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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 289 records · Page 16

Towards a Standard Process Management Infrastructure for Workflows Using Python

Orchestrating the execution of ensembles of processes lies at the core of scientific workflow engines on large scale parallel platforms. This is usually handled using platform-specific command line tools, with limited process management control and potential strain on system resources. The PMIx standard provides a uniform interface to system resources. The low level C implementation of PMIx has hampered its use in workflow engines, leading to the development of Python binding that has yet to gain traction. In this paper, we present our work to harden the PMIx Python client, demonstrating its usability using a prototype Python driver to orchestrate the execution of an ensemble of processes. We present experimental results using the prototype on the Summit supercomputer at Oak Ridge National Laboratory. This work lays the foundation for wider adoption of PMIx for workflow engines, and encourages wider support of more PMIx functionality in vendor provided system software stacks.

Elwasif, Wael↗

Simultaneous Independent Control of Tool Axial Force and Temperature in Friction Stir Processing

Maintaining consistent tool depth relative to the part surface is a critical requirement for many Friction stir processing (FSP) applications. Force control is often used with the goal of obtaining a constant weld depth. When force control is used, if weld temperature decreases, flow stress increases and the tool is pushed up. If weld temperature increases, flow stress decreases and the tool dives. These variations in tool depth and weld temperature cause various types of weld defects. Robust temperature control for FSP maintains a commanded temperature through control of the spindle axis only. Robust temperature control and force control are completely decoupled in control logic and machine motion. This results in stable temperature, force and tool depth despite the presence of geometric and thermal disturbances. Performance of this control method is presented for various weld paths and alloy systems.

force control↗

A New Vision for Fusion Energy Research: Fusion Rocket Engines for Planetary Defense

Abstract We argue that it is essential for the fusion energy program to identify an imagination-capturing critical mission by developing a unique product which could command the marketplace. We lay out the logic that this product is a fusion rocket engine, to enable a rapid response capable of deflecting an incoming comet, to prevent its impact on the planet Earth, in defense of our population, infrastructure, and civilization. As a side benefit, deep space solar system exploration, with greater speed and orders-of-magnitude greater payload mass would also be possible.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Extrusion parameter control optimization for DIW 3D printing using image analysis techniques

Material extrusion is a well-recognized facet of additive manufacturing that involves the fabrication of parts through the deposition of structural material from an extrusion head from a bulk supply. In the subdivision of Direct Ink Writing (DIW) additive manufacturing, challenges arise when the structural material is flowable, synchronous extrusion control and tool movement becomes critical for achieving high-quality parts with low defect populations. DIW techniques are most used in laboratory settings using expensive custom instruments and may require specialized 3D slicing software. Here, in this study, the fabrication of an inexpensive, consumer-friendly progressive cavity pump dispensing system is detailed, in which can create high-quality parts by executing G-code commands produced from a commercial slicing software. The precision and repeatability of the movement-synchronized material extrusion is demonstrated through a series of optimization schemes, entailing the alteration of various control parameters, which directly affect the extrusion properties demonstrated during a print. In situ diagnostics were implemented to evaluate the results of the established optimization experiment. Using a machine vision technique, images of the optimization prints are processed. Following this, a supervised machine learning model was trained to autonomously judge whether or not the extrusion parameters produced a passing or failing result. The machine learning scheme serves as a preliminary benchmark for future layer-by-layer evaluation of more complex DIW parts. The construction of the printer and development of in situ characterization capabilities demonstrates the ability for this printer to create high-fidelity DIW parts for a fraction of the price of other systems.

42 ENGINEERING↗

Planar slicing for nonextrusion AM processes

Extrusion-based AM processes, including material extrusion and directed energy deposition, construct objects by continuously depositing a relatively small amount of molten feedstock to a specific location. Nonextrusion AM processes, on the other hand, tend to form each layer by linearly or areally projecting either energy onto a vat of photocurable liquid or a binding agent into a bed of loose powder. Such systems vary significantly from extrusion-based AM processes but do share similarities. The general approach to path planning is the same, but nonextrusion processes typically favor the use of bitmap representations, instead of polygons, for pathing computation and do not use a g-code file to command the printer. In this chapter, a high-level discussion of these differences will be covered.

