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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 OSTI2024

Toward a long-lifetime polarized photoelectron gun for the Ce+BAF positron source

The addition of spin-polarized, continuous-wave (c.w.) positron beams to the 12 GeV Continuous Electron Beam Accelerator Facility (CEBAF) would provide a significant capability to the experimental nuclear physics program at Jefferson Lab. Based on bremsstrahlung and pair-production in a high-Z target, the positron source requires a 120 MeV spin-polarized c.w. electron beam of several milliamperes. While the beam dynamics of the high-current electron beam are tenable, sustaining this current for weeks of user operations requires an unprecedented charge lifetime from a high-polarization GaAs-based photocathode. A promising approach to exceed the kilocoulomb charge lifetime barrier is reducing the ion back-bombardment fluence at the photocathode. By increasing the laser size and managing the emittance growth with an adequate cathode/anode design, significantly enhanced charge lifetime may be achieved. Based upon a new simulation model that qualitatively explains the lifetime data previously measured at different spot sizes, we describe the practical implications on the parameter space available for a kilocoulomb-lifetime polarized photogun design.

Bruker, M.↗
DOE OSTI2016

Virtual Facility at Fermilab: Infrastructure and Services Expand to Public Clouds

In preparation for its new Virtual Facility Project, Fermilab has launched a program of work to determine the requirements for running a computation facility on-site, in public clouds, or a combination of both. This program builds on the work we have done to successfully run experimental workflows of 1000-VM scale both on an on-site private cloud and on Amazon AWS. To do this at scale we deployed dynamically launched and discovered caching services on the cloud. We are now testing the deployment of more complicated services on Amazon AWS using native load balancing and auto scaling features they provide. The Virtual Facility Project will design and develop a facility including infrastructure and services that can live on the site of Fermilab, off-site, or a combination of both. We expect to need this capacity to meet the peak computing requirements in the future. The Virtual Facility is intended to provision resources on the public cloud on behalf of the facility as a whole instead of having each experiment or Virtual Organization do it on their own. We will describe the policy aspects of a distributed Virtual Facility, the requirements, and plans to make a detailed comparison of the relative cost of the public and private clouds. Furthermore, this talk will present the details of the technical mechanisms we have developed to date, and the plans currently taking shape for a Virtual Facility at Fermilab.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗
DOE OSTI2019

Real-time estimation of solar irradiation

Aspects relate to methods, systems, and computer program products for estimating future levels of solar power received at a sensor including receiving, by a processor, a first measured power value at a first time from the sensor, calculating a first value of a dynamic correction factor based on the first measured power value associated with the first time, applying the first value of the calculated dynamic correction factor to a power estimation model, generating a first power estimation value for a second time using the power estimation model, wherein the second time is later than the first time, receiving a second measured power value at the second time, and calculating a second value of a dynamic correction factor based on the second measured power value associated with the second time and the first value of the dynamic correction factor.

Dang, Hien P.↗
DOE OSTI2016

V and V of the HTR Code Package (HCP) as a comprehensive HTR steady state and transient safety analysis framework - 18664

The HTR code package (HCP) allows for the simulation of several safety-related aspects of a High Temperature Reactor core in a highly integrated manner. HCP currently couples the thermo-fluid dynamics and time dependent neutronics code MGT, the spectrum code TRISHA, the burn up code TNT, the fuel management code SHUFLE and the fission product release code STACY. During its development, state-of-the-art programming techniques and standards are applied. The cross sections in HCP are generated by a 0D- or 1D solver featuring an innovative approach to treat the double heterogeneity of pebble fuel. Also major improvements have been made to optimize the nuclear data library based on ENDF/B-VII. Two advanced fuel management models are provided by the code module SHUFLE that go far beyond the capabilities of existing system codes like VSOP. The source term analysis code module STACY is coupled to HCP providing release rate calculations with a high spatial resolution making use of the nuclide densities provided by TNT. An outstanding new feature of HCP is the possibility to simulate long-term operation scenarios based on OTTO or MEDUL fuel shuffling schemes as well as selected transients in one integrated code package. Even alternating steady state/transient/steady state simulations are possible. So with HCP different fuel strategies and their influence on various kinds of accidents can be examined with one consistent reactor model. This paper provides an overview of the development status of the HCP and reports about selected benchmark results. It is demonstrated that the new system code HCP is capable to replace existing stand-alone codes like VSOP, TINTE/MGT, FRESCO or PANAMA while introducing new features, which so far to our knowledge were not available in the field of HTR safety research. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2017

