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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 OSTI2022

Mucus-Inspired Tribology, a Sticky Yet Flowing Hydrogel

The mucus blanket can trap foreign particles before they enter the lungs, while at the same time, it flows up to remove these particles. This manifests the dual nature of mucus: sticky, on one hand, and fluid, on the other. Inspired by this function of mucus in the lungs, we designed a mucus simulant which emulates this dual nature. While many existing mucus simulants do not target bioadhesion particularly, poly(vinyl alcohol) (PVA)-based simulants make an exception. Despite their bioadhesion tendency, unlike mucus, they do not gelate. In this study, we added a physical cross-linking agent to PVA in order to add the gelation aspect and to better represent mucous properties. We show that the resultant mucus simulant develops into two regions: a highly sticky region near the surface of a foreign object (we used hydrophobized silicon to mimic the foreign object) and a fluid region far away from that surface. We show that the sticky part can slide past the less sticky part, while the foreign object is stuck to it. However, this mechanism changes with time. At short gelation times, this tendency to separate into two parts is enhanced and the foreign object remains stuck, while the rest of the gel flows. With time, the force required to allow the sticky part to slide over the fluid part is further reduced. However, if the gelation is allowed to proceed for even longer times without disturbance, the force required to slide the two parts past each other increases and the separation between the two parts is inhibited. The hydrogel becomes a sticky goo, which requires a higher force to move or unclog if placed in a duct (much like what happens with mucus in the tracheal duct). We explain the physics of our findings in terms of a competition between the tendency of the polymer to form a gel network and the tendency of the polymer to adsorb onto the foreign object.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Simulation-Based Model for Facility-Scale Eagle Presence Mapping

This talk presents the recent progress in building a predictive movement model for predicting conflict between soaring raptors and wind turbines. In particular, it details the recently developed numerical tool called Stochastic Soaring Raptor Simulator for simulating updraft-subsidized paths for soaring raptors through variety of wind conditions and the associated directional intent.

agent-based model↗
DOE OSTI2026

Learning to Trigger: Reinforcement Learning at the Large Hadron Collider

High-throughput scientific facilities such as the Large Hadron Collider depend on real-time event filtering (\textit{triggering}) under tight constraints on bandwidth, latency, and storage. In practice, trigger menus are largely static and hand-tuned and can become suboptimal as detector conditions, pileup, and background composition drift over time. We cast online threshold tuning as a sequential decision-making problem: a reinforcement learning agent ingests streaming summaries of recent rates and signal-sensitive features and updates trigger thresholds to maximize signal efficiency while tracking a target background rate within a tolerance band. We adapt Group-Filtered Policy Optimization (GFPO) to streaming control and introduce two variants (GFPO-F, GFPO-FR) that enforce background rate feasibility during training. On a benchmark that emulates realistic collider operation, we study two representative triggers: a total transverse energy ($H_{T}$) trigger sensitive to pileup variation, and an anomaly-detection (AD) trigger based on reconstruction loss for rare or non-standard signatures. On Monte Carlo streams, our agent increases the fraction of in-tolerance time intervals by 48% ($H_T$) and 28% (AD), with a cumulative gain of up to 2% in signal efficiency on those in-tolerance intervals. Transferring from simulation to \emph{real} collision data (CMS Run 283408), the same agent, without fine-tuning, achieves a 56% ($H_T$) and 28% (AD) in-tolerance improvement over baselines, with further signal-efficiency gain on both triggers. To our knowledge, this is the \emph{first} demonstration of RL-based trigger control on real Large Hadron Collider collision data. Code is available at https://github.com/Zixind/GFPO_LHC (see repo for details).

Ding, Zixin [Chicago U.]↗
DOE OSTI2023

A Generalization of Threshold-Based and Probability-Based Models of Information Diffusion

