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DOE OSTI2018

Self-Healing Attack-Resilient PMU Network for Power System Operation

In this paper, we propose a self-healing phasor measurement unit (PMU) network that exploits the features of dynamic and programmable configuration in a software-defined networking infrastructure to achieve resiliency against cyber-attacks. After a cyber-attack, the configuration of network switches is changed to isolate the compromised PMUs/phasor data concentrators to prevent further propagation of the attack; meanwhile, the disconnected yet uncompromised PMUs will be reconnected to the network to "self-heal" and thus restore the observability of the power system. Specifically, we formulate an integer linear programming model to minimize the overhead of the self-healing process (e.g., the recovery latency), while considering the constraints of power system observability, hardware resources, and network topology. We also propose a heuristic algorithm to decrease the computational complexity. Case studies of a PMU network based on the IEEE 30-bus and 118-bus systems are used to validate the effectiveness of the self-healing mechanism.

Cybersecurity↗

DOE OSTI2023

An overview of new measurements of flow, chirality and vorticity from STAR experiment

In relativistic heavy-ion collisions, the properties of quark–gluon plasma (QGP) and complex dynamics of multi-scale processes in Quantum Chromodynamics (QCD) are studied by analyzing the final state produced particles in a variety of different ways. In these proceedings, we present an overview of new detailed measurements of flow, chirality and vorticity by the STAR experiment at Relativistic Heavy Ion Collider (RHIC). Furthermore, STAR’s future opportunities for the precision measurements on small systems, fixed-target (FXT) mode, and Beam Energy Scan (BES-II) program are discussed.

Physics↗

DOE OSTI2016

IMPACC: A Tightly Integrated MPI+OpenACC Framework Exploiting Shared Memory Parallelism

We propose IMPACC, an MPI+OpenACC framework for heterogeneous accelerator clusters. IMPACC tightly integrates MPI and OpenACC, while exploiting the shared memory parallelism in the target system. IMPACC dynamically adapts the input MPI+OpenACC applications on the target heterogeneous accelerator clusters to fully exploit target system-specific features. IMPACC provides the programmers with the unified virtual address space, automatic NUMA-friendly task-device mapping, efficient integrated communication routines, seamless streamlining of asynchronous executions, and transparent memory sharing. We have implemented IMPACC and evaluated its performance using three heterogeneous accelerator systems, including Titan supercomputer. Results show that IMPACC can achieve easier programming, higher performance, and better scalability than the current MPI+OpenACC model.

Kim, Jungwon↗

DOE OSTI2020

Subsurface Biogeochemical Research: Watershed System Science for Energy

The Subsurface Biogeochemical Research (SBR) program within the U.S. Department of Energy’s (DOE) Office of Biological and Environmental Research is strategically aligned with DOE’s mission to ensure U.S. security and prosperity through watershed system science. Water resources critical for energy production are under pressure from growing water demand, contamination, drought, flooding, and saltwater intrusion. Sustainable management of watershed systems and their coupling with the built environment rely on understanding the hydrological and biogeochemical processes that control watershed system dynamics and water availability and quality. Next-generation science-based models of watershed systems are needed to address many U.S. energy and environmental challenges, including contaminant cleanup, clean water availability, safe storage of energy and nuclear byproducts in the subsurface, nutrient availability for sustainable biofuel crops, and recovery of subsurface energy resources.

09 BIOMASS FUELS↗

DOE OSTI2018

Sirepo : an open-source cloud-based software interface for X-ray source and optics simulations

Sirepo , a browser-based GUI for X-ray source and optics simulations, is presented. Such calculations can be performed using SRW ( Synchrotron Radiation Workshop ), which is a physical optics computer code, allowing simulation of entire experimental beamlines using the concept of a `virtual beamline' with accurate treatment of synchrotron radiation generation and propagation through the X-ray optical system. SRW is interfaced with Sirepo by means of a Python application programming interface. Sirepo supports most of the optical elements currently used at beamlines, including recent developments in SRW . In particular, support is provided for the simulation of state-of-the-art X-ray beamlines, exploiting the high coherence and brightness of modern light source facilities. New scientific visualization and reporting capabilities have been recently implemented within Sirepo , as well as automatic determination of electron beam and undulator parameters. Publicly available community databases can be dynamically queried for error-free access to material characteristics. These computational tools can be used for the development and commissioning of new X-ray beamlines and for testing feasibility and optimization of experiments. The same interface can guide simulation on a local computer, a remote server or a high-performance cluster. Sirepo is available online and also within the NSLS-II firewall, with a growing number of users at other light source facilities. Our open source code is available on GitHub.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2022

