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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 OSTI2021

Design, Manufacturing and Performance Considerations in Reactor System, Components and Materials

Idaho National Laboratory (INL) is the national and global leader of the Department of Energy (DOE) ’s nuclear energy research, development, and demonstration programs. Developing critical design criteria of new advanced reactor systems, components and materials requires an understanding of fabrication and the irradiation environment during normal operating and accident conditions. Next generation researchers and designers, are, therefore challenged not only by demands for ever improved performance but must also work to shorten the development and commercialization lifecycle for new nuclear reactors and systems to remain competitive. This provides unique and exciting opportunities for all contributors to this field of study. This presentation will offer a strategic overview of the competitively funded R&D awards by the Advanced Methods for Manufacturing (AMM) program of the DOE’s office of Nuclear Energy (NE). This program conducts research and development (R&D) to accelerate innovations by reducing the cost and schedule of constructing new nuclear plants and to make fabrication of nuclear power plant components faster, cheaper, and more reliable. By evaluating state-of-the-art practices found in other large manufacturing industries, the nuclear community has identified six major areas of innovation to reach the objectives of this DOE-NE program. Additionally, typical research case studies performed at INL, will be presented, showing the vast variety of opportunities for which, the next generation of researchers can seek solutions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2019

Dictating Nanoparticle Assembly via Systems-Level Control of Molecular Multivalency

Nanoparticle assembly can be controlled by multivalent binding interactions between surface ligands, indicating that more precise control over these interactions is important to design complex nanoscale architectures. It has been well-established in natural materials that the arrangement of different molecular species in three dimensions can affect the ability of individual supramolecular units to coordinate their binding, thereby regulating the strength and specificity of their collective molecular interactions. However, in artificial systems, limited examples exist that quantitatively demonstrate how changes in nanoscale geometry can be used to rationally modulate the thermodynamics of individual molecular binding interactions. As a result, the use of nanoscale design features to regulate molecular bonding remains an underutilized design handle to control nanomaterials synthesis. Here in this paper we demonstrate a polymer-coated nanoparticle material where supramolecular bonding and nanoscale structure are used in conjunction to dictate the thermodynamics of their multivalent interactions, resulting in emergent bundling of supramolecular binding groups that would not be expected on the basis of the molecular structures alone. Additionally, we show that these emergent phenomena can controllably alter the superlattice symmetry by using the mesoscale particle arrangement to alter the thermodynamics of the supramolecular bonding behavior. The ability to rationally program molecular multivalency via a systems-level approach therefore provides a major step forward in the assembly of complex artificial structures, with implications for future designs of both nanoparticle- and supramolecular-based materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Porting Adaptive Ensemble Molecular Dynamics Workflows to the Summit Supercomputer

Molecular dynamics (MD) simulations must take very small (femtosecond) integration steps in simulation-time to avoid numerical errors. Efficient use of parallel programming models and accelerators in state-of-the art MD programs now is pushing Moore’s limit for time-per-MD step. As a result, directly simulating timescales beyond milliseconds will not be attainable directly, even at exascale. However, concepts from statistical physics can be used to combine many parallel simulations to provide information about longer timescales and to adequately sample the simulation space, while preserving details about the dynamics of the system. Implementing such an approach requires a workflow program that allows adaptable steering of task assignments based on extensive statistical analysis of intermediate results. Here we report the implementation of such an adaptable workflow program to drive simulations on the Summit IBM Power System AC922, a pre-exascale supercomputer at the Oak Ridge Leadership Computing Facility (OLCF). We compare to experiences on Titan, Summit’s predecessor, report the performance of the workflow and its components, and describe the porting process. We find that using a workflow program managed by a Mongo database can provide the fault tolerance, scalable performance, task dispatch rate, and reconfigurability required for robust and portable implementation of ensemble simulations such as are used in enhanced-sampling molecular dynamics. This type of workflow generator can also be used to provide adaptive steering of ensemble simulations for other applications in addition to MD.

