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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 433 records · Page 24

A novel technique for minimizing energy functional using neural networks

An energy functional describes the equilibrium state of a system. In this work, we present a novel technique, Functional Optimization using Neural Networks (FONN), for minimizing the system’s energy. FONN utilizes neural networks to process information at discrete grid points, considering their interactions with neighboring grid points, to update the state of the system. The training process involves formulating a loss function based on the system’s energy, and with the help of multiple fine-tuning steps, the method employs a progressive energy reduction technique that decreases the energy in multiple steps. FONN’s effectiveness is demonstrated across various problems, including the minimization of the heat and Lyapunov energy. Furthermore, the paper explores the minimization of the elastic bending energy with an area constraint.

97 MATHEMATICS AND COMPUTING↗

Improving Resiliency in Planning MW-Scale Medium and Heavy Duty EV Charging Stations Considering TSCOTS Optimization

Electrification of heavy-duty (HD) vehicles marks an important milestone and technical challenge in the electric vehicle (EV) industry and the public grid. However, implementing EV charging at this scale will necessitate that traditional truck stops be updated with EV charging infrastructure that could represent 10's of MW in electricity consumption. Furthermore, as the transportation sector is represented as critical infrastructure, supporting resiliency considerations in EV charging infrastructure will be critical. This paper proposes an optimization-based approach for optimally designing a MW-scale microgrid charging network. This approach transforms conventional designed truck stops into a reliable HDEV charging stations capable of overnight slow charging and 30-minute to 1 hour fast charging. Using a mixed-integer linear program formulation blending capacity planning and reliability constraints, an optimal network configuration can be solved for a proposed EV charging station that includes photovoltaic and battery energy storage capabilities.

Ponce, Moises [University of Tennessee, Knoxville ↗

A Networked Microgrid Framework and Testbed for Communication, Controls, and Optimization Testing

This paper presents the development and experimental results of a networked AC microgrid testbed located at Oak Ridge National Laboratory. The testbed comprises two, 480V three-phase, four wire microgrids designed to operate standalone, grid-tied, or as a network of microgrids. This testbed represents both the state of the industry, by incorporating grid-assets commonly found in real microgrids, and the state of the art, as it is a platform to evaluate advanced controllers. The main elements of this networked microgrid testbed are presented in this paper including a Scenario Manager, local microgrid controls, and a networked microgrid control. The Scenario Manager has the objective of emulating real-world conditions. The local microgrid controller oversees standalone, grid-tied, or islanded operation. The microgrid control is a higher-level control that coordinates interaction between islanded microgrids. This paper delves into these controllers and validates their operation in the networked microgrid testbed showcasing the operational flexibility and advance control capabilities.

Ferrari Maglia, Max↗

Layer-by-Layer Organic Solar Cells Enabled by 1,3,4-Selenadiazole-Containing Crystalline Small Molecule with Double-Fibril Network Morphology

A double-fibril network of the photoactive layer morphology is recognized as an ideal structure facilitating exciton diffusion and charge carrier transport for high-performance organic solar cells (OSCs). However, in the layer-by-layer processed OSCs (LbL-OSCs), polymer donors and small molecule acceptors (SMAs) are separately deposited, and it is challenging to realize a fibril network of pure SMAs with the absence of tight interchain entanglement as polymers. Here, in this work, crystalline small molecule donors (SMDs), named TDZ-3TR and SeDZ-3TR, were designed and introduced into the L8-BO acceptor solution, forcing the phase separation and molecular fibrilization. SeDZ-3TR showed higher crystallinity and lower miscibility with L8-BO acceptor than TDZ-3TR, enabling more driving force to favor the phase separation and better molecular fibrilization of L8-BO. On the other hand, two donor polymers of PM6 and D18 with different fibril widths and lengths were put together to optimize the fibril network of the donor layer. The simultaneously optimization of the acceptor and donor layers resulted in a more ideal double-fibril network of the photoactive layer and an impressive power conversion efficiency (PCE) of 19.38 % in LbL-OSCs.