Learning reduced kinetic Monte Carlo models of complex chemistry from molecular dynamics

Here, we propose a novel statistical learning framework for automatically and efficiently building reduced kinetic Monte Carlo (KMC) models of large-scale elementary reaction networks from data generated by a single or few molecular dynamics simulations (MD). Existing approaches for identifying species and reactions from molecular dynamics typically use bond length and duration criteria, where bond duration is a fixed parameter motivated by an understanding of bond vibrational frequencies. Conversely, we show that for highly reactive systems, bond duration should be a model parameter that is chosen to maximize the predictive power of the resulting statistical model. We demonstrate our method on a high temperature, high pressure system of reacting liquid methane, and show that the learned KMC model is able to extrapolate more than an order of magnitude in time for key molecules. Additionally, our KMC model of elementary reactions enables us to isolate the most important set of reactions governing the behavior of key molecules found in the MD simulation. We develop a new data-driven algorithm to reduce the chemical reaction network which can be solved either as an integer program or efficiently using L1 regularization, and compare our results with simple count-based reduction. For our liquid methane system, we discover that rare reactions do not play a significant role in the system, and find that less than 7% of the approximately 2000 reactions observed from molecular dynamics are necessary to reproduce the molecular concentration over time of methane. Furthermore, we describe a framework in this work that paves the way towards a genomic approach to studying complex chemical systems, where expensive MD simulation data can be reused to contribute to an increasingly large and accurate genome of elementary reactions and rates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Incorporating Wind Energy in Power System Restoration Planning

Wind energy is rapidly growing. While wind brings us clean and inexpensive energy, its inherent variability and uncertainty present challenges for the power grid. In particular, employing wind energy for power system restoration is very challenging. A fast and reliable restoration plays a vital role to achieve the self-healing power grid. This paper develops a novel offline restoration planning tool for harnessing wind energy to enhance grid resilience. The Wind-for-Restoration problem is formulated as a stochastic mixed-integer linear programming problem with generated wind energy scenarios. The problem is then decomposed into two stages and solved with the integer Lshaped algorithm. Numerical experiments have been conducted through different case studies using the modified IEEE 57-bus system. The developed tool can provide the scheduled wind power at each restoration time. The impact of wind energy is investigated from the aspects of location and inertia capability, as well as wind penetration, fluctuation, and uncertainty. Moreover, a dynamic response validation tool is developed to validate the results of optimization problem in a dynamic simulation software. Finally, simulation results demonstrate that the optimal wind harnessing strategy can help improve system restoration process and enhance system resilience.

17 WIND ENERGY↗
DOE OSTI2021

A Constrained Data Assimilation Algorithm Based on GSI Hybrid 3D-EnVar and Its Application

Abstract Data assimilation (DA) at mesoscales is important for severe weather forecasts, yet the techniques of data assimilation at this scale remain a challenge. This study introduces dynamical constraints in the Gridpoint Statistical Interpolation (GSI) three-dimensional ensemble variational (3D-EnVar) data assimilation algorithm to enable the use of high-resolution surface observations of precipitation to improve atmospheric analysis at mesoscales. The constraints use the conservations of mass and moisture. Mass constraint suppresses the unphysical high-frequency oscillation, while moisture conservation constrains the atmospheric states to conform with the observed high-resolution precipitation. We show that the constrained data assimilation (CDA) algorithm significantly reduced the spurious residuals of the mass and moisture budgets compared to the original data assimilation (ODA). A case study is presented for a squall line over the Southern Great Plains on 20 May 2011 during Midlatitude Continental Convective Clouds Experiment (MC3E) of the Atmospheric Radiation Measurement (ARM) program by using ODA or CDA analysis as initial condition of forecasts. The state variables, and the location and intensity of the squall line are better simulated in the CDA experiment. Results show how surface observation of precipitation can be used to improve atmospheric analysis through data assimilation by using the dynamical constraints of mass and moisture conservations.

