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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

First Plant Cell Atlas symposium report

The Plant Cell Atlas (PCA) community hosted a virtual symposium on December 9 and 10, 2021 on single cell and spatial omics technologies. The conference gathered almost 500 academic, industry, and government leaders to identify the needs and directions of the PCA community and to explore how establishing a data synthesis center would address these needs and accelerate progress. This report details the presentations and discussions focused on the possibility of a data synthesis center for a PCA and the expected impacts of such a center on advancing science and technology globally. Community discussions focused on topics such as data analysis tools and annotation standards; computational expertise and cyber-infrastructure; modes of community organization and engagement; methods for ensuring a broad reach in the PCA community; recruitment, training, and nurturing of new talent; and the overall impact of the PCA initiative. These targeted discussions facilitated dialogue among the participants to gauge whether PCA might be a vehicle for formulating a data synthesis center. The conversations also explored how online tools can be leveraged to help broaden the reach of the PCA (i.e., online contests, virtual networking, and social media stakeholder engagement) and decrease costs of conducting research (e.g., virtual REU opportunities). Major recommendations for the future of the PCA included establishing standards, creating dashboards for easy and intuitive access to data, and engaging with a broad community of stakeholders. The discussions also identified the following as being essential to the PCA's success: identifying homologous cell-type markers and their biocuration, publishing datasets and computational pipelines, utilizing online tools for communication (such as Slack), and user-friendly data visualization and data sharing. In conclusion, the development of a data synthesis center will help the PCA community achieve these goals by providing a centralized repository for existing and new data, a platform for sharing tools, and new analytical approaches through collaborative, multidisciplinary efforts. A data synthesis center will help the PCA reach milestones, such as community-supported data evaluation metrics, accelerating plant research necessary for human and environmental health.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Formation and reconfiguration of tight multi-lane platoons

Advances in vehicular communication technologies are expected to facilitate cooperative driving in the future. Connected and Automated Vehicles (CAVs) are able to collaboratively plan and execute driving maneuvers by sharing their perceptual knowledge and future plans. In this paper, an architecture for autonomous navigation of tight multi-lane platoons traveling on public roads is presented. Using the proposed approach, CAVs are able to form single or multi-lane platoons of various geometrical configurations. They are able to reshape and adjust their configurations according to changes in the environment. The proposed architecture consists of two main components: an offline motion planner system and an online hierarchical control system. The motion planner uses an optimization-based approach for cooperative formation and reconfiguration in tight spaces. A constrained optimization scheme is used to plan smooth, dynamically feasible and collision-free trajectories for all the vehicles within the platoon. The paper addresses online computation limitations by employing a family of maneuvers precomputed offline and stored on a look-up table on the vehicles. The online hierarchical control system is composed of three levels: a traffic operation system (TOS), a decision-maker, and a path-follower. The TOS determines the desired platoon reconfiguration. The decision-maker checks the feasibility of the reconfiguration plan based on real-time information about the surrounding traffic. The reconfiguration maneuver is executed by a low-level path-following feedback controller in real-time. The effectiveness of the approach is demonstrated through simulations of three case studies: (1) formation reconfiguration (2) obstacle avoidance, and (3) benchmarking against behavior-based planning in which the desired formation is achieved using a sequence of motion primitives.

42 ENGINEERING↗
DOE OSTI2023

Climate effects of future aerosol reductions for achieving carbon neutrality in China