Ossyra, John R.↗
DOE OSTI2016

South Africa and the 21st Century Power Partnership: Paving the Way to a Clean, Reliable, and Resilient Power System

Established in 2012, the 21CPP South Africa Programme is a global initiative that connects South African stakeholders with an international community of expertise. The overall goal of this program is to support South Africa's power system transformation by accelerating the transition to a reliable, financially robust, and low-carbon power system. 21CPP activities focus on achieving positive outcomes for all participants, especially addressing critical questions and challenges facing system planners, regulators, and operators.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2019

Robotic Non-destructive Test of Concrete Structures with GPR, Impact Echo and 3D Vision - 19540

Structural members come across with various internal defects that cannot be evaluated visually. Instead, hand-held nondestructive sensors are used to detect such defects. In many situations, the hand-held NDT is not possible in high-risk structures because of limited access or safety issues. Therefore, Robotic NDT plays major role in assessing such structures. Robot Operating Systems (ROS) is a powerful open source tool, which is used to program and control robots and other devices enabling one to use sensors, devices and new functionalities such as autonomous navigation, visual perception. For the research presented, ROS is used to program the Sawyer robot arm manufactured by Rethink Robotics. The control system for the robot ensures the ability to adapt to different weights of integrated measuring devices and measured force applied against the wall with a wheeled measuring device while making a remote sweep. Twelve reinforced concrete (RC) beams built with characterized defects are evaluated with the robotic arm integrated with the measuring devices. The RC beams are characterized by voids, corrosion and debonding problems of rebars. The Impact Echo and Ground Penetrating Radar (GPR) devices attached to the robot arm are used to measure the material properties of the concrete beams. The robot arm ensures consistency and uniformity of measurement even in obscure locations. Infrared cameras are used to obtain 3D images of the surfaces of the concrete structures. Roughness is analyzed using computer vision techniques prior to the use of other sensors that are in touch with the surfaces. The computer vision is also used to handle the images collected from GPR sensor. Hand-held NDE is also performed to verify the results obtained by robotic examination. (authors)

42 ENGINEERING↗
DOE OSTI2026

RDPP: Accelerating Diversity in DOE Climate Science and Resilience Research (Final Report)

The scope of the project was set out to accelerate the inclusion of diversity into the Department of Energy (DOE) Earth and Environmental Systems Sciences Division (EESSD) relevant climate science and resilience research to inclusively advance solutions. The Project Objectives were to usher in equitable use-inspired climate-related research with underrepresented Minorities of which this project helped fund 7 HU graduate students work with the DOE (three of which will graduate in Spring 2025). The two key aims underpinning that core goal were AIM1: developing partnerships (18 organized engaged, see partners list) and AIM2: Developing capabilities (3 visits to DOE facilities, 5 DOE partners visits to HU, increased visiting faculty participation in BNL-DOE lab, secured 5 grants together totaling 1.2 million in funds for HU). The project objectives were highly successful as they were designed to ambitiously pull together DOE lab researchers with the long-standing and successful transdisciplinary climate science research programs of the PI and local DC groups. The major outcomes of this RDPP program will be in the new fundamentally inclusive partnerships with DOE and HU tasked to understand the urban-rural impacts due to climate change in the US, Eastern South Atlantic (ESA) Region, related to energy issues driven by heat stress and the water cycle. Overall, this project contributes to the DOE and science community vision for catalyze connections for project-ready underrepresented minorities (URMs) at a prominent HBCU to DOE projects supported by the Biological and Environmental research (BER) Program; particularly, the Earth and Environmental Systems Sciences Division (EESSD).