Plasma Mirrors For High Power Lasers: A new approach for high repetition rates combined with realistic PIC simulations

We describe a research program to develop high quality plasma mirrors for use with high repetition rate, high power laser facilities to greatly facilitate experiments in high energy density physics, particularly when using solid density targets. A system delivering ultrathin, free standing liquid crystal films that could handle PW class laser pulses was developed that preserved the laser beam image quality and improved pulse contrast by over two orders of magnitude. The pulse contrast improvement was measured using a high dynamic range cross-correlation. The system operated at a repetition rate of several PMs formed in situ per minute. Extension to 1 Hz repetition rates should be possible. As a practical application, a PM system was used to separate laser accelerated electrons from the ultrashort pulse drive laser so that the electron beam emittance could be directly measured. The 20 nm thick PMs did not contribute significantly to emittance degradation. It was also demonstrated that the films could operate in the difficult plasma and laser environment present for GeV laser based electron acceleration. PM operation is still not well understood and much work with PMs is done empirically. Accordingly, we also demonstrated a particle-in-cell based simulation technique that would model PM operation, tracking the PM operation from cold, neutral atoms to a hot dense plasma by accounting for multiphoton ionization, plasma collisionality, and the dynamically changing index of refraction. Simulations in 3D were compared to a 2D based approach that was comparable. Finally, we developed a simpler model that can predict the intensity at which a plasma mirror will have its peak reflectivity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Energy-Efficient Self-Organization and Swarm Behavior in Active Matter

Living systems have the unique ability to form hierarchical assemblies, in which individual constituents can perform tasks cooperatively and emergently. Harnessing such properties is a long-standing challenge for the rational design of dynamic materials, that can respond to their environment, communicate with one another, and undergo a rapid, reversible, assembly through the transduction of energy. Recent developments in the design of smart and active colloidal building blocks have led to tremendous breakthroughs, with, for instance, the onset of synthetic photoactivated active assemblies. In this project, we develop a combined experimental, computational, theoretical and Machine Learning framework to shed light on the physical underpinnings of such assembly processes and program the assembly of smart active materials.

36 MATERIALS SCIENCE↗

DOE OSTI2024

SMART – A Comprehensive Research and Development Program to Demonstrate Application of Machine Learning for Supporting CCS Deployment

The objective of the US Department of Energy’s SMART Initiative, i.e., Science-informed Machine Learning (ML) for Accelerating Real-Time Decisions in Subsurface Applications, is to showcase how the utilization of ML can significantly improve efficiency and effectiveness of field-scale commercial carbon storage operations. This paper will present the results from the current phase of SMART (field deployment) for demonstrating the applicability of ML-based tools and workflows for: (a) virtual learning during the pre-injection permitting phase, (b) advanced storage reservoir imaging to better characterize fractures and faults, and (c) dynamic storage reservoir modelling and optimization to inform operational decision making and visualization of system evolution.

Siriwardane, Hema↗

DOE OSTI2024

OpenFacadeControl: enabling integration of automated facades with other building systems

Automated facades are, for the most part, still considered as separate from other building systems throughout the design, installation, commissioning, operation, and maintenance cycle. This takes place despite the fact that their energy and comfort performance are deeply interlinked with the operation of lighting and HVAC systems. Over the last two decades, research has shown that there are significant advantages from operating facades as an integrated system with the rest of the building. Nevertheless, significant barriers prevent this type of integration becoming more common. One of them is the lack of a platform that is inexpensive to implement and that easily allows the practical implementation of integrated control algorithms across fenestration and other building systems, using a variety of communications protocols. This is particularly challenging when automated facades are installed in existing buildings, where interaction with legacy building systems that were installed over the past lifetime of the building can require a high degree of interoperability. OpenFacadeControl (OFC) is an open-source controls framework aimed at unified control of facades and other building systems, including the sharing of third-party sensor information. Through leveraging the Volttron controls platform, it allows the integration of systems and sensors that are manufactured by different companies and that use different communications protocols into an ensemble that functions as a single system. OFC is designed to enable integrated control algorithms of varying degrees of complexity, ranging from simple, heuristic controls to more sophisticated approaches like model-predictive control. Use of a research version to test advanced lighting and shading strategies in a full-scale experimental testbed has demonstrated the ease of deploying advanced control solutions using OpenFacadeControl. This paper presents the structure of OpenFacadeControl and a demonstration case showing the use of OFC in laboratory tests of advanced lighting and fenestration controls that coordinated motorized shades communicating via the BACnet building communications standard and lights communicating via internet-protocol-based application programming interface (API), based on the readings of a shared light level sensor communicating via a different API.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2018