To limit the global warming to 1.5 °C above pre-industrial levels, beyond which the most dangerous impacts of climate change will occur, achieving carbon neutrality by the mid-21st century is essential. As the largest developing country and a significant contributor to carbon dioxide (CO 2 ) emissions, China has announced its ambitious climate commitment to pass carbon peak before 2030 and to achieve carbon neutrality by 2060. Both climate policies and regional clean air actions have been implemented for reductions in fossil fuel emissions, including the emissions of short-lived aerosols and precursors. Furthermore, in the context of pursuing carbon neutrality in China, aerosol reductions due to clean air actions and pollution control policies are very likely to have a great impact on climate. In this study, climate effects of aerosol reductions due to China's clean air actions under localized future emission scenarios are investigated using the Community Earth System Model version 1 (CESM1). Fully coupled and atmosphere-only experiments in years of carbon peak (2030) and carbon neutrality (2060) are performed with anthropogenic emissions of aerosols and precursors under “Current-goals” (Current) and “Carbon-Neutral” (Neutral) scenarios from the Dynamic Projection for Emissions in China (DPEC) model that consider socioeconomic development, climate policy, and pollution control actions (Figs. S1–S4 online). In addition, a present-day emissions simulation (PD) is conducted as the reference case (Supplementary materials online). Another sensitivity simulation is also conducted, with black carbon (BC) emissions set to follow the Neutral experiment but other emissions kept at the present-day levels (Neutral_BC), to quantify the relative roles of reducing strongly absorbing BC and other aerosols on future climate towards carbon neutrality. Greenhouse gases concentrations are kept at the 2015 levels in all simulations (Text S1 online).

Yang, Yang↗
DOE OSTI2021

POINT: Partially Observable Imitation Network for Traffic Signal Control

Smart traffic signals bring together transportation infrastructure and advance technologies to improve the mobility and efficiency of urban transportation network. Adaptive traffic signal control studies can be categorized into modeling-based approaches and learning-based approaches. In order to take advantages of these two systems, this study developed an offline-online combined Partial Observable Imitation Network for Traffic signal control (POINT). In the offline system, the traffic signal timing optimization problem was formulated as a Mixed Integer Nonlinear Programming (MINLP) given complete traffic information, i.e., second-by-second speeds and locations of all vehicles. Furthermore, the objective of MINLP is to minimize total travel delays considering individual vehicle trajectories under Connected Vehicle (CV) environment. The calculated optimal solutions under various traffic conditions were considered as the ”expert” decisions. In the online system, an imitation neural network model was developed to learn the ”expert” signal plans generated from offline system. Given partial observable traffic conditions in real time, e.g., the aggregate-level of traffic volume, the POINT model can compute the signal timing parameters in the online system. The numerical results demonstrated that the proposed method outperformed other state-of-the-art signal control method under high and unbalanced traffic demand levels in terms of reducing travel delays and queue length.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Machine learning-based discovery of vibrationally stable materials

The identification of the ground state phases of a chemical space in the convex hull analysis is a key determinant of the synthesizability of materials. Online material databases have been instrumental in exploring one aspect of the synthesizability of many materials, namely thermodynamic stability. However, the vibrational stability, which is another aspect of synthesizability, of new materials is not known. Applying first principles approaches to calculate the vibrational spectra of materials in online material databases is computationally intractable. Here, a dataset of vibrational stability for ~3100 materials is used to train a machine learning classifier that can accurately distinguish between vibrationally stable and unstable materials. This classifier has the potential to be further developed as an essential filtering tool for online material databases that can inform the material science community of the vibrational stability or instability of the materials queried in convex hulls.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mu2e DAQ and slow control systems

The Mu2e experiment at the Fermilab Muon Campus will search for the coherent neutrinoless conversion of a muon into an electron in the feld of an aluminum nucleus with a sensitivity improvement by a factor of 10,000 over existing limits. The Mu2e Trigger and Data Acquisition System (TDAQ) uses otsdaq as the online Data Acquisition System (DAQ) solution. Developed at Fermilab, otsdaq integrates both the artdaq DAQ and the art analysis frameworks for event transfer, fltering, and processing. otsdaq is an online DAQ software suite with a focus on fexibility and scalability and provides a multiuser, web-based, interface accessible through a web browser. The data stream from the detector subsystems is read by a software flter algorithm that selects events which are combined with the data fux coming from a Cosmic Ray Veto System. The Detector Control System (DCS) has been developed using the Experimental Physics and Industrial Control System (EPICS) open source platform for monitoring, controlling, alarming, and archiving. The DCS System has been integrated into otsdaq. A prototype of the TDAQ and the DCS systems has been built at Fermilab’s Feynman Computing Center. In this paper, we report on the progress of the integration of this prototype in the online otsdaq software.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Conference Report on the 7th International Symposium on Liquid metals Applications for fusion (ISLA-7)