Macdonald, Eric↗

Reinforcement Learning for feedback-enabled cyber resilience

The rapid growth in the number of devices and their connectivity has enlarged the attack surface and made cyber systems more vulnerable. As attackers become increasingly sophisticated and resourceful, mere reliance on traditional cyber protection, such as intrusion detection, firewalls, and encryption, is insufficient to secure the cyber systems. Cyber resilience provides a new security paradigm that complements inadequate protection with resilience mechanisms. A Cyber-Resilient Mechanism (CRM) adapts to the known or zero-day threats and uncertainties in real-time and strategically responds to them to maintain the critical functions of the cyber systems in the event of successful attacks. Feedback architectures play a pivotal role in enabling the online sensing, reasoning, and actuation process of the CRM. Reinforcement Learning (RL) is an important gathering of algorithms that epitomize the feedback architectures for cyber resilience. It allows the CRM to provide dynamic and sequential responses to attacks with limited or without prior knowledge of the environment and the attacker. In this work, we review the literature on RL for cyber resilience and discuss the cyber-resilient defenses against three major types of vulnerabilities, i.e., posture-related, information-related, and human-related vulnerabilities. Here we introduce moving target defense, defensive cyber deception, and assistive human security technologies as three application domains of CRMs to elaborate on their designs. The RL algorithms also have vulnerabilities themselves. We explain the major vulnerabilities of RL and present develop several attack models where the attacker target the information exchanged between the environment and the agent: the rewards, the state observations, and the action commands. We show that the attacker can trick the RL agent into learning a nefarious policy with minimum attacking effort. The paper introduces several defense methods to secure the RL-enabled systems from these attacks. However, there is still a lack of works that focuses on the defensive mechanisms for RL-enabled systems. Last but not least, we discuss the future challenges of RL for cyber security and resilience and emerging applications of RL-based CRMs.

97 MATHEMATICS AND COMPUTING↗

Coupling LaGrit unstructured mesh generation and model setup with TOUGH2 flow and transport: A case study

Furthermore, there are many applications in science and engineering modeling where an accurate representation of a complex model geometry in the form of a mesh is important. In applications of flow and transport in subsurface porous media, this is manifest in models that must capture complex geologic stratigraphy, structure (faults, folds, erosion, deposition) and infrastructure (tunnels, boreholes, excavations). Model setup, defined as the activities of geometry definition, mesh generation (creation, optimization, modification, refine, de-refine, smooth), assigning material properties, initial conditions and boundary conditions requires specialized software tools to automate and streamline the process. In addition, some model setup tools will provide more utility if they are designed to interface with and meet the needs of a particular flow and transport software suite. A control volume discretization that uses a two point flux approximation is for example most accurate when the underlying control volumes are 2D or 3D Voronoi tessellations. In this paper we will present the coupling of LaGriT, a mesh generation and model setup software suite and TOUGH2 to model subsurface flow problems and we show an example of how LaGriT can be used as a model setup tool for the generation of a Voronoi mesh for the simulation program TOUGH2. To generate the MESH file for TOUGH2 from the LaGriT output a standalone module Lagrit2Tough2 was developed, which is presented here and will be included in a future release of LaGriT. Here in this paper an alternative method to generate a Voronoi mesh for TOUGH2 with LaGriT is presented and thanks to the modular and command based structure of LaGriT this method is well suited to generating a mesh for complex models.

58 GEOSCIENCES↗

Aimsgb: An algorithm and open-source python library to generate periodic grain boundary structures

An algorithm implemented in an open-source python library was developed for building periodic grain boundary models in a universal fashion. The software framework, aimsgb, aims to generate tilt and twist grain boundaries from an input cubic or non-cubic crystal structure for ab-initio and classical atomistic simulation. It can output a coincidence site lattice (CSL) grain boundary for a cubic input structure and a non-CSL grain boundary for a non-cubic input structure. This framework has two useful features: (i) it can calculate all the CSL matrices for generating CSL from a given Sigma (Σ) value and rotation axis, allowing the users to build the specific CSL and grain boundary models; (ii) it provides a convenient command line tool to enable high-throughput generation of tilt and twist grain boundaries by assigning an input crystal structure, Σ value, rotation axis, and grain boundary plane. Here, the developed algorithm in the open-source python library is expected to facilitate studies of grain boundary in materials science. The software framework is available on the website: aimsgb.org.