Hybrid probabilistic-possibilistic approach for capacity credit evaluation of demand response considering both exogenous and endogenous uncertainties

As a featured smart-grid technology, demand response (DR) provides utility companies with unprecedented flexibility to improve the reliability of electricity service in future power systems. However, due to the uncertainties arising from the demand side, the extent to which DR can be utilized for capacity support poses a major question to the utilities. To address this issue, this paper proposes a new methodological framework to assess the potential reliability value of DR in smart grids. The framework is established on the concept of capacity credit (CC), and it accommodates different types of uncertainties (i.e., probabilistic and possibilistic) accrued from physical and anthropogenic factors in DR programs. The capability of DR during operation is considered as a synthesized result of multiple facets, i.e., users' load characteristics, participation levels, and load recoveries, and different models are developed to represent each component. To characterize the stochastic nature of demand responsiveness, the fuzzy theory is introduced, and possibilistic models are proposed to describe the human-related uncertainties under incomplete information. In addition, considering that in reality, DR operation could affect the comfort of customers, the dynamics of demand-side participation have also been incorporated in our study, in which two utility-based indices are defined to quantify the effect of such interdependency. Using a probabilistic propagation technique, the different types of uncertainties involved can be normalized and systematically addressed under the same framework. Then, the relevant models can be applied to the CC evaluation procedures, wherein two dispatching schemes (i.e., reliability-driven and coordinated management) are considered to study the effect of DR operation on its CC. The proposed methodology is tested on a modified RTS system, and the obtained results confirm its effectiveness.

capacity credit↗

DOE OSTI2024

INSPIRED: Inelastic neutron scattering prediction for instantaneous results and experimental design

Inelastic neutron scattering (INS) has unique advantages in probing how atoms vibrate and how the vibrations propagate and interact. Such dynamic information is crucial in understanding various material properties, from heat capacity, thermal conductivity, phase transitions, and chemical reactions to more exotic quantum behavior. The analysis and interpretation of the INS spectra often start from a model structure of the sample, followed by a series of calculations to obtain the simulated spectra to compare with experiments. The conventional way to perform such calculations usually requires significant time, computing resources, and specialized expertise. Here, we present a new program named INSPIRED (Inelastic Neutron Scattering Prediction for Instantaneous Results and Experimental Design), which enables users to perform rapid INS simulations in several different ways on their personal computers in just a few clicks, with the crystal structure as the only input file. Specifically, the users can choose a pre-trained symmetry-aware neural network (coupled with an autoencoder) to predict the phonon density of states (DOS), 1D S(E) and 2D S(|Q|,E) spectra for any given structure. One can also choose an existing density functional theory (DFT) calculation from a database (containing over 12,000 crystals), and quickly obtain the simulated INS spectra for single crystals and powders. It is also possible to use pre-trained universal machine learning force fields to relax a given crystal structure, calculate the phonon dispersion and DOS, and, subsequently, the INS spectra. All these functions are implemented with a PyQt graphic user interface. Finally, we expect these new tools will benefit broad user communities and significantly improve the efficiency of experiment design, execution, and data analysis for INS.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

On the adequacy of lightweight thread approaches for high-level parallel programming models

High-level parallel programming models (PMs) are becoming crucial in order to extract the computational power of current on-node multi-threaded parallelism. The most popular PMs, such as OpenMP or OmpSs, are directive-based: the complexity of the hardware is hidden by the underlying runtime system, improving coding productivity. The implementations of OpenMP usually rely on POSIX threads (pthreads), offering excellent performance for coarse-grained parallelism and a perfect match with the current hardware. OmpSs is a task oriented PM based on an ad hoc runtime solution called Nanos++; it is the precursor of the tasking parallelism in the OpenMP tasking specification. A recent trend in runtimes and applications points to leveraging massive on-node parallelism in conjunction with fine-grained and dynamic scheduling paradigms. In this paper we analyze the behavior of the OpenMP and OmpSs PMs on top of the recently emerged Generic Lightweight Threads (GLT) API. GLT exposses a common API for lightweight thread (LWT) libraries that offers the possibility of running the same application over different native LWT solutions. We describe the design details of those high-level PMs implemented on top of GLT and analyze different scenarios in order to assess where the use of LWTs may benefit application performance. Our work reveals those scenarios where LWTs overperform pthread-based solutions and compares the performance between an ad hoc solution and a generic implementation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Site demonstration and performance evaluation of MPC for a large chiller plant with TES for renewable energy integration and grid decarbonization

