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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 451 records · Page 25

Towards in-situ certification of additively manufactured parts: the vital roles of physics-based and data-driven models

Certifying additively manufactured (AM) parts in-situ at the completion of a build is an enticing prospect, as it can help reduce the high costs associated with post-build testing and evaluation. However, achieving this goal presents significant challenges that may keep it aspirational for the foreseeable future. Nonetheless, incremental progress can pave the way forward. A critical aspect of in-situ certification involves continuous quality checking due to the random nature of the AM process and the difficulties in detecting defects or anomalies once layers are built over. While real-time in-situ monitoring strategies assisted by machine learning (ML) play a pivotal role in auditing part quality, they must ideally be supported by real-time (or near real-time) adaptive process control enabled by ML-assisted decision-making. By analyzing in-situ monitoring data in real-time (or near real- time) to dynamically adjust manufacturing parameters, such intervention can ensure AM parts are built to meet stringent certification standards. This can be achieved virtually by using high-fidelity performance models for the physical testing and evaluation tasks. In this short editorial, we discuss the key contributions made by data-driven and physics-based models in providing intelligence to the monitoring and process control tasks underpinning in-situ certification and in the simulation of the build’s performance under test and service conditions. While our focus lies in metal AM, the concepts discussed here are also relevant to other AM processes.

: In-situ monitoring↗

Utilizing a Virtual Sodium-Cooled Fast Reactor Digital Twin to Aid in Diversion Pathway Analysis for International Safeguards Applications

We report digital twin technology has the potential to improve the effectiveness of international safeguards inspectors by providing a tool which can: first, perform an accurate diversion path analysis, identify their indicators, and required sensors to detect them; and second, monitor facilities in real-time using critical data streams that benefit from this safeguards-by-design approach. Safeguards inspectors are required to visit facilities and verify the nuclear material to ensure no diversion has taken place and detect misuse of the facility; however, this analysis and verification effort is time consuming, and with limited funding it is imperative that time spent at a nuclear facility is focused on key areas. A virtual digital twin of three prototypic sodium fast reactors was developed, where diversion and misuse scenarios were explored to determine how a digital twin could provide inspectors with an understanding of how proliferation may occur and where the most likely areas for proliferation would be. For each of the three reactors, an optimization algorithm was able to find core designs which would be difficult to detect via sensors alone; however, the use of a machine learning adapter provided by the digital twin was able to show general trends in where proliferation as likely to take place.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Designing Remote Monitoring for Smart Manufacturing Facilities: Hazard Identification and Classification

This study investigates the process of hazard identification in complex manufacturing environments during the design phase, emphasizing the significance of the design process in developing designs that effectively mitigate hazards in contexts with numerous variables, such as a variety of machines, sensors, actuators, and agents. Through a mixed-methods approach, the objective of this work is to understand how the evolution of design outcomes across various stages might influence a designer’s ability to recognize both standard and novel hazards. To achieve this understanding, an experimental design task was conducted with six designers from a national lab specializing in manufacturing technologies. This approach combined qualitative and quantitative data analysis from a one-hour virtual session with participants. Findings suggest that the complexity of identifying hazards in a high-dimensional design space is challenging within a limited time frame and that the identification of hazards is significantly influenced by the stage of the design task and the initial design decisions, indicating the need for extended time and strategic initial planning in the design process to enhance hazard identification.

Ballestas, Caseysimone↗

Summary of the IAEA technical meeting on plasma disruptions and their mitigation

Here we summarize the contributions presented at the IAEA technical meeting on plasma disruptions and their mitigation, held virtually, 20–23 July 2020. The meeting brought together more than 120 experts from nuclear fusion research sites worldwide to discuss experimental, theoretical and modelling work in the field of plasma disruptions with special emphasis on developing a solid basis for possible disruption mitigation strategies in ITER and next generation fusion devices. The main topics of the meeting were: (i) disruption consequences, including electromagnetic loads, heat loads, and runaway electrons; (ii) disruption prediction and avoidance, including machine learning and physics-based approaches, and control aspects; and (iii) disruption mitigation, including shattered pellet injection, alternative techniques and general aspects of disruption mitigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Bulk Power System Dynamics with Varying Levels of Synchronous Generators and Grid-Forming Power Inverters