36 MATERIALS SCIENCE↗

Modeling and optimization of steady flow of natural gas and hydrogen mixtures in pipeline networks

Here, we extend the canonical problems of simulation and optimization of steady-state gas flows in pipeline networks with compressors to the transport of mixtures of highly heterogeneous gases injected throughout a network. Our study is motivated by proposed projects to blend hydrogen generated using clean energy into existing natural gas pipeline systems as part of efforts to reduce the reliance of energy systems on fossil fuels. Flow in a pipe is related to endpoint pressures by a basic Weymouth equation model, with an ideal gas equation of state, where the wave speed depends on the hydrogen concentration. At vertices, in addition to mass balance, we also consider mixing of incoming flows of varying hydrogen concentrations. The problems of interest are the heterogeneous gas flow simulation (HGFS), which determines system pressures and flows given fixed boundary conditions and compressor settings, as well as the heterogeneous gas flow optimization (HGFO), which extremizes an objective by determining optimal boundary conditions and compressor settings. We examine conditions for uniqueness of solutions to the HGFS, as well as compare and contrast mixed-integer and continuous nonlinear programming formulations for the HGFO. We develop computational methods to solve both problems, and examine their performance using four test networks of increasing complexity.

08 HYDROGEN↗

An Accurate, Error-Tolerant, and Energy-Efficient Neural Network Inference Engine Based on SONOS Analog Memory

In this work, we demonstrate SONOS (silicon-oxide-nitrideoxide- silicon) analog memory arrays that are optimized for neural network inference. The devices are fabricated in a 40nm process and operated in the subthreshold regime for in-memory matrix multiplication. Subthreshold operation enables low conductances to be implemented with low error, which matches the typical weight distribution of neural networks, which is heavily skewed toward near-zero values. This leads to high accuracy in the presence of programming errors and process variations. We simulate the end-to-end neural network inference accuracy, accounting for the measured programming error, read noise, and retention loss in a fabricated SONOS array. Evaluated on the ImageNet dataset using ResNet50, the accuracy using a SONOS system is within 2.16% of floating-point accuracy without any retraining. The unique error properties and high On/Off ratio of the SONOS device allow scaling to large arrays without bit slicing, and enable an inference architecture that achieves 20 TOPS/W on ResNet50, a >10× gain in energy efficiency over state-of-the-art digital and analog inference accelerators.

97 MATHEMATICS AND COMPUTING↗

Reprocessable polyhydroxyurethane networks reinforced with reactive polyhedral oligomeric silsesquioxanes (POSS) and exhibiting excellent elevated temperature creep resistance

The rapid development of covalent adaptable networks or vitrimers shows promise for addressing the long-standing recycling issues associated with conventional, permanently cross-linked thermosets. At the same time, it is important to demonstrate that properties of reprocessable polymer networks can be optimized to meet the ongoing demand for high-performance materials. We have fabricated reprocessable polyhydroxyurethane (PHU) network composites reinforced with reactive polyhedral oligomeric silsesquioxanes (POSS). With functionalized POSS serving as a fraction of the cross-linkers, the PHU–POSS network nanocomposites exhibit significantly enhanced storage modulus at the rubbery plateau region relative to the neat PHU network. With up to 10 wt% POSS loading, these network composites can undergo melt-state reprocessing at 140 °C with 100% property recovery associated with cross-link density. We also show that hydroxyurethane dynamic chemistry leads to excellent creep resistance at elevated temperature up to 90 °C and is unaffected by reactive incorporation of POSS. In conclusion, this study demonstrates the effectiveness of POSS as nanofillers for designing high-performance, organic-inorganic dynamic PHU networks with excellent reprocessability.