Thermal energy storage (TES) for a cooling plant is a crucial resource for load flexibility. Traditionally, simple, heuristic control approaches, such as the storage priority control which charges TES during the nighttime and discharges during the daytime, have been widely used in practice, and shown reasonable performance in the past benefiting both the grid and the end-users such as buildings and district energy systems. However, the increasing penetration of renewables changes the situation, exposing the grid to a growing duck curve, which encourages the consumption of more energy in the daytime, and volatile renewable generation which requires dynamic planning. The growing pressure of diminishing greenhouse gas emissions also increases the complexity of cooling TES plant operations as different control strategies may apply to optimize operations for energy cost or carbon emissions. This paper presents a model predictive control (MPC), site demonstration and evaluation results of optimal operation of a chiller plant, TES and behind-meter photovoltaics for a campus-level district cooling system. The MPC was formulated as a mixed-integer linear program for better numerical and control properties. Compared with baseline rule-based controls, the MPC results show reductions of the excess PV power by around 25%, of the greenhouse gas emission by 10%, and of peak electricity demand by 10%.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2025

New Measurements of the Deuteron-to-Proton 𝐹 2 Structure-Function Ratio

Nucleon structure functions, as measured in lepton-nucleon scattering, have historically provided a critical observable in the study of partonic dynamics within the nucleon. However, at very large parton momenta, it is both experimentally and theoretically challenging to extract parton distributions due to the probable onset of nonperturbative contributions and the unavailability of high-precision data at critical kinematics. Extraction of the neutron structure and the d quark distribution have been further challenging because of the necessity of applying nuclear corrections when utilizing scattering data from a deuteron target to extract the free neutron structure. However, a program of experiments has been carried out recently at the energy-upgraded Jefferson Lab electron accelerator aimed at significantly reducing the nuclear correction uncertainties on the d quark distribution function at large partonic momentum. This allows leveraging the vast body of deuterium data covering a large kinematic range to be utilized for d quark parton distribution function extraction. In this Letter, we present new data from experiment E12-10-002, carried out in Jefferson Lab Experimental Hall C, on the deuteron to proton cross section ratio at large Bjorken 𝑥. These results significantly improve the precision of existing data and provide a first look at the expected impact on quark distributions extracted from parton distribution function fits.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2019

Yearly report for the period Jan. 2018 – Feb. 2019 IC Project: w17_faultprediction “Critical Stress in Earth”

The consequence of earthquake is usually catastrophic. Currently, we cannot determine when a fault is approaching failure due to either anthropogenic activities or tectonic movement. In an anthropogenically perturbed setting, the rate of physical changes on faults far exceeds most natural processes with currently unpredictable and unmeasurable results. In a tectonic setting we generally do not know where a fault is in the earthquake cycle beyond noting how long has passed since the last rupture, which is itself sometimes unknown. The Laboratory has therefore funded a multi million multi-year LDRD-DR program that comprises experiments, numerical modeling, and machine learning in order to develop and test a highly novel approach to probe the earthquake cycle and in particular, to detect and locate stressed faults that are approaching failure. For this program, modeling of a series of sheared granular layers undergoing stick-slip behavior using the EES-17’s Combined Finite-Discrete Element Method (FDEM) based code HOSS (Hybrid Optimization Software Suite) plays a pivotal role since numerical simulations of granular fault gouge allow for analysis of the mechanical behavior of the system at a level of spatial and temporal resolution not accessible experimentally, and also offer the possibility of identifying the most important parameters governing earthquake dynamics. The simulated data also provide very detailed stress, strain and motion information for machine learning purpose to predict earthquake. The code – HOSS – has been developed in Geophysics Group in LANL during the past ten years and is used to simulate the stick-slip behavior of granular fault gouge. One of the key feature of HOSS is that it is superior to pure finite element method and discrete element method and can provide very detailed evolvement information of granular fault gouge. Additionally, its parallel computing capability makes large scale earthquake gouge simulation possible. Taking these facts into account, and also because few other fully parallel FDEM code exists, this IC project allows LANL to stay at the forefront of earthquake gouge and granular material simulation in the world.