Diffusion of information through complex networks is of interest in studies such as propagation prediction and influence maximization, both of which have applications in viral marketing and rumor controlling. There are a variety of information diffusion models, all of which simulate the adoption and spread of information over time. However, there is a lack of understanding of whether, despite their conceptual differences, these models represent the same underlying generative structures. For instance, if two different models utilize different conceptual mechanisms, but generate the same results, does the choice of model matter? A classification of diffusion of information models is developed based on the neighbor knowledge of the model infection requirement and the stochasticity of the model. This classification allows for the identification of models that fall into each respective category. The study involves the analysis of the following agent-based models on directed scale-free networks: (1) a linear absolute threshold model (LATM), (2) a linear fractional threshold model (LTFM), (3) the independent cascade model (ICM), (4) Bass-Rand-Rust model (BRRM) (5) a stochastic linear absolute threshold model (SLATM) (6) a stochastic fractional threshold model (SLFTM), and (7) Dodds–Watts model (DWM). Through the execution of simulations and analysis of the experimental results, the distinctive properties of each model are identified. Our analysis reveals that similarity in conceptual design does not imply similarity in behavior concerning speed, final state of nodes and edges, and sensitivity to parameters. Therefore, we highlight the importance of considering the unique behavioral characteristics of each model when selecting a suitable information diffusion model for a particular application.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

How good are learning-based control v.s. model-based control for load shifting? Investigations on a single zone building energy system

Both model predictive control (MPC) and deep reinforcement learning control (DRL) have been presented as a way to approximate the true optimality of a dynamic programming problem, and these two have shown significant operational cost saving potentials for building energy systems. Furthermore, there is still a lack of in-depth quantitative studies on their approximation levels to the true optimality, especially in the building energy domain. To fill in the gap, this paper provides a numerical framework that enables the evaluation of the optimality levels of different controllers for building energy systems. This framework is then used to comprehensively compare the optimal control performance of both MPC and DRL controllers with given computation budgets for a single zone fan coil unit system. Note the optimality is estimated based on a user-specific selection of trade-off weights among energy costs, thermal comfort and control slew rates. Compared with the best optimality we can find through expensive optimization simulations, the best DRL agent can maximally approximate the optimality by 96.54%, which outperforms the best MPC whose optimality level is 90.11%. However, due to the stochasticity, the DRL agent is only expected to approximate the optimality by 90.42%, which is almost equivalent to the best MPC. Except for Proximal Policy Optimization (PPO), all DRL agents can have a better approximation to the optimality than the best MPC, and are expected to have better approximation than the MPC with a prediction horizon of 32 steps (15 min per step). In terms of reducing energy cost and thermal discomfort, MPC can outperform the rule-based control (RBC) by 18.47%–25.44%. DRL can be expected to outperform RBC by 18.95%–25.65% ,and the best DRL control policy can outperform RBC by 20.29%–29.72%. Although the comparison of the optimality level is performed in a perfect setting, e.g., MPC assumes perfect models, and DRL assumes a perfect offline training process and online deployment process, this can shed insight on their capabilities of approximating to the original dynamic programming problem.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Stopping criteria for ending autonomous, single detector radiological source searches

While the localization of radiological sources has traditionally been handled with statistical algorithms, such a task can be augmented with advanced machine learning methodologies. The combination of deep and reinforcement learning has provided learning-based navigation to autonomous, single-detector, mobile systems. However, these approaches lacked the capacity to terminate a surveying/search task without outside influence of an operator or perfect knowledge of source location (defeating the purpose of such a system). Two stopping criteria are investigated in this work for a machine learning navigated system: one based upon Bayesian and maximum likelihood estimation (MLE) strategies commonly used in source localization, and a second providing the navigational machine learning network with a “stop search” action. A convolutional neural network was trained via reinforcement learning in a 10 m × 10 m simulated environment to navigate a randomly placed detector-agent to a randomly placed source of varied strength (stopping with perfect knowledge during training). The network agent could move in one of four directions (up, down, left, right) after taking a 1 s count measurement at the current location. During testing, the stopping criteria for this navigational algorithm was based upon a Bayesian likelihood estimation technique of source presence, updating this likelihood after each step, and terminating once the confidence of the source being in a single location exceeded 0.9. A second network was trained and tested with similar architecture as the previous but which contained a fifth action: for self-stopping. The accuracy and speed of localization with set detector and source initializations were compared over 50 trials of MLE-Bayesian approach and 1000 trials of the CNN with self-stopping. The statistical stopping condition yielded a median localization error of ~1.41 m and median localization speed of 12 steps. The machine learning stopping condition yielded a median localization error of 0 m and median localization speed of 17 steps. This work demonstrated two stopping criteria available to a machine learning guided, source localization system.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2022

Variational multiscale reinforcement learning for discovering reduced order closure models of nonlinear spatiotemporal transport systems

