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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 199 records · Page 11
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Detailed mixing measurements from single-hole converging ECN injectors using Rayleigh scattering

Time resolved liquid and vapor fields of dodecane and oxymethylene ethers are measured from Spray A-3 and Spray D using high speed Rayleigh scattering and diffuse back illumination at the Engine Combustion Network (ECN) Spray A condition of 900 K and 22.8 kg/m 3 . Global quantities including mixture fraction, vapor and liquid penetration, as well as spreading angle are measured. The mixture fraction fields and vapor penetration profiles are well predicted by the 1-D Musculus-Kattke model. The mixture fraction field and vapor penetration from Spray A-3 are similar to those measured from Spray A in previous works. Spray D exhibits higher mixture fraction fields and vapor penetration due to its larger nozzle diameter. The quasi-steady mixture fraction fields from these injectors scale well when distance from the injector is normalized by the nozzle diameter. The turbulent dissipation structures were also analyzed based on the orientation, thickness, and magnitude of the mixing layers. Furthermore, the orientation and thickness are similar to other measurements in atmospheric gas jets, while the magnitude is lower. The thickness and magnitude are subject to uncertainties due to limitations in the imaging resolution of the system but still provide an order of magnitude as a useful reference for comparison against computational fluid dynamic simulations.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Sensitivity of Simulations of Double-detonation Type Ia Supernovae to Integration Methodology

Abstract We study the coupling of hydrodynamics and reactions in simulations of the double-detonation model for Type Ia supernovae. When assessing the convergence of simulations, the focus is usually on spatial resolution; however, the method of coupling the physics together as well as the tolerances used in integrating a reaction network also play an important role. In this paper, we explore how the choices made in both coupling and integrating the reaction portion of a simulation (operator/Strang splitting versus the simplified spectral deferred corrections method we introduced previously) influences the accuracy, efficiency, and nucleosynthesis of simulations of double detonations. We find no need to limit reaction rates or reduce the simulation time step to the reaction timescale. The entire simulation methodology used here is GPU-accelerated and made freely available as part of the Castro simulation code.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Toward more mechanistic representations of biogeochemical processes in river networks: Implementation and demonstration of a multiscale model

A recently introduced multiscale model for representing the effects of small-scale hyporheic-zone biogeochemical processes is extended from the reach scale to river network scales. The model uses advection-dispersion-reaction equations for the channel network and one-dimensional advection-reaction subgrid models for the hyporheic zone. We summarize implementation in the integrated surface/subsurface hydrology modeling system Amanzi-ATS. The extension uses topologically defined meshes to represent stream/river networks and associates a hyporheic subgrid model with each channel grid cell. Biogeochemical reaction modeling capability residing in community software is accessed through an application programming interface. The implementation is verified against independent numerical solutions on a single reach. Mesh convergence studies show that commonly used semi-distributed representations can introduce significant spatial discretization error. Denitrification of farm runoff in a subbasin of the Portage River Basin in Ohio, USA is used to demonstrate the general-purpose reactive transport capability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

When Do Extended Physics-Informed Neural Networks (XPINNs) Improve Generalization?

Physics-informed neural networks (PINNs) have become a popular choice for solving high-dimensional partial differential equations (PDEs) due to their excellent approximation power and generalization ability. Recently, extended PINNs (XPINNs) based on domain decomposition methods have attracted considerable attention due to their effectiveness in modeling multiscale and multiphysics problems and their parallelization. However, theoretical understanding of their convergence and generalization properties remains unexplored. In this study, we take an initial step towards understanding how and when XPINNs outperform PINNs. Specifically, for general multilayer PINNs and XPINNs, we first provide a prior generalization bound via the complexity of the target functions in the PDE problem and a posterior generalization bound via the posterior matrix norms of the networks after optimization. Moreover, based on our bounds, we analyze the conditions under which XPINNs improve generalization. Concretely, our theory shows that the key building block of XPINN, namely, the domain decomposition, introduces a tradeoff for generalization. On the one hand, XPINNs decompose the complex PDE solution into several simple parts, which decreases the complexity needed to learn each part and boosts generalization. On the other hand, decomposition leads to less training data being available in each subdomain, and hence such a model is typically prone to overfitting and may become less generalizable. Empirically, we choose five PDEs to show when XPINNs perform better than, similar to, or worse than PINNs, hence demonstrating and justifying our new theory.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Secure mmWave Spectrum Sharing with Autonomous Beam Scheduling for 5G and Beyond