97 MATHEMATICS AND COMPUTING↗

Design of a graphical user interface for few-shot machine learning classification of electron microscopy data

The recent growth in data generation by modern electron microscopes requires rapid, scalable, and flexible approaches to image segmentation and analysis. Few-shot machine learning, which can richly classify images from a handful of user-provided examples, is a promising route to high-throughput analysis. However, current command-line implementations of such approaches can be slow and unintuitive to use, lacking the real-time feedback necessary to perform effective classification. Here we report on the development of a Python-based graphical user interface that enables end users to easily conduct and visualize the output of few-shot learning models. This interface is portable and can be hosted locally or on the web, providing the opportunity to reproducibly conduct, share, and crowd-source few-shot analyses.

97 MATHEMATICS AND COMPUTING↗

PyProcar: A Python library for electronic structure pre/post-processing

The PyProcar Python package plots the band structure and the Fermi surface as a function of site and/or s,p,d,f - projected wavefunctions obtained for each k-point in the Brillouin zone and band in an electronic structure calculation. This can be performed on top of any electronic structure code, as long as the band and projection information is written in the PROCAR format, as done by the VASP and ABINIT codes. PyProcar can be easily modified to read other formats as well. This package is particularly suitable for understanding atomic effects into the band structure, Fermi surface, spin texture, etc. PyProcar can be conveniently used in a command line mode, where each one of the parameters define a plot property. In the case of Fermi surfaces, the package is able to plot the surface with colors depending on other properties such as the electron velocity or spin projection. Furthermore, the mesh used to calculate the property does not need to be the same as the one used to obtain the Fermi surface. A file with a specific property evaluated for each k-point in a k-mesh and for each band can be used to project other properties such as electron–phonon mean path, Fermi velocity, electron effective mass, etc. Another existing feature refers to the band unfolding of supercell calculations into predefined unit cells.

97 MATHEMATICS AND COMPUTING↗

AIMSim : An accessible cheminformatics platform for similarity operations on chemicals datasets

The recent advances in deep learning, generative modeling, and statistical learning have ushered in a renewed interest in traditional cheminformatics tools and methods. Quantifying molecular similarity is essential in molecular generative modeling, exploratory molecular synthesis campaigns, and drug-discovery applications to assess how new molecules differ from existing ones. Further, most tools target advanced users and lack general implementations accessible to the larger community. In this work, we introduce Artificial Intelligence Molecular Similarity (AIMSim), an accessible cheminformatics platform for performing similarity operations on collections of molecules called molecular datasets. AIMSim provides a unified platform to perform similarity-based tasks on molecular datasets, such as diversity quantification, outlier and novelty analysis, clustering, dimensionality reduction, and inter-molecular comparisons. AIMSim implements all major binary similarity metrics and molecular fingerprints and is provided as a Python package that includes support for command-line use as well as a Graphical User Interface for code-free utilization with fully interactive plots.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Environmental vulnerability assessment using Grey Analytic Hierarchy Process based model

Environmental management of an area describes a policy for its systematic and sustainable environmental protection. In the present study, regional environmental vulnerability assessment in Hirakud command area of Odisha, India is envisaged based on Grey Analytic Hierarchy Process method (Grey–AHP) using integrated remote sensing (RS) and geographic information system (GIS) techniques. Grey–AHP combines the advantages of classical analytic hierarchy process (AHP) and grey clustering method for accurate estimation of weight coefficients. It is a new method for environmental vulnerability assessment. Environmental vulnerability index (EVI) uses natural, environmental and human impact related factors, e.g., soil, geology, elevation, slope, rainfall, temperature, wind speed, normalized difference vegetation index, drainage density, crop intensity, agricultural DRASTIC value, population density and road density. EVI map has been classified into four environmental vulnerability zones (EVZs) namely: ‘low’, ‘moderate’ ‘high’, and ‘extreme’ encompassing 17.87%, 44.44%, 27.81% and 9.88% of the study area, respectively. EVI map indicates that the northern part of the study area is more vulnerable from an environmental point of view. EVI map shows close correlation with elevation. Effectiveness of the zone classification is evaluated by using grey clustering method. General effectiveness is in between “better” and “common classes”. This analysis demonstrates the potential applicability of the methodology. - Highlights: • Environmental vulnerability zone identification based on Grey Analytic Hierarchy Process (AHP) • The effectiveness evaluation by means of a grey clustering method with support from AHP • Use of grey approach eliminates the excessive dependency on the experience of experts.