42 ENGINEERING↗

DOE OSTI2024

Preliminary Results on Process Modeling Tools for Determining Variability in Additively Manufactured Stainless Steel 316 Parts

The Advanced Materials and Manufacturing Technologies program aims to accelerate the development, qualification, demonstration, and deployment of advanced materials and manufacturing technologies to enable reliable and economical nuclear energy. However, the distinct characteristics of additive manufacturing (AM) materials, stemming from their unique processing history, microstructure, and properties, pose significant challenges for the qualification and certification of nuclear components. These challenges primarily arise from component-scale variations in microstructure and properties influenced by local process conditions and geometry, which affect thermal history, melt pool dynamics, and microstructure evolution. Computational modeling tools can play a crucial role in predicting and controlling this variability. This report presents preliminary results on process modeling tools designed to predict microstructure variability in additively manufactured stainless steel 316 parts. It details the software packages and physical modeling approaches employed to simulate an AM component within an automated process modeling workflow. Initial results are demonstrated through comparisons between predicted microstructures and experimental measurements across various representative processing conditions. The report concludes by discussing the challenges inherent in process modeling of AM components and outlines a plan for future development needs.

36 MATERIALS SCIENCE↗

DOE OSTI2016

Radioactive Material Inventory Optimization Using the Plutonium-239 Equivalent Curie Methodology

ABSTRACT The purpose of this paper is to provide the technical basis for application of the Plutonium 239 equivalent curies (PEC) concept used to optimize and limit the material-at-risk (MAR) in the Irradiated Materials Characterization Laboratory (IMCL) located at the Materials and Fuels Complex (MFC). The PEC concept offers a method to normalize all radionuclides to a common radiotoxic hazard index that can be summed to a single value. This paper describes the technical approach to applying the PEC concept, documents the weighting factors and specific activities to be utilized in the calculation, and provides an example of the application of the concept to a radionuclide distribution that is representative of materials encountered in the IMCL. The IMCL is operated to provide a dynamic, re-configurable capability to analyze and characterize irradiated or non-irradiated radioactive material samples. The operations unique to the IMCL include sample storage, preparation, and analysis using experiment-specific instrumentation such as, Electron probe micro-analyzer (EPMA), Focused ion beam (FIB), Transmission electron microscope (TEM), and Scanning electron microscope (SEM). The methodology used to characterize the radioactive material inventory enables the IMCL to operate in such a way that complements their capability and program goals without compromising the safety of the worker, co-located worker, or the general public. The PEC concept offers a method in which all radionuclide inventory is normalized to a common radiotoxic hazard index that can be summed to a single value. The PEC concept is useful in the comparison of various material types for hazard categorization and for identifying worst-case and bounding inventory.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2015

Residual waste detection in HLW tanks - 15701

This research uses commercial sonar technology to monitor residual waste in the U.S. Department of Energy's (DOE) Hanford Site high-level-waste staging tanks, with primary focus on the detection and imaging of the settled solids at specified areas of interest along the tank surface within a limited amount of time. High-level waste (HLW) is generated at the US-DOE Hanford Site as a by-product from the processing of nuclear materials. Waste is currently stored in 177 underground carbon-steel waste tanks. Pulse jet mixers (PJM) are often used to break loose and suspend the solids that have settled at the bottom of the tanks. A typical tank can have 6-8 pulse tubes. The Solid Liquid Interface Monitor (SLIM) must be capable of measuring dynamic movements in Region 1 zone between each PJM cycle. SLIM was originally developed to map the sludge/supernate interface within the U.S. DOE Hanford Site's HLW tanks. SLIM is a dual-axis mechanically rotating sonar and consists of an acoustic transducer, rotation motor with gearbox, tilt motor, position reference sensor, and pressure balancing mechanisms and its associated deployment platform. The sonar gathers a swath of data in the horizontal plane and rotates the transducer through a programmed angle around the vertical axis. Oil-filled device. No user serviceable parts. No semiconductors. Hard anodized aluminum and polyurethane delrin. May be deployed in areas of significant radioactivity. Kaolin will be used during mixing operations in order to simulate the physical properties of the expected slurry. In order to reduce the amount of time needed to image and object, all settings were decreased to their minimal state. The low resolution settings provide insufficient data for the manufacturer's 3D profiler to compile a visible point cloud and much less to allow the meshing algorithm to work properly. Several filtering algorithms have been applied to each scan in order to remove erroneous spikes and ghosting effects. Data has been collected for the mixing process of kaolin. This data consists of scans executed while the pump was active and inactive. The imaging algorithm has also been used with data derived from scans of 3% or less of kaolin. Future work: Mixing of kaolin within an experimental tank will be conducted in order to simulate the settling time of the HLW within the tank. The same filtering algorithms will be applied to each of these scans to evaluate the SLIM's efficiency to image solids at the bottom of a tank through increasing volume of kaolin.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