Spectrum Sharing (SS) has seen a renewed set of initiatives in 5G with the availability of shared and unlicensed spectrum bands that can be used by multiple cellular service providers and private cellular networks. Beam based transmission, instead of the traditional sector based transmission in conjunction with the spectrum agility of the 5G New Radio (NR) has brought new opportunities to optimized sharing of spectrum. Currently in the U.S., a centralized Spectrum Access Server (SAS) is used to co-ordinate spectrum sharing among networks sharing the same spectrum band. However, SAS becomes a focal point for security attacks and a performance bottleneck. In addition, SAS relies on an Environmental Sensor Network (ESN), separate from the 5G network. Without trusted spectral occupancy information, false reporting of spectrum sensing data can create sub-optimal and unfair spectrum usage. This paper summarizes our recent research findings in using a decentralized scheme for multiple networks to securely share spectrum with autonomous beam scheduling : 1) A new stochastic network framework based on Lyapunov Optimization approach is developed to optimize scheduling at the base stations; 2) Game theoretic (GT) approach is used to formulate the distributed scheduler; 3) Another distributed scheduler with Q-learning is presented that utilizes the Reinforcement Learning (RL) approach; 4) The performance and convergence rate of these distributed solutions to use shared and unlicensed spectrum are compared with existing solutions. Conditions under which the performance of these schedulers approach the theoretical upper bound, which is the performance possible with no interference among the operators sharing the spectrum, are presented; 5) The ability of a base station to use its own user equipment as sensors, for optimal spectrum sharing with base stations in other operator networks, is demonstrated to be an effective approach.

5G↗
DOE OSTI2021

Distributed ADMM Using Private Blockchain for Power Flow Optimization in Distribution Network With Coupled and Mixed-Integer Constraints

The optimization problem for scheduling distributed energy resources (DERs) and battery energy storage systems (BESS) integrated with the power grid is important to minimize energy consumption from conventional sources in response to demand. Conventionally this optimization problem is solved in a centralized manner, limiting the size of the problem that can be solved and creating a high communication overhead because all the data is transferred to the central controller. These limitations are addressed by the proposed distributed consensus-based alternating direction method of multiplier (DC-ADMM) optimization algorithm, which decomposes the optimization problem into subproblems with private cost function and constraints. The distribution feeder is partitioned into low coupling subnetworks/regions, which solves the private subproblem locally and exchanges information with the neighboring regions to reach consensus. The relaxation strategy is employed for mixed-integer and coupled constraints introduced in the optimal power flow (OPF) problem by stationary and transportable BESS because DC-ADMM convergence is only guaranteed for strict convex problems. The information exchange and synchronization between subnetworks/regions are vital for distributed optimization. In this work, both of these aspects are addressed by the blockchain. The smart contract deployed on the blockchain network acts as a mediator for secure data exchange and synchronization in distributed computation. The blockchain-based distributed optimization problem’s effectiveness is tested for a 0.5-MW laboratory microgrid for one hour ahead and day-ahead for the IEEE 123-bus and EPRI J1 test feeders, and results are compared with a centralized solution.

25 ENERGY STORAGE↗
DOE OSTI2024

CO 2 storage site characterization using ensemble-based approaches with deep generative models

Estimating spatially distributed properties such as permeability from available sparse measurements is a great challenge in efficient subsurface CO 2 storage operations. In this paper, a deep generative model that can accurately capture complex subsurface structure is tested with an ensemble-based inversion method for accurate and accelerated characterization of CO 2 storage sites. We chose Wasserstein Generative Adversarial Network with Gradient Penalty (WGAN-GP) for its realistic reservoir property representation and Ensemble Smoother with Multiple Data Assimilation (ES-MDA) for its robust data fitting and uncertainty quantification capability. WGAN-GP are trained to generate high-dimensional permeability fields from a low-dimensional latent space and ES-MDA then updates the latent variables by assimilating available measurements. Several subsurface site characterization examples including Gaussian, channelized, and fractured reservoirs are used to evaluate the accuracy and computational efficiency of the proposed method and the main features of the unknown permeability fields are characterized accurately with reliable uncertainty quantification. Furthermore, the estimation performance is compared with a widely-used variational, i.e., optimization-based, inversion approach, and the proposed approach outperforms the variational inversion method in several benchmark cases. We explain such superior performance by visualizing the objective function in the latent space: because of nonlinear and aggressive dimension reduction via generative modeling, the objective function surface becomes extremely complex while the ensemble approximation can smooth out the multi-modal surface during the minimization. This suggests that the ensemble-based approach works well over the variational approach when combined with deep generative models at the cost of forward model runs unless convergence-ensuring modifications are implemented in the variational inversion.