Abstract A central challenge in the computational modeling and simulation of a multitude of science applications is to achieve robust and accurate closures for their coarse-grained representations due to underlying highly nonlinear multiscale interactions. These closure models are common in many nonlinear spatiotemporal systems to account for losses due to reduced order representations, including many transport phenomena in fluids. Previous data-driven closure modeling efforts have mostly focused on supervised learning approaches using high fidelity simulation data. On the other hand, reinforcement learning (RL) is a powerful yet relatively uncharted method in spatiotemporally extended systems. In this study, we put forth a modular dynamic closure modeling and discovery framework to stabilize the Galerkin projection based reduced order models that may arise in many nonlinear spatiotemporal dynamical systems with quadratic nonlinearity. However, a key element in creating a robust RL agent is to introduce a feasible reward function, which can be constituted of any difference metrics between the RL model and high fidelity simulation data. First, we introduce a multi-modal RL to discover mode-dependant closure policies that utilize the high fidelity data in rewarding our RL agent. We then formulate a variational multiscale RL (VMRL) approach to discover closure models without requiring access to the high fidelity data in designing the reward function. Specifically, our chief innovation is to leverage variational multiscale formalism to quantify the difference between modal interactions in Galerkin systems. Our results in simulating the viscous Burgers equation indicate that the proposed VMRL method leads to robust and accurate closure parameterizations, and it may potentially be used to discover scale-aware closure models for complex dynamical systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

EV charging site day-ahead load prediction in a synthetic environment for RL based grid-informed charging

Ensuring grid health in the face of increasing demand for power is an emerging challenge especially due to transportation electrification. A free market approach to influencing electric vehicle (EV) load through grid-informed hourly dynamic pricing is introduced in this work. The setting of charging price is done by a reinforcement learning (RL) agent that learns the complicated dynamics by interacting with a synthetic environment. This synthetic environment is a combination of distribution feeder simulation, EV charger user behavior dynamics, and EV charging simulation. A key module in this synthetic environment involves obtaining the day-ahead charging profile of EV charging stations based on real-world past data. The day-ahead prediction is also useful in other traditional optimizations related to EV charge scheduling. The proposed approach involves using EV charging data from two different past time horizons – one to determine the shape of the daily profile and the other to determine a scaling value to capture actual energy consumption. Real-world charging data over many years from the ACN charging network has been used to demonstrate the ability to predict the day-ahead profile with only charge session data. Both Python and MATLAB have been used for data cleaning, processing, analysis, and prediction.

Suryanarayana, Harish↗
DOE OSTI2023

Traffic Signal Optimization by Integrating Reinforcement Learning and Digital Twins

Machine learning (ML) methods, especially reinforcement learning (RL), have been widely considered for traffic signal optimization in intelligent transportation systems. Most of these ML methods are centralized, lacking in scalability and adaptability in large traffic networks. Further, it is challenging to train such ML models due to the lack of training platforms and/or the cost of deploying and training in a real traffic networks. This paper presents an approach for the integration of decentralized graph-based multi-agent reinforcement learning (DGMARL) with a Digital Twin (DT) to optimize traffic signals for the reduction of traffic congestion and network-wide fuel consumption related to stopping. Specifically, the DGMARL agents learn traffic state patterns and make decisions regarding traffic signal control with assistance from a Digital Twin module, which simulates and replicates the traffic behaviors of a real traffic network. The proposed approach was evaluated using PTV-Vissim [1], a microscopic traffic simulation platform. PTV-Vissim is also the simulation engine of the DT, enabling emulation and optimization of the traffic signals on the MLK Smart Corridor in Chattanooga, Tennessee. Compared to an actuated signal control baseline approach, experiment results show that Eco_PI, a developed performance measure capturing the impact of stops on fuel consumption, was reduced by 44.27% in a 24-hour and an average of 29.88% in a PM-peak-hour scenario.

Multi-Agent Reinforcement Learning, Digital Twin, ↗
DOE OSTI2023

Massive Trajectory Data Based on Patterns of Life

Individual human location trajectory and check-in data have been the driving force for human mobility research in recent years. However, existing human mobility datasets are very limited in size and representativeness. For example, one of the largest and most commonly used datasets of individual human location trajectories, GeoLife, captures fewer than two hundred individuals. To help fill this gap, this Data and Resources paper leverages an existing data generator based on fine-grained simulation of individual human patterns of life to produce large-scale trajectory, check-in, and social network data. In this simulation, individual human agents commute between their home and work locations, visit restaurants to eat, and visit recreational sites to meet friends. We provide large datasets of months of simulated trajectories for two example regions in the United States: San Francisco and New Orleans. In addition to making the datasets available, we also provide instructions on how the simulation can be used to re-generate data, thus allowing researchers to generate the data locally without downloading prohibitively large files.