Wang, Jia↗
DOE OSTI2021

Efficient Topology Design Algorithms for Power Grid Stability

The dynamic response of power grids to small disturbances influences their overall stability. This letter examines the effect of network topology on the linearized time-invariant dynamics of electric power systems. The proposed framework utilizes H 2 -norm based stability metrics to study the optimal placement of lines on existing networks as well as the topology design of new networks. The design task is first posed as an NP-hard mixed-integer nonlinear program (MINLP) that is exactly reformulated as a mixed-integer linear program (MILP) using McCormick linearization. To improve computation time, graph-theoretic properties are exploited to derive valid inequalities (cuts) and tighten bounds on the continuous optimization variables. Moreover, a cutting plane generation procedure is put forth that is able to interject the MILP solver and augment additional constraints to the problem on-the-fly. Finally, the efficacy of our approach in designing optimal grid topologies is demonstrated through numerical tests on the IEEE 39-bus network.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2018

Quantitative Boltzmann–Gibbs Principles via Orthogonal Polynomial Duality

We study fluctuation fields of orthogonal polynomials in the context of particle systems with duality. We thereby obtain a systematic orthogonal decomposition of the fluctuation fields of local functions, where the order of every term can be quantified. This implies a quantitative generalization of the Boltzmann–Gibbs principle. In the context of independent random walkers, we complete this program, including also fluctuation fields in non-stationary context (local equilibrium). For other interacting particle systems with duality such as the symmetric exclusion process, similar results can be obtained, under precise conditions on the n particle dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Serpent transient analyses of GIACINT geometrical change experiments

This paper simulates seven transient experiments with geometrical movements performed at the GIACINT facility of Belarus. These experiments include three slow control rods insertion in more than 25 s, one fast control rod insertion in less than 1 s, and three water moderator draining transients. In the fast control rod insertion experiment, the control rods are first pushed by a mechanical spring and then let fall by gravity in the assembly. In this experiment, the control rods speed varies because of the initial spring force, the gravitational acceleration, and the water buoyancy force. In all other transient experiments, the geometry change occurs with a constant speed. The Serpent computer program was utilized to simulate these transient experiments with geometrical changes by performing two separate computations. One time-independent computation is performed in criticality mode and the other time-dependent computation is performed in dynamic-source mode. The first computation writes the neutron population and delayed neutron precursors for starting the transient simulation. The second computation divides the transient time into several time bins, reads the two files from the first computation, and updates them at the end of each time bin. The Serpent simulation results obtained for this set of experiments are in good agreement with the time dependent experimental measurements. In addition, Serpent and MCNP simulations results show an excellent agreement for the water moderator transient

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Hydrogen retention in lithium and lithium oxide films

Pure lithium (Li) surfaces are difficult to maintain in fusion devices due to rapid oxide formation, therefore, parameterizing and understanding the mechanisms of hydrogen (H, D) retention in lithium oxide (Li 2 O) in addition to pure Li is crucial for Li plasma-facing material applications. To compare H retention in Li and Li 2 O films, measurements were made as a function of surface temperature (90–520 K) under ultrahigh vacuum (UHV) conditions using temperature programmed desorption (TPD). In both cases, the total retention dropped with surface temperature, from 95% at 90 K to 35% at 520 K Li 2 O films retained H in similar amounts as pure Li. Finally, Molecular Dynamics (MD) modeling was used to elucidate the mechanisms of H retention, and results were consistent with experiments in terms of both retention fraction and the drop of retention with temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Progress Toward Simulating Departure from Nucleate Boiling at High-Pressure Applications with Selected Wall Boiling Closures