Supported by the world magnetic fusion research community, a series of International Symposia on Liquid metals Applications for fusion (ISLA) have been held biannually since 2010. The 7th edition (ISLA-7) was held for the period from 12 December through 16 December 2022, at Chubu University located in Kasugai, Aichi, Japan. For the first time in the history of this series of symposia, ISLA-7 was held in a hybrid fashion, due to the COVID-19 situation. The total number of the participants was 60, 34 out of whom attended the symposium in person, and the rest participated online. As to the presentation statistics, 29 papers were presented in person, whereas 21 presentations were delivered online but real-time by the presenters in China, Spain, the UK, and the USA. Both of the presentations delivered in person and online were recorded, and the video has been shared by all participants. These participants represent 11 countries: China, Czech, Italy, Japan, Latvia, Netherlands, Russia, Thailand, the UK, and the USA. All these numbers are among the largest in this series of symposia. Covered by these presentations are; in session-2, program overviews and liquid metal research review; in session-3, liquid metal flows, and MHD issues; in session-4, liquid metal facilities; in sessions-5 and 6, liquid metal experiments and modeling; in session-7, divertor physics and heat flux mitigation; in session-8, plasma and liquid metals interactions; in session-9 liquid metal plasma-facing components, erosion, and wettability. In addition, there were an opening session whereby several opening addresses were delivered and also a closing session where all technical session summaries were presented by the respective session chairs.

divertor↗
DOE OSTI2023

Correction of the baseline fluctuations in the GEM-based ALICE TPC

To operate the ALICE Time Projection Chamber in continuous mode during the Run 3 and Run 4 data-taking periods of the Large Hadron Collider, the multi-wire proportional chamber-based readout was replaced with gas-electron multipliers. As expected, the detector performance is affected by the so-called common-mode effect, which leads to significant baseline fluctuations. A detailed study of the pulse shape with the new readout has revealed that it is also affected by ion tails. Since reconstruction and data compression are performed fully online, these effects must be corrected at the hardware level in the FPGA-based common readout units. The characteristics of the common-mode effect and of the ion tail, as well as the algorithms developed for their online correction, are described in this paper. The common-mode dependencies are studied using machine-learning techniques. Toy Monte Carlo simulations are performed to illustrate the importance of online corrections and to investigate the performance of the developed algorithms.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

FINETUNA: fine-tuning accelerated molecular simulations

Abstract Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomistic systems. However, simulation techniques based on first principles, such as density functional theory (DFT), are limited in their practical use due to their high computational expense. Machine learning approaches have the potential to approximate DFT in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world problems. However, they are limited by their accuracy and the cost of generating labeled data. Here, we present an online active learning framework for accelerating the simulation of atomic systems efficiently and accurately by incorporating prior physical information learned by large-scale pre-trained graph neural network models from the Open Catalyst Project. Accelerating these simulations enables useful data to be generated more cheaply, allowing better models to be trained and more atomistic systems to be screened. We also present a method of comparing local optimization techniques on the basis of both their speed and accuracy. Experiments on 30 benchmark adsorbate-catalyst systems show that our method of transfer learning to incorporate prior information from pre-trained models accelerates simulations by reducing the number of DFT calculations by 91%, while meeting an accuracy threshold of 0.02 eV 93% of the time. Finally, we demonstrate a technique for leveraging the interactive functionality built in to Vienna ab initio Simulation Package (VASP) to efficiently compute single point calculations within our online active learning framework without the significant startup costs. This allows VASP to work in tandem with our framework while requiring 75% fewer self-consistent cycles than conventional single point calculations. The online active learning implementation, and examples using the VASP interactive code, are available in the open source FINETUNA package on Github.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Indicator-directed Dynamic Power Management for Iterative Workloads on GPU-Accelerated Systems