42 ENGINEERING↗
DOE OSTI2023

Resilient Design of Continuous-time Distributed Optimization Algorithm in the Presence of Cyber-attacks

This paper presents a continuous-time resilient distributed optimization algorithm based on competitive interaction design method on connected graphs in the presence of adversaries. Here, the competitive interaction method allows us to design a network that protects the multi-agent systems from adversaries without requiring high network connectivity. In addition, the proposed algorithm does not require the global information about the number of adversaries. First, we show that the proposed distributed algorithm solves the resilient distributed optimization problem with no attack on the communication links. Second, we show that the proposed continuous-time distributed optimization algorithm on connected graphs converges to the small neighborhood of the optimal solution in the presence of cyber-attacks onto the communication channel. Simulations are presented to illustrate our theoretical results.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Decentralized Carrier Phase Shifting for Optimal Harmonic Minimization in Asymmetric Parallel-Connected Inverters

This paper presents a carrier phase shifting technique for minimizing the aggregate harmonics in networks of asymmetric parallel-connected inverters for distributed power generation system applications. The proposed technique is: 1) implemented in a decentralized manner, relying only on local voltage and current measurements, and 2) optimal in the sense that it minimizes a cost function representing the carrier-frequency current harmonics. The analysis indicates that the proposed optimal carrier phase shifting technique can enable order-of-magnitude reductions in harmonic power, and also universal improvements compared to symmetric carrier interleaving for asymmetric inverter networks. Moreover, compared to existing methods that require either centralized communication or information exchange between inverters to coordinate carriers, the proposed technique is completely decentralized, which provides important practical benefits for implementation, including improved robustness and reduced cost. The technique is experimentally validated on a network of three single-phase 2-kW inverters and demonstrates a 36.5% reduction in the weighted total harmonic distortion factor of the aggregate inverter current, and the ability to converge to the optimal carrier phase spacing dynamically in less than one line frequency cycle (16.7 ms) in steady state and transient operating conditions.

42 ENGINEERING↗
DOE OSTI2024

User-Centric Communication With Aerial Network for 6G: A Reinforcement Learning Approach

Meeting the diverse needs of user verticals requires innovative cellular architectures that can offer additional degrees of freedom to provide on-demand services. The terrestrial user-centric radio access network (UC-RAN) stands out as an excellent choice for this purpose. However, a drawback of UC-RAN is its tendency to prioritize high-priority verticals, often resulting in a subpar quality of experience for low-priority verticals. This issue is particularly exacerbated in hotspot areas. Here, to address this problem, we introduce an aerial network integrated with terrestrial UC-RAN to provide coverage to users which are not served by the terrestrial network. Furthermore, we analyze the impact of key configuration and optimization parameters (COPs), such as location, transmit power, altitude, and beamwidth of aerial base stations (ABSs) on system key performance indicators (KPIs), such as coverage, latency satisfaction, average spectral efficiency, and energy efficiency. We formulate a robust multiobjective function to maximize these KPIs without biasing toward any specific KPI(s). Finally, we propose a deep reinforcement learning optimization framework based on the state-of-the-art soft actor-critic algorithm to control ABS COPs and optimize system KPIs. Experimental evaluations demonstrate that the proposed optimization framework can converge to near-optimal solutions derived from the pseudo brute force in a few thousand epochs.

6G↗
DOE OSTI2026

Parallel-in-Time Solution of Allen-Cahn Equations by Integrating Operator Learning into the Parareal Method

While recent advances in deep learning have shown promising efficiency gains in solving time-dependent partial differential equations (PDEs), matching the accuracy of conventional numerical solvers still remains a challenge. One strategy to improve the accuracy of deep learning-based solutions for time-dependent PDEs is to use the learned model as the coarse propagator in the Parareal method and a traditional numerical method as the fine solver. However, successful integration of deep learning into the Parareal method requires consistency between the coarse and fine solvers, particularly for PDEs exhibiting rapid changes such as sharp transitions. Here, to ensure this consistency, we propose using convolutional neural networks (CNNs) to learn the fully discrete time-stepping operator defined by the same numerical scheme employed as the fine solver. We demonstrate the effectiveness of the proposed method in solving the classical and mass-conservative Allen–Cahn (AC) equations. Through iterative updates in the Parareal algorithm, our approach achieves a significant computational speedup compared to traditional fine solvers while converging to high-accuracy solutions. Our results highlight that the proposed hybrid Parareal algorithm effectively accelerates simulations, particularly when implemented on multiple GPUs, and converges to the desired accuracy in only a few iterations. Another advantage of our method is that the CNN model is trained on trajectory-based data generated from random initial conditions, such that the trained model can be used to solve the AC equations with various initial conditions without retraining. This work demonstrates the potential of integrating neural network methods into parallel-in-time frameworks for efficient and accurate simulations of time-dependent PDEs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Galerkin Neural Networks: A Framework for Approximating Variational Equations with Error Control