Recently, a Eulerian-based two-fluid computational fluid dynamics (CFD) framework with a wall heat flux partitioning approach has been intensively investigated for departure from nucleate boiling (DNB) simulation under the U.S. Department of Energy–funded Consortium for Advanced Simulation of Light Water Reactors (CASL) program. Understanding of the DNB characteristics over a range of pressurized water reactor–like operating conditions and accurate prediction of boiling crisis in the nuclear power system have been grand challenges because of the large impact of DNB on reactor safety and operational economics. The ultimate goal of this task in the CASL program is to introduce a robust multiphase CFD–based DNB modeling framework that is capable of characterizing an entire boiling history in which the wall boiling mode experiences the following through multiple stages of heat transfer mode: (1) single-phase convective heat transfer, (2) nucleate boiling heat transfer, and (3) identification of the departure of nucleate boiling. To validate the CASL boiling model, we have benchmarked simulated DNB over three different flow channel configurations (pipe flow, 5 × 5 fuel bundle with mixing vane tests, and 5 × 5 fuel bundle without mixing vane tests) against experimental measurements, and the validation result with open literature is reported. The DNB detection criteria in the simulation are checked by monitoring the peak wall temperature, wall dryout factor, and net energy balance. In addition to the DNB performance test, some preliminary sensitivity results on closure model selection are reported to address the prediction capability of local void profile against measurements. The boiling simulation tested in this study exhibits a maximum deviation of 24% from the measured DNB value in a high-pressure (i.e., 138 bars) subcooled pipe flow test. The ranges of operating conditions are as follows: 1650 to 2650 kg/m 2 ·s for mass flux and 8.5 to 96 K for subcooled inlet temperature. The deviation is even reduced to 7% when the subcooled temperature is less than 40 K. Besides accuracy, base practice guidelines for DNB detection criteria are tested by monitoring three simulation variables: (1) maximum wall temperature, (2) wall dryout factor (i.e., K-value), and (3) energy balance. Numerical robustness of DNB simulation is largely achieved in most of the validation test except for a few high subcooled test cases.

42 ENGINEERING↗
DOE OSTI2020

Editorial for Special Issue: Grid-Interactive Efficient Buildings - Part 1

We are pleased to present starting with this volume of ASME Journal of Engineering for Sustainable Buildings and Cities (JESBC), a series of peer-reviewed papers related to some of ongoing research projects and applications of Grid-interactive Efficient Buildings (GEBs). As part of a new program initiated by the Building Technology Office (BTO) with the US Department of Energy (DOE), GEBs are characterized as highly energy-efficient buildings that are equipped with smart technologies and distributed energy resources that can be dynamically controlled to meet grid needs and minimize electricity system costs, while meeting occupants’ comfort and productivity requirements. In simple terms,DOE defines GEBs as efficient, connected, smart, and flexible buildings. The GEB technologies touch on the main topical areas of JESBC aimed at fostering sustainable buildings and cities by providing results of evaluation studies and demonstration projects. Indeed, one of the main goals for JESBC is to disseminate solutions to enhance the built environment energy efficiencies, low carbon services, inter-connectivity services, resilient multi-services, and healthy and comfortable living spaces.

buildings↗
DOE OSTI2021

Numerical Modelling of the Optical Stochastic Cooling Experiment at IOTA

A proof-of-principle optical-stochastic cooling (OSC) experiment is currently in its commissioning phase at the Fermilab’s IOTA ring. In support of this experiment, we recently implemented an OSC element in the ELEGANT tracking program. The model, based on a semi-analytic description of OSC [*], supports the simulation of a large number of macroparticles (10⁴-10⁶) over many turns (10⁶). This paper showcases the simulation capabilities to investigate the beam dynamics in the presence of cooling (or self-interacting radiation field in general) and quantify the impact of various sources of error (e.g. transverse and phase jitter), guide data analysis.