Amiri, Hossein↗
DOE OSTI2023

Utilizing grid–supportive load response to shape resilient frequency control of the power grid

The increasing penetration of renewable energy sources and the retirement of conventional generation units have decreased system inertia, making power systems more vulnerable to resilience and stability issues. To address this problem, this paper proposes a novel approach using grid-supportive loads (GSLs) to provide a fast and concise primary frequency response and a deep deterministic policy gradient agent-based secondary controller to restore the system frequency to the nominal value. The proposed method is evaluated on the single-area and multi-area test systems. The simulation results demonstrate that using GSLs enhances the power system's stability and resilience. Compared to conventional controllers, the frequency nadir is improved with GSLs. Additionally, the proposed method effectively enhances resilience even with high penetration. These findings indicate that the proposed approach can improve the resilience and stability of power systems and provide a promising solution for future power systems. The results of this study underscore the importance of utilizing innovative approaches to enhance the stability and resilience of power systems in the context of high penetration of renewable energy sources and the retirement of conventional generation.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Bayesian calibration of stochastic agent based model via random forest

SAND2024-11403O The Bayesian Calibration of Stochastic Agent-based Model via Random Forest is a code that was developed in concurrence with an article by the same name that was written for a journal. The code reproduces simulation results and plots from the article. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

SciDAC↗
DOE OSTI2023

Building a Computational and Experimental Rapid Response Pipeline to Counter the Coronavirus Disease 2019 Outbreak and Emerging Biothreats

The COVID-19 pandemic underscored the promise of monoclonal antibody-based prophylactic and therapeutic drugs, especially where protective candidates can be rapidly identified or developed for emerging biothreats and escape variants. Current cutting-edge technologies for this purpose still rely on pathogen-exposed convalescent volunteers and a large screening effort to find a proverbial needle in a haystack. Computational design of protective antibodies based on pre-existing templates skips those requirements and allows for greater control over the breadth and target epitope, while also co-optimizing for potency and developability or other biophysical characteristics. We approached this problem by building and expanding an in vitro experimental rapid antibody production and characterization pipeline to support development of an autonomous, closed loop, active learning software system based on structural simulation and ground truth experimental data to design and evaluate antibody antigen interactions. Starting from early in the pandemic, we targeted SARS-CoV-2, the causative agent of COVID-19, by re-purposing neutralizing antibodies against SARS-CoV-1 that had been identified in the wake of that outbreak in the early 2000’s. We successfully re-targeted three different anti-SARS-CoV-1 antibodies to neutralize SARS-CoV-2 in vitro, where the antibodies were generated externally and tested through conventional binding and neutralization assays internally or with collaborators. As antibodies were identified from the blood of humans infected with SARS-CoV-2, we shifted to collaborate with academic partners to develop improved versions of their human-derived antibodies. This work reached its most important stage in rapid response to the emergence of the Omicron variant of concern (VOC) in late 2021. In a matter of weeks, enabled by on demand innovation to our screening pipeline, we computationally designed and experimentally characterized derivative antibodies of COV2-2130, one of two antibodies from Vanderbilt that form the basis of the AstraZeneca Evusheld prophylactic drug product. This drug product suffers a serious loss of efficacy against Omicron BA.1 and BA.1.1, the first Omicron strains. Due to tight integration of computational design and experimental evaluation, we were able to identify a pair of designs with potent neutralization of the main targets Omicron BA.1 and BA.1.1; but also the earlier Delta variant, and subsequent Omicron strains including BA.2, BA.4, BA.5, and BA.2.75, demonstrating that our multi-target design process can, by its nature, produce robust antibody designs that strictly improve over the parental antibody. These results, recognized by a 2022 Director’s Science and Technology award, have enabled the follow-on GUIDE program, to commence in FY23. While earlier design campaigns were substantially outsourced, we have engineered better and faster processes internally to better compliment, calibrate, and speed computational designs. As part of the follow-on GUIDE program, we will stand up a rapid and high-throughput antibody production and characterization facility staffed with the expertise and capabilities to foster our current collaboration across PLS and ENG as well as other partnerships toward computational design of biologics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2020

Janus: A Python Package for Agent-Based Modeling of Land Use and Land Cover Change