Inverters using phase-locked loops for control depend on voltages generated by synchronous machines to operate. This might be problematic if much of the conventional generation fleet is displaced by inverters. To solve this problem, grid-forming control for inverters has been proposed as being capable of autonomously regulating grid voltages and frequency. Presently, the performance of bulk power systems with massive penetration of grid-forming inverters has not been thoroughly studied as to elucidate benefits. Hence, this paper presents inverter models with two grid-forming strategies: virtual oscillator control and droop control. The two models are specifically developed to be used in positive-sequence simulation packages and have been implemented in PSLF. The implementations are used to study the performance of bulk power grids incorporating inverters with gridforming capability. Specifically, simulations are conducted on a modified IEEE 39-bus test system and the microWECC test system with varying levels of synchronous and inverter-based generation. The dynamic performance of the tested systems with gridforming inverters during contingency events is better than cases with only synchronous generation.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Physics-informed, empirically constrained machine learning for designing Fe-9Cr alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Materials data analytics can be used to significantly shorten development time of specialized alloys needed for next generation energy applications. Incorporation of the domain knowledge into deep-learning graph structure via fuzzy pre-training and causal process imitation presents a viable approach to developing accurate data-driven models and reliable alloy design tools, with limited datasets. It was demonstrated that the domain knowledge-based empirical constraints not only inhibit overfitting but also allow training more accurate and reliable ML models with improved transparency of the output interpretation. In this study, alloy tensile properties were interpreted with three competing virtual-microstructure models.</span>

Romanov, Vyacheslav↗

Integrated data-driven and experimental approaches to accelerate lead optimization targeting SARS-CoV- 2 main protease

Identification of potential therapeutic candidates can be expedited by integrating computational modeling with domain aware machine learning (ML) approaches followed by experimental validation. Generative deep learning models have been recently developed that can generate thousands of new candidates, but their physiochemical properties are typically not optimized. Using our deep learning models and a scaffold as a starting point, we generated tens of thousands of compounds for SARS-CoV-2 M pro that preserve the core scaffold. Here we utilized and implemented several computational tools such as structural alert and toxicity analysis, high throughput virtual screening, ML-based 3D quantitative structure–activity relationships, multi-parameter optimization, and graph neural networks on libraries of generated candidates to predict biological activity and binding affinity a priori. From these collective computational results, eight promising candidates were identified and tested experimentally using Native Mass Spectrometry (MS) and FRET-based functional assays. Two compounds, with quinazoline-2-thiol and acetylpiperidine core moiety showed IC 50 values in the low micromolar range: 2.95±0.0017 µM and 3.41±0.0015 µM, respectively. The molecular dynamics simulations further highlight that binding of these compounds results in allosteric modulations in the chain B and the interface domains of the M pro . The key fragments from these top hits can be used as input for closed loop lead optimization in the integrated pipeline.

60 APPLIED LIFE SCIENCES↗

Operator vision aids for space teleoperation assembly and servicing

This paper investigates concepts for visual operator aids required for effective telerobotic control. Operator visual aids, as defined here, mean any operational enhancement that improves man-machine control through the visual system. These concepts were derived as part of a study of vision issues for space teleoperation. Extensive literature on teleoperation, robotics, and human factors was surveyed to definitively specify appropriate requirements. This paper presents these visual aids in three general categories of camera/lighting functions, display enhancements, and operator cues. In the area of camera/lighting functions concepts are discussed for: (1) automatic end effector or task tracking; (2) novel camera designs; (3) computer-generated virtual camera views; (4) computer assisted camera/lighting placement; and (5) voice control. In the technology area of display aids, concepts are presented for: (1) zone displays, such as imminent collision or indexing limits; (2) predictive displays for temporal and spatial location; (3) stimulus-response reconciliation displays; (4) graphical display of depth cues such as 2-D symbolic depth, virtual views, and perspective depth; and (5) view enhancements through image processing and symbolic representations. Finally, operator visual cues (e.g., targets) that help identify size, distance, shape, orientation and location are discussed.