Herein, we present a new approach to using neural networks to approximate the solutions of variational equations, based on the adaptive construction of a sequence of finite-dimensional sub-spaces whose basis functions are realizations of a sequence of neural networks. Here, the finite-dimensional subspaces are then used to define a standard Galerkin approximation of the variational equation. This approach enjoys a number of advantages, including: the sequential nature of the algorithm offers a systematic approach to enhancing the accuracy of a given approximation; the sequential enhancements provide a useful indicator for the error that can be used as a criterion for terminating the sequential updates; the basic approach is largely oblivious to the nature of the partial differential equation under consideration; and, some basic theoretical results are presented regarding the convergence (or otherwise) of the method which are used to formulate basic guidelines for applying the method.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Multi-User Capacity for Cyclic Prefix Direct Sequence Spread Spectrum with Linear Detection and Precoding

Cyclic Prefix Direct Sequence Spread Spectrum (CP-DSSS) is a promising solution for futuristic 6G ultra-reliable low latency communications (URLLC) and massive machine type communication (mMTC) applications, where the CP-DSSS waveform would operate as a secondary network at the same frequencies as the primary network but at much lower SNR. In this paper, we show per-user capacity for multi-user scenarios, where simple matched filtering (MF) is performed on the uplink (UL) and time-reversal (TR) precoding is used on the downlink (DL). When operating in the low SNR regime, CP-DSSS achieves per-user capacity near the optimum single-user capacity by using a MF detector at the receiver for the UL. TR precoding converges to the optimal capacity as the number of antennas at the hub/gateway increases. Given the near-optimal performance of MF detection and TR precoding for each of the users, CP-DSSS can be implemented with simple device transceiver structures, reducing per-unit cost for massively deployed 6G networks.

5G and Beyond Communications↗
DOE OSTI2023

An integrated coupling model for solving multiscale fluid-fluid coupling problems in SAM code

In this study, an integrated coupling method has been developed for solving multiscale fluid-fluid coupling problems in plant-scale safety analysis models in SAM (System Analysis Module) code. In this method, a higher-fidelity multi-dimensional (3D) flow module is used for reactor components of complex flow features (e.g., reactor core) and a lumped parameter one-dimensional (1D) flow module for plant-scale flow loops (e.g., primary loop pipe network), respectively. In this method, the 3D fluid equation/domain and 1D fluid equation/domain are tightly coupled at the residual level and solved simultaneously using the Newton’s method to overcome the convergence issues typically seen in existing approaches like separate domain approach, where the 3D fluid equation and 1D fluid equation are solved separately. Extensive and successful code verifications and demonstrations have been performed for this newly developed method. This new modeling approach significantly simplify the work flow in developing high-fidelity plant-scale safety analysis model, e.g. for pool-type reactors and pebble-bed reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2024

Clusters of Regional Precipitation Seasonality Change in the Community Earth System Model, Version 2

Abstract The likely changes to precipitation seasonality with warming are both impactful and not well understood. This work aims to describe areas that experience similar changes to seasonal precipitation irrespective of the original underlying precipitation seasonality. We train a self-organizing map on the difference between the seasonal cycle of precipitation in the past and in a high-warming future climate as represented by the Community Earth System Model, version 2, to create regions with similar changes in precipitation seasonality. This method is applied separately over land and ocean surfaces because of the differing processes leading to precipitation over each. This method indicates that future changes in seasonal precipitation are most varied in the tropics because of a southward shift in the intertropical convergence zone. The seasonal shifts found over midlatitude oceans indicate a poleward shift in atmospheric river activity. We find a correspondence between certain land-based precipitation changes and Köppen climate classification. The seasonality of large-scale and convective precipitation is examined for each region. The relationship between the seasonal changes to precipitation and associated atmospheric processes is discussed. These processes include atmospheric rivers, the intertropical convergence zone, tropical cyclones, and monsoons.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Optimizing the optimizer for physics-informed neural networks and Kolmogorov-Arnold networks