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

One System Overview - 16579

The U.S. Department of Energy (DOE), Office of River Protection (ORP) is responsible for managing and completing the River Protection Project mission, which is to 'safeguard the nuclear waste stored in Hanford's 177 underground tanks, and to manage the waste safely and responsibly until it can be treated in the Waste Treatment and Immobilization Plant for final disposition'. The Office of River Protection's work scope is currently performed through two primary contracts: - The Tank Operations Contract, held by Washington River Protection Solutions LLC, (WRPS) includes the construction, operation, and maintenance activities necessary to safely store, retrieve, and transfer tank wastes; provide supplemental tank waste treatment; provide storage and/or disposal of primary and secondary waste streams; design, construction and commissioning of the Low-Activity Waste Pretreatment System; and support ORP to integrate Hanford Tank Waste Treatment and Immobilization Plant (WTP) completion and startup with Tank Farms operations. - The WTP Contract, held by Bechtel National, Inc. (BNI), includes the design, construction, and commissioning of a Pretreatment Facility, two vitrification facilities (one for high-level waste and one for low-activity waste), a dedicated analytical laboratory, and supporting facilities to treat radioactive tank wastes by immobilizing them into a stable glass waste form. One System was established as a means to improve the integration between the tank farms and the WTP project to support its safe and successful startup. One System's scope and purpose focus on mission integration consistent with DOE's plans to treat tank waste in phases, starting with direct feed of the low-activity waste stream to the WTP's Low-Activity Waste (LAW) Vitrification Facility (referred to as DFLAW). The One System organization now has four major focus areas: - Flowsheet Integration? Integrated River Protection Project (RPP) flowsheet development and management; developing a gaps, risks, and opportunities management plan and technical roadmap; and waste feed qualification. - Mission Analysis and Planning? Strategic planning, system planning, and modeling integration. - WTP Startup, Commissioning, and Operations Integration? Interface Control Document (ICD) management, coordinating facilities startup-to-commissioning-to-operations, contract directives and standards identification, and DFLAW program integration. - Project Integration and Controls? Integrated schedule, metrics/dashboards monitoring, and One System risk register. ORP established the DFLAW Program Office in February 2015 as one of its key performance goals. ORP staff, along with contractor managers, have identified roles and responsibilities for the each of the four major focus areas. One System has established an Executive Council and Governance Board to drive program progress and make decisions on DFLAW. This approach allows appropriate government and contractor senior management involvement in the DFLAW Program. Monthly critical path analysis on the integrated DFLAW schedule is being performed. Interface control documents specific to DFLAW have been developed, and system planning and modeling tools are being used to help define the DFLAW flowsheet. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Solvability, Operability, and Security for Cyber-Physical Systems: New Computational Methods with Revised Assumptions

In this paper discusses the use and integration of disparate but complementary tools for dealing with solvability, operability, and security challenges in Cyber-Physical Systems (CPSs): the Koopman Operator (KO) for solvability, Disjunctive Programming (DP) for operability, and Multi-Level Optimisation (MLO) for security. These methods can obviate the need for some of the traditional assumptions used in modelling CPSs. This paper demonstrates the methods' capabilities and considers ways to advance each method individually. It concludes by discussing how to integrate the different methods and identify useful synergies generated by doing so.

koopman operator, disjunctive programming, multi-l↗
DOE OSTI2023

Agilent CRADA (Abstract)

The CRADA between Agilent Technologies Inc. and Battelle will focus on five software components as listed below: Prototype 4D Feature Finding functionality with a particular focus on recovering low level features and extending the bottom end dynamic range of IM-MS technology. Compare and contrast developments to current 4D Feature Finding capabilities. Highlight important algorithmic aspects employed. Implement the PNNL saturation correction algorithm. Agilent will give PNNL the needed data file access API and assistance in understanding it implementation and any needed instrumental aspects. Supported high resolution products to include Agilent’s TOF, QTOF and IM-QTOF mass spectrometers. PNNL will then work with Agilent to benchmark performance. Implementation of the PNNL Hadamard de-multiplexing algorithm. Agilent will give provide PNNL the needed date file access API access and as needed assistance in understanding the current Agilent multiplexed IM offering. PNNL will then work with Agilent on benchmark performance. Add ion mobility collision cross sections to existing and new metabolomic libraries for data analysis with Agilent’s informatics program MPP/ID Browser. PNNL will work with Agilent to create a software pipeline that takes data from chemical and metabolic standards and properly formats it for inclusion in MPP accessible libraries, using the collision cross section as a new separation dimension. Improvements of MPP multidimensional matching to identify metabolomic features using multiple characteristics beyond retention time and accurate mass. Most significantly matching will include analyte collision cross section with proposed support for sample fraction or RapidFire cartridge and fragmentation spectra. PNNL will work with Agilent to modify and improve the current MPP analysis pipeline to allow for creating, aligning, and identifying MS features defined by accurate mass, collision cross section and chromatographic retention time. As additional criteria such as fraction or RapidFire cartridge type are supported in the identification process, then they also will become part of the automation workflow. This includes the automation of said system to work with command line program (i.e. not a GUI) sufficient for programmatic execution in a pipeline.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Intricate Genetic Programs Controlling Dormancy in Mycobacterium tuberculosis

Mycobacterium tuberculosis (MTB) displays the remarkable ability to transition in and out of dormancy, a hallmark of the pathogen’s capacity to evade the immune system and exploit susceptible individuals. Uncovering the gene regulatory programs that underlie the phenotypic shifts in MTB during disease latency and reactivation has posed a challenge. We develop an experimental system to precisely control dissolved oxygen levels in MTB cultures in order to capture the transcriptional events that unfold as MTB transitions into and out of hypoxia-induced dormancy. Using a comprehensive genome-wide transcription factor binding map and insights from network topology analysis, we identify regulatory circuits that deterministically drive sequential transitions across six transcriptionally and functionally distinct states encompassing more than three-fifths of the MTB genome. The architecture of the genetic programs explains the transcriptional dynamics underlying synchronous entry of cells into a dormant state that is primed to infect the host upon encountering favorable conditions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Perspectives on AI Architectures and Co-design for Earth System Predictability