Janus is an open source Python package for agent-based modeling (ABM) of land use and land cover change (LULCC). Many ABMs of LULCC have been created across platforms, some of which are not ideal for large scale, high resolution scenarios. This model provides a simple object-oriented framework for creating ABMs specific to LULCC. The organizational philosophy of the modeling framework is to create software objects (agents) that are associated with specific and contextual attributes which are isolated from where those agents exist in the spatial setting of the model, yet provide clear linkages between the agent, their environment, and other agents in the simulation. In this way, the framework allows for assembly of LULCC ABMs with low (programmatic) overhead, making the models extensible and providing clear mechanisms for integrating them with process-oriented biophysical models. Provided with Janus is a suite of geospatial data preprocessing tools that can use arbitrary land cover products as an input. Crop choice decisions are based on potential crop prices, these can be created synthetically, or drawn from integrated human-Earth systems models such as the GCAM. Janus is publicly accessible through GitHub and provides an example dataset for testing.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Convex Decreasing Algorithms: Distributed Synthesis and Finite-Time Termination in Higher Dimension

Here we establish finite time termination algorithms for consensus algorithms based on geometric properties that yield finite-time guarantees, suited for use in high dimension and in the absence of a central authority. These pursuits motivate a new peer to peer convex hull algorithm which is utilized for one stopping algorithm. Further an alternative lightweight norm based stopping criteria is also developed. The practical utility of the algorithm is illustrated through MATLAB simulations.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Circular Economy Modeling Efforts at NREL: Circular Economy Lifecycle Analysis and Visualization (CELAVI) and the Circular Economy Agent-Based Model (ABM)

Circular Economy (CE) aims at decoupling human activities from economic growth and resource use. While CE economic and environmental benefits are often touted by its proponents, increased circularity and improved sustainability do not necessarily go hand-in-hand. The Circular Economy Lifecycle Assessment and Visualization (CELAVI) framework simulates the transition of renewable energy technology supply chains towards circularity and quantifies spatially explicit environmental impacts and supply chain costs. Using wind blade end-of-life (EOL) management as a case study, this presentation will highlight CELAVI's features. Furthermore, envisioned extension to the framework could improve the stakeholder decision model by accounting for logistical and other factors. The CELAVI framework could be leveraged to answer crucial questions regarding renewables EOL management.

circular economy↗
DOE OSTI2021

Impact of Blockchain Delay on Grid-Tied Solar Inverter Performance

This paper investigates the impact of the delay resulting from a blockchain, a promising security measure, for a hierarchical control system of inverters connected to the grid. The blockchain communication network is designed at the secondary control layer for resilience against cyberattacks. To represent the latency in the communication channel, a model is developed based on the complexity of the blockchain framework. Taking this model into account, this work evaluates the plant’s performance subject to communication delays, introduced by the blockchain, among the hierarchical control agents. In addition, this article considers an optimal model-based control strategy that performs the system’s internal control loop. The work shows that the blockchain’s delay size influences the convergence of the power supplied by the inverter to the reference at the point of common coupling. In the results section, real-time simulations on OPAL-RT are performed to test the resilience of two parallel inverters with increasing blockchain complexity.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2023

Reaction–Diffusion Coupling Facilitates the Sequential Precipitation of Metal Ions from Battery Feedstock Solutions

Here, the development of new technologies for chemical separations is urgently needed to meet the surging demand for critical materials that has strained resources and caused environmental challenges. Inspired by the classic Liesegang experiment, we demonstrated the separation of critical metal ions based on the coupling of ion diffusion and precipitation kinetics. For this purpose, a model feedstock solution simulating dissolved battery electrodes was placed on top of a hydrogel loaded with a precipitating agent, namely sodium hydroxide. As the lithium, manganese, cobalt, and nickel ions diffused into the gel, a gradient of precipitates formed along the length of the reactor. Elemental analysis of the spatially distributed precipitates showed the enrichment of nickel near the gel-solution interface, followed by the formation of an almost pure (>96%) manganese product further along the reactor. Optimization experiments revealed that a sodium hydroxide concentration of 10 mM and a gel/solution volume ratio of 2:1 favored efficient separations. The robustness of the method was demonstrated in four out of five feedstock compositions of typically used battery cathodes. Our proof-of-concept experiments present a paradigm for critical materials separations that does not require specialty chemicals, binding agents, membranes, or toxic solvents.

25 ENERGY STORAGE↗