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Installation and Commissioning of the Netzsch Skimmer

The DOE molten salt reactor (MSR) program has been focusing on the thermochemistry and transport properties of fuel, diluent/carrier, coolant, flush, and reprocessing salts proposed for various molten salt reactor technologies. Data from the chemistry project inform models of salt behavior used in dynamic models of nuclear salt reactors, for both high fidelity and systems simulations. Reactor and salt processing systems operate well above salt melting points (>600°C), so salt behavior can be well described by thermodynamics. However, much is not known about salt systems that contain two, three, or even more components. The Netzsch skimmer (commissioned this year) can be used in several configurations to collect data on molten systems. The skimmer uses mass spectrometry coupled with a thermogravimetric analyzer to accurately analyze systems up to 2000°C. Because the mass analyzer is coupled directly to the furnace through two nested orifices, there are no losses due to condensation. As a thermogravimetric analyzer, the skimmer measures weight loss and reaction energies simultaneously with evolved gas analysis. The mass spectrometry identifies gas phase species, and these volatility measurements can be used to derive vapor pressures. The skimmer was purchased in fiscal year 2018, delivered in April, installed in May 2019, and now is fully operational as verified by the analysis of known standards. The skimmer is unique because it will be available for study of salt systems that contain actinides or beryllium, although the additional work control to accommodate these hazards is still under review.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Waves of Electric Charge Generated by Pulse Corona of Alternating Polarity

The project contributes to DoE Office of Science program “Opportunities in Frontier Plasma Science” by providing plasma science experiments at the Princeton Collaborative Research Facility (PCRF) – the Princeton Plasma Physics Laboratory. The research consisted of - extensive experimental/simulation studies of a pulse corona discharge pattern and dynamics performed at the University of Notre Dame; - non-intrusive measurements of electric field distribution and dynamics performed at PCRF by the method employing Electric Field-Induced Second Harmonic Generation (EFISH); and - analysis of the data acquired.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

3D modeling of the Staged Z-pinch with the FLASH code

The Staged Z-pinch (SZP) fusion concept is a magneto-inertial compression scheme developed by Magneto-Inertial Fusion Technologies, Inc. (MIFTI), in which small amounts of fusion fuel are brought to fusion-relevant conditions by passing multi-million amperes strong current through a cylindrical shell of high atomic number material. One- and two-dimensional modeling performed by MIFTI with the MACH2 code, suggests that net fusion energy gain can be achieved when currents in the 10 million amperes range compress a 50%-50% mixture of deuterium and tritium gas. In this project we enhance and use the FLASH code to execute high-fidelity, simulations of various SZP configurations, a collaboration between the Flash Center for Computational Science at the University of Rochester and the Laboratory for Laser Energetics, and MIFTI. FLASH is a high-performance computing, multi-physics, radiation magnetohydrodynamic (MHD) code with extended physics capabilities, which is developed at the Flash Center. The goal of this project is to assess the shell/fuel stability of the pinch to two- and three-dimensional MHD instabilities and to utilize FLASH’s extended physics capabilities to understand how extended-MHD effects impact implosion dynamics and plasma conditions at stagnation. The project is a natural extension of an ongoing collaborative effort between MIFTI and the Flash Center through the U.S. DOE Advanced Research Projects Agency-Energy (ARPA-E) BETHE program and can provide MIFTI with simulation capabilities that are currently beyond their reach with MACH2. Ultimately, MIFTI wants FLASH to become one of their simulation workhorses for reliable, high-fidelity SZP platform design. During the project, the Flash Center team developed a suite of in one- and two-dimensional FLASH simulations to model different variants of the SZP platform, performed code-to-code comparisons with MACH2, and used the FLASH code to design and model SZP experiments like the Double Eagle experiments that MIFTI recently performed. Also, the Flash Center team developed the capabilities of FLASH to be able to do three-dimensional simulations of pulsed-power experiments with the code for the first time. Two publications from this effort are currently under review and two more are in preparation. MIFTI has also committed to the use of FLASH for future SZP simulation efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Koopman Model Predictive Control for Eco-Driving of Automated Vehicles

In this paper, we develop a data-driven process for building a model predictive control (MPC) for eco-driving of automated vehicles. The process involves performing system identification in which the non-linear vehicle dynamics model is approximated by the Koopman operator, a linear predictor of higher state-dimension, in a data-driven framework. This approach allows us to formulate the eco-driving problem in a constrained quadratic program that leads to a computationally fast MPC. The MPC is then implemented as a closed-loop control of an electric vehicle in numerical simulations for demonstration.

autonomous vehicle↗