Modern high-performance and warehouse computing centers show strong interest in minimizing system power consumption while satisfying customers’ quality of service (QoS). Dynamic voltage and frequency scaling (DVFS) is effective for achieving this goal. Nevertheless, automating the process online and making it transparent to users must address three major challenges: (1) Complexity — today’s hardware components (e.g., CPUs, GPUs, memory, network, etc.) can be configured in several or dozens of frequency/voltage states for satisfying divergent system demands. Given their combination and the emergence of heterogeneity, searching the optimal configuration in the design space online can be timing consuming. (2) QoS guarantee — user-defined objectives such as power constraint and performance target must be monitored, predicted and ensured at the best effort. (3) Adaptability — various known and unknown workloads run on systems. Workloads characteristics should be quickly determined and configurations dynamically adjusted in accord with workloads and QoS. In this work, we focus on applications exhibiting an interesting feature – iterative or periodic, which is common among conventional HPC and emerging machine learning workloads. We propose an online dynamic power-performance (ODPP) management framework to dynamically adjust GPU DVFS configurations to meet performance and power objectives and constraints, without any code annotation or intrusion. Particularly, ODPP extracts the performance and power indicators for applications from their resources utilization profiles in a short episode. It further automatically constructs an accurate model that infers from the indicators how the application's performance and power vary with GPU core and memory frequencies. Aided with the model, for both seen and unseen applications, ODPP can quickly determine the most appropriate DVFS configuration for their execution. We evaluate ODPP on an NVIDIA GPU using multiple exascale computing (ECP) and deep learning applications.

Zou, Pengfei↗
DOE OSTI2020

Towards Robustness Guarantees for Feedback-Based Optimization

Feedback-based online optimization algorithms have gained traction in recent years because of their simple implementation, their ability to reject disturbances in real time, and their increased robustness to model mismatch. While the robustness properties have been observed both in simulation and experimental results, the theoretical analysis in the literature is mostly limited to nominal conditions. In this work, we propose a framework to systematically assess the robust stability of feedback-based online optimization algorithms. We leverage tools from monotone operator theory, variational inequalities and classical robust control to obtain tractable numerical tests that guarantee robust convergence properties of online algorithms in feedback with a physical system, even in the presence of disturbances and model uncertainty. The results are illustrated via an academic example and a case study of a power distribution system.

approximation algorithms↗
DOE OSTI2024

Time-Varying Feedback Optimization for Quadratic Programs with Heterogeneous Gradient Step Sizes

Online feedback-based optimization has become a promising framework for real-time optimization and control of complex engineering systems. This tutorial paper surveys the recent advances in the field as well as provides novel convergence results for primal-dual online algorithms with heterogeneous step sizes for different elements of the gradient. The analysis is performed for quadratic programs and the approach is illustrated on applications for adaptive step-size and model-free online algorithms, in the context of optimal control of modern power systems.