42 ENGINEERING↗

Learning error distribution kernel‐enhanced neural network methodology for multi‐intersection signal control optimization

Traffic congestion has substantially induced significant mobility and energy inefficiency. Many research challenges are identified in traffic signal control and management associated with artificial intelligence (AI)-based models. For example, developing AI-driven dynamic traffic system models that accurately capture high-resolution traffic attributes and formulate robust control algorithms for traffic signal optimization is difficult. Additionally, uncertainties in traffic system modeling and control processes can further complicate traffic signal system controllability. To partially address these challenges, this study presents a novel, hybrid neural network model enhanced with a probability density function kernel shaping technique to formulate traffic system dynamics better and improve comprehensive traffic network modeling and control. The numerical experimental tests were conducted, and the results demonstrate that the proposed control approach outperforms the baseline control strategies and reduces overall average delays by 11.64% on average. By leveraging the capabilities of this innovative model, this study aims to address major challenges related to traffic congestion and energy inefficiency toward more effective and adaptable AI-based traffic control systems.

Wang, Hong [Oak Ridge National Laboratory (ORNL), ↗

Scalable Deep Learning via I/O Analysis and Optimization

Scalable deep neural network training has been gaining prominence because of the increasing importance of deep learning in a multitude of scientific and commercial domains. Consequently, a number of researchers have investigated techniques to optimize deep learning systems. Much of the prior work has focused on runtime and algorithmic enhancements to optimize the computation and communication. Despite these enhancements, however, deep learning systems still suffer from scalability limitations, particularly with respect to data I/O. This situation is especially true for training models where the computation can be effectively parallelized, leaving I/O as the major bottleneck. In fact, our analysis shows that I/O can take up to 90% of the total training time. Thus, in this article, we first analyze LMDB, the most widely used I/O subsystem of deep learning frameworks, to understand the causes of this I/O inefficiency. Based on our analysis, we propose LMDBIO—an optimized I/O plugin for scalable deep learning. LMDBIO includes six novel optimizations that together address the various shortcomings in existing I/O for deep learning. Lastly, our experimental results show that LMDBIO significantly outperforms LMDB in all cases and improves overall application performance by up to 65-fold on a 9,216-core system.

97 MATHEMATICS AND COMPUTING↗

Leveraging Optimal Sparse Sensor Placement to Aggregate a Network of Digital Twins for Nuclear Subsystems

Nuclear power plants (NPPs) require continuous monitoring of various systems, structures, and components to ensure safe and efficient operations. The critical safety testing of new fuel compositions and the analysis of the effects of power transients on core temperatures can be achieved through modeling and simulations. They capture the dynamics of the physical phenomenon associated with failure modes and facilitate the creation of digital twins (DTs). Accurate reconstruction of fields of interest (e.g., temperature, pressure, velocity) from sensor measurements is crucial to establish a two-way communication between physical experiments and models. Sensor placement is highly constrained in most nuclear subsystems due to challenging operating conditions and inherent spatial limitations. This study develops optimized data-driven sensor placements for full-field reconstruction within reactor and steam generator subsystems of NPPs. Optimized constrained sensors reconstruct field of interest within a tri-structural isotropic (TRISO) fuel irradiation experiment, a lumped parameter model of a nuclear fuel test rod and a steam generator. The optimization procedure leverages reduced-order models of flow physics to provide a highly accurate full-field reconstruction of responses of interest, noise-induced uncertainty quantification and physically feasible sensor locations. Accurate sensor-based reconstructions establish a foundation for the digital twinning of subsystems, culminating in a comprehensive DT aggregate of an NPP.