Brooks, Thurston L.↗

Surface acquisition through virtual milling

Surface acquisition deals with the reconstruction of three dimensional objects from a set of data points. The most straightforward techniques require human intervention, a time consuming proposition. It is desirable to develop a fully automated alternative. Such a method is proposed in this paper. It makes use of surface measurements obtained from a 3-D laser digitizer - an instrument which provides the (x,y,z) coordinates of surface data points from various viewpoints. These points are assembled into several partial surfaces using a visibility constraint and a 2-D triangulation technique. Reconstruction of the final object requires merging these partial surfaces. This is accomplished through a procedure that emulates milling, a standard machining operation. From a geometrical standpoint the problem reduces to constructing the intersection of two or more non-convex polyhedra.

Marshal L Merriam↗

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗

Co-Simulation of Electric Power Distribution Systems and Buildings including Ultra-Fast HVAC Models and Optimal DER Control

Smart homes and virtual power plant (VPP) controls are growing fields of research with potential for improved electric power grid operation. A novel testbed for the co-simulation of electric power distribution systems and distributed energy resources (DERs) is employed to evaluate VPP scenarios and propose an optimization procedure. DERs of specific interest include behind-the-meter (BTM) solar photovoltaic (PV) systems as well as heating, ventilation, and air-conditioning (HVAC) systems. The simulation of HVAC systems is enabled by a machine learning procedure that produces ultra-fast models for electric power and indoor temperature of associated buildings that are up to 133 times faster than typical white-box implementations. Hundreds of these models, each with different properties, are randomly populated into a modified IEEE 123-bus test system to represent a typical U.S. community. Advanced VPP controls are developed based on the Consumer Technology Association (CTA) 2045 standard to leverage HVAC systems as generalized energy storage (GES) such that BTM solar PV is better utilized locally and occurrences of distribution system power peaks are reduced, while also maintaining occupant thermal comfort. An optimization is performed to determine the best control settings for targeted peak power and total daily energy increase minimization with example peak load reductions of 25+%.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Secure Autonomous Automated Scheduling (SAAS)

This report describes network-centric operations, where a virtual mission operations center autonomously receives sensor triggers, and schedules space and ground assets using Internet-based technologies and service-oriented architectures. For proof-of-concept purposes, sensor triggers are received from the United States Geological Survey (USGS) to determine targets for space-based sensors. The Surrey Satellite Technology Limited (SSTL) Disaster Monitoring Constellation satellite, the UK-DMC, is used as the space-based sensor. The UK-DMC's availability is determined via machine-to-machine communications using SSTL's mission planning system. Access to/from the UK-DMC for tasking and sensor data is via SSTL's and Universal Space Network's (USN) ground assets. The availability and scheduling of USN's assets can also be performed autonomously via machine-to-machine communications. All communication, both on the ground and between ground and space, uses open Internet standards

Walke, Jon G.↗

Towards Generic Parallel Programming in Computer Science Education with Kokkos

Parallel patterns, views, and spaces are promising abstractions to capture the programmer's intent as well as the contextual information that can be used by an underlying runtime to efficiently map software to parallel hardware. These abstractions can be valuable in cases where an algorithm must accommodate requirements of code and performance portability across hardware architectures and vendor programming models. Kokkos is a parallel programming model for host- and accelerator architectures that relies on these abstractions and targets these requirements. It consists of a pure C++ interface, a specification, and a programming library. The programming library exposes patterns and types and maps them to an underlying abstract machine model. The abstract machine model offers a generic view of parallel hardware. While Kokkos is gaining popularity in large-scale HPC applications at some DOE laboratories, we believe that the implemented concepts are of interest to a broader audience including academia as they may contribute to a generic, vendor, and architecture-independent education of parallel programming. In this work, we give an insight into the design considerations of this programming model and list important abstractions. Further, we document best practices obtained from giving virtual classes on Kokkos and give pointers to resources that the reader may consider valuable for a lecture on generic parallel programming for students with preexisting knowledge on this matter.