Recently, the U.S. Department of Energy (DOE), Office of Science, Biological and Environmental Research (BER), and Advanced Scientific Computing Research (ASCR) programs organized and held the Artificial Intelligence for Earth System Predictability (AI4ESP) workshop series. From this workshop, a critical conclusion that the DOE BER and ASCR community came to is the requirement to develop a new paradigm for Earth system predictability focused on enabling artificial intelligence (AI) across the field, laboratory, modeling, and analysis activities, called model experimentation (ModEx). BER’s ModEx is an iterative approach that enables process models to generate hypotheses. The developed hypotheses inform field and laboratory efforts to collect measurement and observation data, which are subsequently used to parameterize, drive, and test model (e.g., process based) predictions. A total of 17 technical sessions were held in this AI4ESP workshop series. This paper discusses the topic of the AI Architectures and Codesign session and associated outcomes. The AI Architectures and Codesign session included two invited talks, two plenary discussion panels, and three breakout rooms that covered specific topics, including 1) DOE high-performance computing (HPC) systems, 2) cloud HPC systems, and 3) edge computing and Internet of Things (IoT). We also provide forward-looking ideas and perspectives on potential research in this codesign area that can be achieved by synergies with the other 16 session topics. These ideas include topics such as 1) reimagining codesign, 2) data acquisition to distribution, 3) heterogeneous HPC solutions for integration of AI/ML and other data analytics like uncertainty quantification with Earth system modeling and simulation, and 4) AI-enabled sensor integration into Earth system measurements and observations. Such perspectives are a distinguishing aspect of this paper.

58 GEOSCIENCES↗
DOE OSTI2017

Data systems for the Linac coherent light source

Abstract The data systems for X-ray free-electron laser (FEL) experiments at the Linac coherent light source (LCLS) are described. These systems are designed to acquire and to reliably transport shot-by-shot data at a peak throughput of 5 GB/s to the offline data storage where experimental data and the relevant metadata are archived and made available for user analysis. The analysis and monitoring implementation (AMI) and Photon Science ANAlysis (psana) software packages are described. Psana is open source and freely available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Testing Minimum Detectable Activity of Whole-Body Counting System in the Presence of Interfering Factors

The recently updated technical standard for the Department of Energy Laboratory Accreditation Program (DOELAP) may soon require accredited laboratories to empirically verify the estimated minimum detectable activity (MDA) for the nuclides of interest measured by in-vivo detection systems. The Radiation Protection Sample Diagnostics (RPSD) program is the SNL on-site DOELAP accredited laboratory that provides in-vivo measurements of ingested gamma-emitting nuclides (or to prove the lack of significant ingested gamma-emitting nuclides) for the internal dosimetry program administered by Radiation Protection Dosimetry Program (RPDP). Currently, the main nuclides of concern for RPDP include cesium-137 and cobalt-60 as specified in the Statement of Work between the two programs. Historically, MDAs for the RPSD whole-body counting system (WBC) were calculated annually as a-priori values by averaging the critical levels (LC) of any twelve subjects with undetected Co-60 and Cs-137 and assuming MDA is twice the decision level. The purpose of this technical basis document is to evaluate the method and process that validates the a-priori MDA of the RPSD WBC.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2015

A New Equivalence Theory Method for Treating Doubly Heterogeneous Fuel - I. Theory

A new methodology has been developed to treat resonance self-shielding in doubly heterogeneous very high temperature gas-cooled reactor systems in which the fuel compact region of a reactor lattice consists of small fuel grains dispersed in a graphite matrix. This new method first homogenizes the fuel grain and matrix materials using an analytically derived disadvantage factor from a two-region problem with equivalence theory and intermediate resonance method. This disadvantage factor accounts for spatial self-shielding effects inside each grain within the framework of an infinite array of grains. Then the homogenized fuel compact is self-shielded using a Bondarenko method to account for interactions between the fuel compact regions in the fuel lattice. In the final form of the equations for actual implementations, the double-heterogeneity effects are accounted for by simply using a modified definition of a background cross section, which includes geometry parameters and cross sections for both the grain and fuel compact regions. With the new method, the doubly heterogeneous resonance self-shielding effect can be treated easily even with legacy codes programmed only for a singly heterogeneous system by simple modifications in the background cross section for resonance integral interpolations. This paper presents a detailed derivation of the new method and a sensitivity study of double-heterogeneity parameters introduced during the derivation. The implementation of the method and verification results for various test cases are presented in the companion paper.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2018