42 ENGINEERING↗

Machine learning and atomic layer deposition: Predicting saturation times from reactor growth profiles using artificial neural networks

In this work, we explore the application of deep neural networks to the optimization of atomic layer deposition (ALD) processes. In particular, we focus on a one-shot optimization problem, where we try to predict the optimal dose time that leads to saturation everywhere in the reactor based on thickness values measured at different points of an ALD reactor after a single trial growth. In order to tackle this problem, we introduce a dataset designed to train neural networks to predict saturation times based on these inputs for a cross-flow ALD reactor. Here, we then explore the predictive ability of artificial neural networks of different depths and sizes using a separate testing dataset to evaluate their accuracies. The results obtained show that networks trained using stochastic gradient descent methods can accurately predict saturation times without requiring any additional information on the surface kinetics. This provides a viable approach to minimize the number of experiments required to optimize new ALD processes in a known reactor, and it highlights the way machine learning can be leveraged for thin film growth and manufacturing. While the datasets and training procedure depend on the reactor geometry, the trained neural networks provide a general surrogate model connecting thickness values and trial dose times with optimal saturation times that can be reused for different ALD processes within the same reactor.

36 MATERIALS SCIENCE↗

Design, Synthesis, and Validation: Genome Scale Optimization of Energy Flux through Compartmentalized Metabolic Networks in a Model Photosynthetic Eukaryotic Microbe (Final Report)

Photosynthetic organisms have recently gained considerable attention for a role in development of renewable energy sources. Genome-enabled systems biology methodology and modeling, coupled with high throughput genome engineering strategies, present opportunities to develop sustainable and economical applications such as fuel production within the next 10 to 15 years. However, optimization of light-driven metabolism for biomass or biofuel production will require significant advances in methodological throughput as well as improvements in detailed systems biology understanding of photosynthetic processes and cellular metabolism. The ability of diatoms to thrive in upwelling-induced, periodically nutrient-rich conditions makes them the base for the world’s shortest and most energy-efficient food webs. Diatom photosynthesis is estimated to account for between 25% and 40% of the 45-50 billion tons of organic carbon fixed annually in the sea.

60 APPLIED LIFE SCIENCES↗

Multi-objective design of microvascular panels for battery cooling applications

Building on a recently developed optimization method based on an interface-enriched generalized finite element method, multiple objective functions are considered for the optimization of 2D networks of microchannels embedded in battery-cooling panels. The objective functions considered in this study are a differentiable alternative to the maximum temperature (the p-mean of the temperature), the pressure drop and the variance of the temperature. The -constraint method and the normalized normal constraint method are used to generate the pressure-temperature Pareto optimal front of the multi-objective optimization problem. The effects of different operating constraints/conditions such as localization of heat sources, prescribed pump power and imposed flow rate on the optimal designs are investigated. In addition to the topology of the embedded network, the cross sections of the microchannels are also introduced as design parameters to further improve the pressure drop of the designs. The resulting variable-cross-section optimized design is validated with experiment.

energy storage (including batteries and capacitors↗

Challenges for unsupervised anomaly detection in particle physics

Anomaly detection relies on designing a score to determine whether a particular event is uncharacteristic of a given background distribution. One way to define a score is to use autoencoders, which rely on the ability to reconstruct certain types of data (background) but not others (signals). In this paper, we study some challenges associated with variational autoencoders, such as the dependence on hyperparameters and the metric used, in the context of anomalous signal (top and W) jets in a QCD background. We find that the hyperparameter choices strongly affect the network performance and that the optimal parameters for one signal are non-optimal for another. In exploring the networks, we uncover a connection between the latent space of a variational autoencoder trained using mean-squared-error and the optimal transport distances within the dataset. We then show that optimal transport distances to representative events in the background dataset can be used directly for anomaly detection, with performance comparable to the autoencoders. Whether using autoencoders or optimal transport distances for anomaly detection, we find that the choices that best represent the background are not necessarily best for signal identification. These challenges with unsupervised anomaly detection bolster the case for additional exploration of semi-supervised or alternative approaches.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Efficient Surrogate Model Development: Impact of Sample Size and Underlying Model Dimensions