Ciesko, Jan↗

Extended Frequency Divider for Bus Frequency Estimation Considering Virtual Inertia from DFIGs

Accurate estimation of local bus frequency is important for effectively controlling both synchronous and nonsynchronous generators. As the power grid evolves to accommodate essential reliability services such as virtual inertia from nonsynchronous generators, conventional techniques to estimate frequency face challenges. This paper proposes a new frequency estimation method that can effectively include the inertia contributions from double-fed wind generators (DFIGs). This is achieved through the proposed extended frequency divider formula (FDF) to include the contributions of DFIGs via Thevenin equivalents. The proposed extended FDF does not suffer from numerical issues as compared to existing phasor angle derivative-based approaches. Moreover, the knowledge of the rotor speeds of the synchronous machine and DFIGs as well as of the network admittance matrix allows estimating the frequencies of all buses in the grid, thereby significantly improving system situational awareness with a limited number of measurements. Numerical results on the IEEE 39-bus power system with DFIGs show that the proposed method achieves more accurate bus frequency estimations than the original FDF formula and other approaches based on the numerical derivation of the bus voltage phase angles.

double-fed induction generator↗

Upcoming Lunar Mission Landing Sites: Viewing and Analysis with Celestial Mapping System

The Celestial Mapping System (CMS) is a powerful software platform designed to create virtual 3D globes for celestial bodies within our solar system, with a specific focus on lunar mapping. CMS offers a rich array of functionalities, including high-resolution imagery visualization, precise measurement tools, and analytical capabilities that cater to the needs of planetary scientists and mission planners. This abstract explores how CMS has been leveraged to conduct in-depth analyses of 12 lunar missions to the South Pole, including missions like Chandraayan 3, Russian Space Agency's Luna 25, Xelene 1, and Intuitive Machines Nova-C lander I. Moreover, the integration of HORUS (Hyper-effective nOise Removal Unit Software) into CMS enhances its capabilities, allowing for the rendering of images in a 3D globe format and providing visibility into permanently shadowed regions. CMS represents a cutting-edge tool for lunar surface awareness, equipment placement planning, and traverse path optimization

Moon↗

Virtual Mission Operations of Remote Sensors With Rapid Access To and From Space

This paper describes network-centric operations, where a virtual mission operations center autonomously receives sensor triggers, and schedules space and ground assets using Internet-based technologies and service-oriented architectures. For proof-of-concept purposes, sensor triggers are received from the United States Geological Survey (USGS) to determine targets for space-based sensors. The Surrey Satellite Technology Limited (SSTL) Disaster Monitoring Constellation satellite, the United Kingdom Disaster Monitoring Constellation (UK-DMC), is used as the space-based sensor. The UK-DMC s availability is determined via machine-to-machine communications using SSTL s mission planning system. Access to/from the UK-DMC for tasking and sensor data is via SSTL s and Universal Space Network s (USN) ground assets. The availability and scheduling of USN s assets can also be performed autonomously via machine-to-machine communications. All communication, both on the ground and between ground and space, uses open Internet standards.

Ivancic, William D.↗

Dominant takeover regimes for genetic algorithms

The genetic algorithm (GA) is a machine-based optimization routine which connects evolutionary learning to natural genetic laws. The present work addresses the problem of obtaining the dominant takeover regimes in the GA dynamics. Estimated GA run times are computed for slow and fast convergence in the limits of high and low fitness ratios. Using Euler's device for obtaining partial sums in closed forms, the result relaxes the previously held requirements for long time limits. Analytical solution reveal that appropriately accelerated regimes can mark the ascendancy of the most fit solution. In virtually all cases, the weak (logarithmic) dependence of convergence time on problem size demonstrates the potential for the GA to solve large N-P complete problems.

Noever, David↗

High Energy Physics Network Requirements Review (Final Report, July-October 2020)

Throughout 2020, ESnet and the Office of High Energy Physics (HEP) of the DOE SC organized an ESnet requirements review of HEP-supported activities. Preparation for this event included identification of key stakeholders: program and facility management, research groups, technology providers, and a number of external observers. These individuals were asked to prepare formal case study documents about their relationship to the HEP program to build a complete understanding of the current, near-term, and long-term status, expectations, and processes that will support the science going forward. A series of pre-planning meetings better prepared case study authors for this task, along with guidance on how the review would proceed in a virtual fashion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