gradient methods↗
DOE OSTI2021

Educating HPC Users in the use of advanced computing technology

We examine a multi-modal approach to educating and training users of an advanced computing technology testbed at the Institute for Advanced Computational Science at Stony Brook University. Ookami provides researchers worldwide with access to 176 Fujitsu A64FX compute nodes, this being the same processor technology powering the Japanese Fugaku supercomputer, the fastest computer in the world since June 2020. However, achieving high-performance on this Arm-based, leadership computing technology requires that users be familiar with details of computer architecture, performance analysis and modeling, and high-performance programming models that are commonly omitted in introductory programming courses. Indeed, regardless of their seniority, many of the testbed users are surprisingly unfamiliar with basic concepts such as vectorization, pipelining, latency/bandwidth, roofline models, computing energy/power, threads, and non-uniform memory access. These same concepts also pervade mainstream x86 technologies, so this is of widespread concern. Due to the national/global nature of our user community that is also very diverse in both discipline and experience, the inability to offer formal classes, and our experience that most people do not tend to read online documentation or training materials in sufficient depth, we have consciously employed multiple approaches that heavily emphasize (online) personal interactions and transfer of skills. Online documentation has been organized around best-practices and FAQs; twice-weekly hackathons and office hours via Zoom enable deep dives by both the team and the user community with multiple broad benefits; a Slack channel provides both real time and archived answers and discussions; and workshops, training and webinars target community needs as they arise. Furthermore, the perspective that these tools are being used in an educational setting rather than just for project communication makes them more effective and contributes to community success.

A64FX↗
DOE OSTI2021

User Role Identification in Software Vulnerability Discussions over Social Networks

Understanding and early awareness of software vulnerabilities is vital for preventing and mitigating potential impacts from cybersecurity events. One step toward early characterization of software vulnerabilities may involve analyzing discussion and spread of information in online social networks. Prior work has used information from such discussions over multiple online forums to develop dynamic networks among users followed by analysis of structure, spread, and information evolution. In this work, we advance the state-of-the-art by focusing on data-driven learning of types, roles, and transition of roles exhibited by users over time. In social networks, users take on particular roles based on their actions and structure of the network. Identifying “meaningful” roles can help separate potential users of interest from the larger community, and identify patterns in a network. We will identify and compare roles found in online forums (e.g., Twitter) using techniques such as feature-based Non-negative Matrix Factorization coupled with topological and influence-based measures of centrality. Since users’ activities change over time, we also analyze role evolution in dynamic networks.

Jones, Rebecca D.↗
DOE OSTI2021

Prototype Data Acquisition and Slow Control Systems for the Mu2e Experiment

The Mu2e experiment at the Fermilab Muon Campus will search for the coherent neutrinoless conversion of a muon into an electron in the field of an aluminum nucleus with a sensitivity improvement by a factor of 10 000 over existing limits. Such a charged lepton flavor-violating reaction probes new physics at a scale unavailable with direct searches at either present or planned high-energy colliders. The Mu2e Trigger and Data Acquisition (TDAQ) system exploits otsdaq as its online Data Acquisition System (DAQ) solution. Furthermore, developed at Fermilab, otsdaq integrates both the artdaq DAQ and the art analysis frameworks for event transfer, filtering, and processing. otsdaq is an online DAQ software suite with a focus on flexibility and scalability and provides a multi-user, web-based, interface accessible through a web browser. The read out controllers (ROCs) stream out zero-suppressed data continuously from the detector subsystems to the data transfer controllers (DTCs). The data stream is then read over the peripheral component interconnect express (PCIe) bus to a software filter algorithm that selects events which are combined with the data flux coming from a cosmic-ray veto (CRV) system. The detector control system (DCS) has been developed using the experimental physics and industrial control system (EPICS) open source platform for monitoring, controlling, alarming, and archiving. The DCS has been integrated into otsdaq. A prototype of the TDAQ system and the DCS has been built at Fermilab's Feynman Computing Center. In this article, we report on the progress of the integration of this prototype in the online otsdaq software.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Anomaly Detection, Localization and Classification using Drifting Synchrophasor Data Streams