This study compares eight surrogate-model construction approaches using computational experiments. Here, the construction approaches considered include: Artificial Neural Networks (ANNs), Automated Learning of Algebraic Models using Optimization (ALAMO), Radial Basis Networks (RBNs), Extreme Learning Machines (ELMs), Gaussian Progress Regression (GPR), Random Forests (RFs), Support Vector Regression (SVR), and Multivariate Adaptive Regression Splines. Each approach is used to construct surrogate models for predicting the outputs of thirty-four test functions. The data used to construct surrogate models were generated using Latin Hypercube Sampling (LHS), Halton and Sobol sampling methods. We studied the impact of sampling method, sample size, and challenge function characteristics on the accuracy of surrogate model predictions. Our results revealed that for smaller sample sizes, on average, surrogate models trained using the data points generated by Sobol sequences provided the best estimation for all surrogate model construction approaches. As the sample size increased, the impact of sampling methods diminished. The comparison of surrogate-modeling construction approaches at large sample sizes revealed that surrogate models trained using ANN, ALAMO, and ELM yielded smaller root mean squared error and higher adjusted R-squared values than the models trained using the rest of the approaches.

42 ENGINEERING↗

Improved Evaluation of Large Network Matrices for Linear Power Flow Within Optimization Problems: Preprint

This work discusses methods for evaluating the Power Transfer Distribution Factor (PTDF) and Line Outage Distribution Factor (LODF) matrices by employing sparse linear algebra for large-scale computing applications. These matrices are critical in many power systems applications, such as the Unit Commitment Problem (UC), pre- and post-contingency power flow analysis, and transmission expansion. These matrices are typically dense, which means they require a significant amount of time and memory to be computed for large networks. However, by analyzing the structure of the matrices and their computation method, it is possible to use reduced memory methods based on sparse matrix operations. This paper shows that sparse linear algebra algorithms are faster and require less memory and time than traditional dense approaches. Additionally, we explore the effect of matrix sparsification by eliminating trailing digits on power flow calculations.

ENERGY PLANNING, POLICY, AND ECONOMY↗

Improved Evaluation of Large Network Matrices for Linear Power Flow Within Optimization Problems

This work presents methods for evaluating the Power Transfer Distribution Factor (PTDF) and Line Outage Distribution Factor (LODF) matrices by employing sparse linear algebra for large-scale computing applications. These matrices play a critical role in many power system applications, such as the Unit Commitment Problem (UC), pre- and post-contingency power flow analysis, and transmission expansion. These matrices are typically dense, which means they require a significant amount of time and memory to be computed for large networks. However, by analyzing the structure of the matrices and their computation method, it is possible to use reduced memory methods based on sparse matrix operations. This paper shows that sparse linear algebra algorithms are faster and require less memory and time than traditional dense approaches. Additionally, we explore the effect of matrix sparsification by eliminating trailing digits on power flow calculations.

large scale↗

AutonomieAI: An efficient and deployable vehicle energy consumption estimation toolkit

Here, this paper presents AutonomieAI, a novel toolkit designed for efficient energy estimation of vehicles across diverse trip scenarios, routes, and drive cycles, applicable to a broad range of vehicle powertrain technologies. It leverages state-of-the-art Machine Learning techniques to deliver real-time energy prediction of vehicles, enabling co-simulation with transportation level system tools and opening doors for large-scale optimization at city, network or national level. Benchmark results show that AutonomieAI achieves high accuracy, with an average percentage error below 2% for most powertrain types, and computational efficiency capable of processing over 10,000 trips per second. Applications of AutonomieAI have potential to offer the flexibility to assist in solving eco-routing problems, optimize for vehicle and powertrain selection, study charging decision behavior, and optimize for charging station placement. AutonomieAI is the result of large neural network based model architectures, trained on very large and unique high fidelity vehicle simulation data. It is lightweight, deployable, efficient and has accuracy comparable to specialized and complex physics based simulation softwares.

Autonomie↗