Bi-Level Dynamic Optimization with Feedback

This paper considers a bi-level real-time algorithmic framework for networked systems, consisting of several local controllers and a central controller. The central controller issues setpoints to the local controllers to optimize their operational objectives while satisfying system-wide constraints. In this context, the paper develops an online algorithm for tracking the optimal solution of the underlying dynamic optimization problem. The design of the algorithm is based on a projected-gradient method, suitably modified to accommodate appropriate measurements (i.e., feedback). Optimality claims are established in terms of the dynamic regret of the algorithm; the latter is a natural performance criterion in nonstationary environments associated with real-time control problems. Finally, the application of the algorithm to real-time control of power setpoints in an electrical grid is illustrated.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2024

Microgrid design and multi-year dispatch optimization under climate-informed load and renewable resource uncertainty

Microgrids are an increasingly popular solution to provide energy resilience in response to increasing grid dependency and the growing impacts of climate change on grid operations. However, existing microgrid models do not currently consider the uncertain and long-term impacts of climate change when determining a set of design and operational decisions to minimize long-term costs or meet a resilience threshold. In this paper, we develop a novel scenario generation method that accounts for the uncertain effects of (i) climate change on variable renewable energy availability, (ii) extreme heat events on site load, and (iii) population and electrification trends on load growth. Additionally, we develop a two-stage stochastic programming extension of an existing microgrid design and dispatch optimization model to obtain uncertainty-informed and climate-resilient energy system decisions that minimizes long-term costs. Use of sample average approximation to validate our two case studies illustrates that the proposed methodology produces high-quality solutions that add resilience to systems with existing backup generation while reducing expected long-term costs.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2022

Final Report for US DOE Grant DE-FG02-99ER54527

The failure of the NSTX-U coil in 2016 resulted in a redirection of UCLA’s NSTX-U research program. At that time UCLA had two functioning fluctuation reflectometer systems installed on the tokamak and was in the process of installing the new DBS/CPS system. These projects were placed on hold due to the NSTX-U recovery effort. UCLA in consultation with DOE OFES began a program of utilizing the equipment installed at NSTX-U in order to maximize the science output. In these discussion it was decided to move the V-band 50-75 GHz and the W-band 83-88 GHz multifrequency fluctuation reflectometer systems to the DIII-D tokamak. This would achieve two goals – to continue to provide important scientific input the US fusion research program and to test the new W-band system in a fusion research relevant plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

C3F: Collaborative Container-based Model Coupling Framework

Solving complex real-world grand challenge problems requires in-depth collaboration of researchers from multiple disciplines. Such collaboration often involves harnessing multiscale and multi-dimensional data and combining models from different fields to simulate systems. However, the progress on this front has been limited mainly due to significant gaps in domain knowledge and tools that are typically employed in silos of the domains. Researchers from different fields face considerable barriers to understanding and reusing each other’s data/models in order to collaborate effectively. For example, in solving the global sustainability problems, researchers from hydrology, climate science, agriculture, and economics need to run their respective models to study different components of the global and local food, energy and water systems while, at the same time, need to interact with other researchers and integrate the results of one model with another. Developing this kind of model coupling workflow calls for (1) a large amount of data being processed and exchanged across domains and organizations, (2) identifying and processing the output of one model to make it ready for integration into another model, (3) controlling the workflow dynamically so that it runs until a certain convergence condition or other criteria is met, and (4) close collaboration among the modelers to explore, tune, and test the configuration and data transformation needed to link the models. We have developed C3F, a flexible collaborative model coupling framework to help researchers accelerate their model integration and linking efforts by leveraging advanced cyberinfrastructure such as high-performance computing and virtual containers. In this paper, we describe our experience and lessons learned in developing this cyberinfrastructure solution to support the linking of Water Balance Model (WBM) and SIMPLE-G agricultural economic model in an NSF funded INFEWS project and a DOE-funded Program on Coupled Human and Earth Systems (PCHES) to study the implications of groundwater scarcity for food-energy-water systems. The C3F model coupling framework can be extended to facilitate other model linkages as well.

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