Physics-Informed Neural Networks (PINNs) have revolutionized the computation of PDE solutions by integrating partial differential equations (PDEs) into the neural network’s training process as soft constraints, becoming an important component of the scientific machine learning (SciML) ecosystem. More recently, physics-informed Kolmogorv-Arnold networks (PIKANs) have also shown to be effective and comparable in accuracy with PINNs. In their current implementation, both PINNs and PIKANs are mainly optimized using first-order methods like Adam, as well as quasi-Newton methods such as BFGS and its low-memory variant, L-BFGS. However, these optimizers often struggle with highly nonlinear and non-convex loss landscapes, leading to challenges such as slow convergence, local minima entrapment, and (non)degenerate saddle points. In this study, we investigate the performance of Self- Scaled BFGS (SSBFGS), Self-Scaled Broyden (SSBroyden) methods and other advanced quasi-Newton schemes, including BFGS and L-BFGS with different line search strategies. These methods dynamically rescale updates based on historical gradient information, thus enhancing training efficiency and accuracy. We systematically compare these optimizers – using both PINNs and PIKANs – on key challenging PDEs, including the Burgers, Allen-Cahn, Kuramoto-Sivashinsky, Ginzburg-Landau, and Stokes equations. Additionally, we evaluate the performance of SSBFGS and SSBroyden for Deep Operator Network (DeepONet) architectures, demonstrating their effectiveness for data-driven operator learning. Our findings provide state-of-the-art results with orders-of-magnitude accuracy improvements without the use of adaptive weights or any other enhancements typically employed in PINNs. More broadly, our work reveal insights into the effectiveness of quasi-Newton optimization strategies in significantly improving the convergence and accurate generalization of PINNs and PIKANs.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

A Pseudoreversible Normalizing Flow for Stochastic Dynamical Systems with Various Initial Distributions

Here, we present a pseudoreversible normalizing flow method for efficiently generating samples of the state of a stochastic differential equation (SDE) with various initial distributions. The primary objective is to construct an accurate and efficient sampler that can be used as a surrogate model for computationally expensive numerical integration of SDEs, such as those employed in particle simulation. After training, the normalizing flow model can directly generate samples of the SDE’s final state without simulating trajectories. The existing normalizing flow model for SDEs depends on the initial distribution, meaning the model needs to be retrained when the initial distribution changes. The main novelty of our normalizing flow model is that it can learn the conditional distribution of the state, i.e., the distribution of the final state conditional on any initial state, such that the model only needs to be trained once and the trained model can be used to handle various initial distributions. This feature can provide a significant computational saving in studies of how the final state varies with the initial distribution. Additionally, we propose to use a pseudoreversible network architecture to define the normalizing flow model, which has sufficient expressive power and training efficiency for a variety of SDEs in science and engineering, e.g., in particle physics. We provide a rigorous convergence analysis of the pseudoreversible normalizing flow model to the target probability density function in the Kullback–Leibler divergence metric. Numerical experiments are provided to demonstrate the effectiveness of the proposed normalizing flow model.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Multi-variance replica exchange SGMCMC for inverse and forward problems via Bayesian PINN

Physics-informed neural network (PINN) has been successfully applied in solving a variety of nonlinear non-convex forward and inverse problems. However, the training is challenging because of the non-convex loss functions and the multiple optima in the Bayesian inverse problem. In this work, we propose a multi-variance replica exchange stochastic gradient Langevin dynamics method to tackle the challenge of the multiple local optima in the optimization and the challenge of the multiple modal posterior distribution in the inverse problem. Replica exchange methods are capable of escaping from the local traps and accelerating the convergence; two chains with different temperatures are designed where the low temperature chain aims for the local convergence, and the target of the high temperature chain is to travel globally and explore the whole loss function entropy landscape. However, it may not be efficient to solve mathematical inversion problems by using the vanilla replica method directly since the method doubles the computational cost in evaluating the forward solvers (likelihood functions) in the two chains. To address this issue, we propose to make different assumptions on the energy function estimation and this facilities one to use solvers of different fidelities in the likelihood function evaluation. More precisely, one can use a solver with low fidelity in the high temperature chain while using a solver with high fidelity in the low temperature chain. Our proposed method significantly lowers the computational cost in the high temperature chain, meanwhile preserving the accuracy and converging very fast. Here we give an unbiased estimate of the swapping rate and give an estimation of the discretization error of the scheme. To verify our idea, we design and solve four inverse problems which have multiple modes. The proposed method is also employed to train the Bayesian PINN to solve the forward and inverse problems; faster and more accurate convergence has been observed when compared to the stochastic gradient Langevin dynamics (SGLD) method and vanilla replica exchange methods.

97 MATHEMATICS AND COMPUTING↗