54 ENVIRONMENTAL SCIENCES↗

Emulation and detection of physical faults and cyber-attacks on building energy systems through real-time hardware-in-the-loop experiments

The increasing use of remote or mobile access, integrated wearable technologies, data exchange, and cloud-based data analytics in modern smart buildings is steering the building industry towards open communication technologies. The increased connectivity and accessibility could lead to more cyber-attacks in smart buildings. On the other hand, physical faults (e.g., HVAC -heating, ventilation, and air-conditioning faults) may have similar adverse impacts as those from the cyber-attacks on building energy systems, such as occupant discomfort, energy wastage, and equipment downtime. However, current physical behavior-based anomaly detection methods fail to differentiate between cyber-attacks and physical faults in building energy systems. Moreover, the challenge in collecting real-world threat data with ground truth has led researchers to rely on numerical models with user-defined assumptions, which may not accurately reflect real-world conditions due to the lack of in-situ experimental datasets. To address these challenges and gaps, this paper presents a flexible hardware-in-the-loop (HIL) testbed for generating cyber-attack and physical fault datasets and demonstrating threat detection algorithms in a real building automation system (BAS) environment. This testbed combines hardware (i.e., real BAS with local HVAC controllers and a physical network) with software (i.e., high-fidelity models to represent behaviors of building envelope and HVAC energy systems), enabling emulations of realistic threats. Five HIL experiments, including one baseline without any threats, two with physical faults, and two with cyber-attacks, were conducted to generate datasets containing detailed network traffic and system states. A joint classification framework, incorporating a network analyzer and a physical HVAC fault detector, was proposed to automatically detect cyber-physical abnormalities on BAS at both the network and the physical HVAC levels. The network analyzer comprises a conditional random fields (CRF) based command validator and a statistics-based detection strategy. The fault detector employs a weather and schedule-based pattern matching and feature-based principal component analysis (WPM-FPCA) method. Evaluation of the classification using four metrics from the multi-class confusion matrix revealed an average accuracy of 90.2%, recall of 89.7%, precision of 88.5% and F1-score of 89.2%. Finally, these results demonstrate that the proposed joint classification framework can effectively differentiate between specific types of cyber-attacks (e.g., device reinitialization attack, network Denial-of-Service attack) and physical faults (e.g., air handling unit operational fault, cooling coil valve stuck) in real time for improved building energy management.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Nonlinear behavior in high-frequency aggregate control of thermostatically controlled loads

Coordinated control of electric loads can provide valuable grid services, such as frequency regulation. However, due to the nonlinear characteristics of such load ensembles, it is important to systematically analyze their behavior and establish a thorough understanding of undesirable phenomena that can potentially arise. In this paper, we analyze the frequency response of an aggregate control scheme, with the goal of exploring controller performance limits. We show that rapid switching commands can induce oscillations in the power output due to the inherent lockout mechanism of the underlying devices. Here, we demonstrate that highly detailed aggregate models are required to capture such phenomena. Such models enable deeper understanding of the control boundaries and therefore play an important role in avoiding the introduction of undesirable effects on the grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