With ongoing automation and digitization of the electric power system, several Phasor Measurement Units(PMUs) have been deployed for monitoring and control. PMU data can have multiple anomalies, and many of the researchers in the past have concentrated on training machine/deep learning algorithms offline for anomaly detection over PMU data (i.e., not in real time). These machine/deep learning algorithms, when trained offline on a sample rather than a population of the dataset, fail to consider the dynamic behavior of the power grid in real-time, resulting in low accuracy. Considering the dynamic behavior of the power grid (e.g., change in load, generation, distributed energy resources (DERs) switching, network, controls), the definition of data anomalies varies in time and requires online training. A fundamental challenge is to enable online (i.e., real-time) training of machine/deep learning algorithms for anomaly detection over streaming PMU data. While machine/deep learning is often desirable to manage data streams, training a deep learning algorithm over streaming PMU data is nontrivial due to changes in data statistics caused by dynamic streaming data. This paper proposes PMUNET: a novel device-level deep learning-based data-driven approach for anomaly detection, localization, and classification over streaming PMU data, using online learning and multivariate data-drift detection algorithm .Two variants of PMUNET, Dynamic data Change Driven Learning (DCDL) and Continuity Driven Learning (CDL), are proposed and compared. DCDL aims to train the deep learning algorithm whenever the definition of anomaly changes due to the power grid dynamics. On the other hand, CDL continuously trains the deep learning algorithm over the PMU data-stream. The experimental results verify that DCDL outperforms CDL and other efficient anomaly detection methods over multiple events such as faults and load/ generator/capacitor/DERs variations/switching for IEEE 14 and 39 Bus test system as well as real PMU industrial data. The result verifies that DCDL variant of PMUNET improves over existing approach with a gain of 2% - 10% in terms of accuracy, false-positive rate, and false-negative rate.

adversarial deep learning↗
DOE OSTI2022

Deep Reinforcement Learning From Demonstrations to Assist Service Restoration in Islanded Microgrids

Microgrids can be operated in island mode during utility grid outages to support service restoration and improve system resilience. To schedule and dispatch distributed energy resources (DERs) in an islanded microgrid, conventional model-based methods rely on accurate distribution network models and lack generalization and adaptability. Data-driven methods are promising for DER coordination but face practical challenges such as potential hazards to microgrids during online training and insufficient online training opportunities due to low outage rates. This paper presents a novel two-stage learning framework that builds on the deep deterministic policy gradient from demonstrations to identify an optimal restoration strategy. At the pre-training stage, imitation learning is applied to equip the control agent with expert experiences to guarantee acceptable initial performance. At the online training stage, action clipping, reward shaping, and expert demonstrations are leveraged to ensure safe exploration while accelerating the training process. In conclusion, the proposed method is illustrated using the IEEE 123-node system and compared with a representative model-based method and the standard deep deterministic policy gradient method to prove solution accuracy and demonstrate increased computational efficiency.

Du, Yan↗
DOE OSTI2020

Development of Real-Time System Identification to Detect Abnormal Operations in a Gas Turbine Cycle

Here, we present a novel online system identification methodology for monitoring the performance of power systems. This methodology was demonstrated in a gas turbine recuperated power plant designed for a hybrid configuration. A 120-kW Garrett microturbine modified to test dynamic control strategies for hybrid power systems designed at the National Energy Technology Laboratory (NETL) was used to implement and validate this online system identification methodology. The main component of this methodology consists of an empirical transfer function model implemented in parallel to the turbine speed operation and the fuel control valve, which can monitor the process response of the gas turbine system while it is operating. During fully closed-loop operations or automated control, the output of the controller, fuel valve position, and the turbine speed measurements were fed for a given period of time to a recursive algorithm that determined the transfer function parameters during the nominal condition. After the new parameters were calculated, they were fed into the transfer function model for online prediction. The turbine speed measurement was compared against the transfer function prediction, and a control logic was implemented to capture when the system operated at nominal or abnormal conditions. To validate the ability to detect abnormal conditions during dynamic operations, drifting in the performance of the gas turbine system was evaluated. A leak in the turbomachinery working fluid was emulated by bleeding 10% of the airflow from the compressor discharge to the atmosphere, and electrical load steps were performed before and after the leak. This tool could detect the leak 7 s after it had occurred, which accounted for a fuel flow increase of approximately 15.8% to maintain the same load and constant turbine speed operations.

algorithms↗