approx}< 20 M {sub Sun} pc{sup -2}) H{sub 2} surface densities on sub-kpc scales. Our models also predict that the inferred {Sigma}{sub H{sub 2}}-{Sigma}{sub SFR} relation steepens at high H{sub 2} surface densities as a result of the surface density dependence of the CO/H{sub 2} conversion factor. Finally, we show that on sub-kpc scales most of the scatter of the relation is a consequence of discreteness effects of the star formation process. In contrast, variations of the CO/H{sub 2} conversion factor are responsible for most of the scatter measured on super-kpc scales.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A Parallel Computing Infrastructure for Building Energy Simulation

In order to study grid-interactive efficient buildings, Pacific Northwest National Laboratories (PNNL) needs an infrastructure for urban-scale building energy modeling. Such an infrastructure should be fast, scalable, and easy-to-use. Given a set of data from the Energy Information Administration’s Commercial Building Energy Consumption Survey (CBECS) and tool to translate survey data into simulation inputs, this project aimed to conduct the simulation of the entire dataset in parallel. Before running the simulations, the necessary software was bundled into a container for use on the PNNL supercomputing network. Then, the parallel simulation workflow was designed using GNU Make, a file creation software, and submitted to a supercomputing partition which could run hundreds of simulations simultaneously. The EnergyPlus simulations output hourly electric meter data for each CBECS sample, which represents the electricity consumption of similar commercial buildings across the United States. Analyzing and visualizing the meter data is important to the future of the work, and this project wrote code to make common analysis methods simple, fast, and accessible. Moving forwards, the model will need to be expanded to include data from other sources and its accuracy will need to be improved and eventually validated.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Application of Machine Learning Techniques to an Agent-Based Model of Pantoea

Agent-based modeling (ABM) is a powerful simulation technique which describes a complex dynamic system based on its interacting constituent entities. While the flexibility of ABM enables broad application, the complexity of real-world models demands intensive computing resources and computational time; however, a metamodel may be constructed to gain insight at less computational expense. Here, we developed a model in NetLogo to describe the growth of a microbial population consisting of Pantoea . We applied 13 parameters that defined the model and actively changed seven of the parameters to modulate the evolution of the population curve in response to these changes. We efficiently performed more than 3,000 simulations using a Python wrapper, NL4Py . Upon evaluation of the correlation between the active parameters and outputs by random forest regression, we found that the parameters which define the depth of medium and glucose concentration affect the population curves significantly. Subsequently, we constructed a metamodel, a dense neural network, to predict the simulation outputs from the active parameters and found that it achieves high prediction accuracy, reaching an R 2 coefficient of determination value up to 0.92. Our approach of using a combination of ABM with random forest regression and neural network reduces the number of required ABM simulations. The simplified and refined metamodels may provide insights into the complex dynamic system before their transition to more sophisticated models that run on high-performance computing systems. The ultimate goal is to build a bridge between simulation and experiment, allowing model validation by comparing the simulated data to experimental data in microbiology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Symplectic neural network and its application to charged particle dynamics in electromagnetic fields

Recently, machine learning models have shown many successes in various applications in science and technology. In this work, we focus on the charged particle dynamics, with the development of a class of symplectic neural networks, including a linear version, SympMat, and a nonlinear version, HénonNet. Both are designed to preserve the structure of Hamiltonian systems. We show that they can be used to model relevant Hamiltonian systems of interest in plasma physics and astrophysics, for linear and nonlinear charged particle dynamics, with the potential to bridge multi-scale simulations. These symplectic neural networks are adapted to the applications in plasma simulations and particle-wave interaction with parametric dependence and periodicity, where we have investigated their performance and accuracy. In particular, SympMat is shown to outperform the traditional Boris particle pusher down to the sub-gyroperiod scale in the case of charged particles in uniform magnetic fields. HénonNet successfully predicts the hot electron distribution, which is validated against theoretical results. These results highlight the potential of symplectic neural networks as a trajectory integrator for particle-in-cell simulations or a fast surrogate to replace conventional numerical schemes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