2011 Status of the Automatic Alignment System for the National Ignition Facility

Automated alignment for the National Ignition Facility (NIF) is accomplished using a large-scale parallel control system that directs 192 laser beams along the 300-m optical path. The beams are then focused down to a 50-micron spot in the middle of the target chamber. The entire process is completed in less than 50 minutes. The alignment system commands 9,000 stepping motors for highly accurate adjustment of mirrors and other optics. 41 control loops per beamline perform parallel processing services running on a LINUX cluster to analyze high-resolution images of the beams and their references. This paper describes the status the NIF automatic alignment system and the challenges encountered as NIF development has transitioned from building the laser, to becoming a research project supporting a 24 hour, 7 day laser facility. NIF is now a continuously operated system where performance monitoring is increasingly more critical for operation, maintenance, and commissioning tasks. Equipment wear and the effects of high energy neutrons from fusion experiments are issues which alter alignment efficiency and accuracy. New sensors needing automatic alignment assistance are common. System modifications to improve efficiency and accuracy are prevalent. Handling these evolving alignment and maintenance needs while minimizing the impact on NIF experiment schedule is expected to be an on-going challenge for the planned 30 year operational life of NIF.

42 ENGINEERING↗

Enabling co-simulation of tokamak plant models and plasma control systems

A system for connecting the Plasma Control System and a model of the tokamak Plant in closed loop co-simulation for plasma control development has been in routine use at DIII-D for more than 20 years and at other fusion labs that use variants of the DIII-D PCS for approximately the last decade. Here, co-simulation refers to the simultaneous execution of two independent codes with the exchange of data - Plant actuator commands and tokamak diagnostic data - between them during execution. Interest in this type of PCS-Plant simulation technology has also been growing recently at other fusion facilities. In fact, use of such closed loop control simulations is assumed to play an even larger role in the development of both the ITER Plasma Control System (PCS) and the experimental operation of the ITER device, where they will be used to support verification/validation of the PCS and also for ITER pulse schedule development and validation. We describe the key use cases that motivate the co-simulation capability and the features that must be provided by the Plasma Control System to support it. These features could be provided by the PCS itself or by a model of the PCS. If the PCS itself is chosen to provide them, there are requirements imposed on its architecture. If a PCS model is chosen, there are requirements imposed on the initial implementation of this simulation as well as long-term consequences for its continued development and maintenance. We describe these issues for each use case and discuss the relative merits of the two choices. Several examples are given illustrating uses of the co-simulation method to address problems of plasma control during the operation of DIII-D and of other devices that use the DIII-D PCS.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

New features of the ECH control system on DIII-D and impact of power modulation on collector loading

In order to increase the reliability and improve the availability of electron cyclotron heating (ECH) and current drive during a plasma shot, an adaptive gyrotron command generator has been designed and implemented in all gyrotron systems on the DIII-D tokamak. This adaptive real-time generator is able to detect imminent faults, including gyrotron body overcurrent faults that can develop in a few microseconds, block faults, and restart RF generation within 10–30 ms, faster than the DIII-D energy confinement time. The adoption of this adaptive generator has substantially improved the performance of a depressed-collector gyrotron with recurrent body current faults, and has assisted the ECH system to achieve a record reliability of 95% during the last experimental campaign. The impact of power modulation on the collector loading of a depressed-collector gyrotron has been experimentally studied using calorimetry and collector maps taken by a diagnostic developed in-house. While lowering the modulation duty cycle kept the collector power constant as a result of low beam-wave efficiency during the modulation low state, an observed power redistribution inside the collector increased the peak collector power density, which reached levels above the manufacturer power density limit for low duty cycles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nonlinear, real-time optimization for actuator management in tokamaks

Experiments in DIII-D have been carried out to test a novel actuator management approach in tokamaks. Here, the actuator management scheme is posed as a nonlinear-optimization problem in which the actuator commands are calculated in real time according to the changing control priorities, plasma state, and actuator availability. Such optimization problem is solved using the augmented Lagrangian method, combined with a gradient projection method and a conjugate-gradient iteration algorithm. The algorithmic approach followed in this work does not depend on the particular control objectives or actuators considered, which facilitates its integration with other independently-designed control components within a plasma-control system. In addition, the actuator-management algorithm is able to handle the optimization problem in a computationally efficient manner, making it suitable for real-time implementations. Initial DIII-D results in the steady-state high-q min scenario have demonstrated the capabilities of the actuator manager to perform both simultaneous multiple mission and repurposing sharing, which will be required in ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