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A new hybrid-Lagrangian numerical scheme for gyrokinetic simulation of tokamak edge plasma

In order to enable kinetic simulation of non-thermal edge plasmas at a reduced computational cost, a new hybrid-Lagrangian δf scheme has been developed that utilizes the phase space grid in addition to the usual marker particles, taking advantage of the computational strengths from both sides. The new scheme splits the particle distribution function of a kinetic equation into two parts. Marker particles contain the fast space-time varying, δf, part of the distribution function and the coarse-grained phase-space grid contains the slow space-time varying part. The coarse-grained phase-space grid reduces the memory-requirement and the computing cost, while the marker particles provide scalable computing ability for the fine-grained physics. Weights of the marker particles are determined by a direct weight evolution equation instead of the differential form weight evolution equations that the conventional delta-f schemes use. The particle weight can be slowly transferred to the phase space grid, thereby reducing the growth of the particle weights. The non-Lagrangian part of the kinetic equation – e.g., collision operation, ionization, charge exchange, heat-source, radiative cooling, and others – can be operated directly on the phase space grid. Deviation of the particle distribution function on the velocity grid from a Maxwellian distribution function – driven by ionization, charge exchange and wall loss – is allowed to be arbitrarily large. The numerical scheme is implemented in the gyrokinetic particle code XGC1, which specializes in simulating the tokamak edge plasma that crosses the magnetic separatrix and is in contact with the material wall.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Galaxy Evolution Spectroscopic Explorer: Scientific Rationale

GESE is a mission concept consisting of a 1.5-m space telescope and UV multi-object slit spectrograph designed to help understand galaxy evolution in a critical era in the history of the universe, where the rate of star-formation stopped increasing and started to decline. To isolate and identify the various processes driving the evolution of these galaxies, GESE will obtain rest-frame far-UV spectra of 100,000 galaxies at redshifts, z approximately 1-2. To obtain such a large number of spectra, multiplexing over a wide field is an absolute necessity. A slit device such as a digital micro-mirror device (DMD) or a micro-shutter array (MSA) enables spectroscopy of a hundred or more sources in a single exposure while eliminating overlapping spectra of other sources and blocking unwanted background like zodiacal light. We find that a 1.5-m space telescope with a MSA slit device combined with a custom orbit enabling long, uninterrupted exposures (approximately 10 hr) are optimal for this spectroscopic survey. GESE will not be operating alone in this endeavor. Together with x-ray telescopes and optical/near-IR telescopes like Subaru/Prime Focus Spectrograph, GESE will detect "feedback" from young massive stars and massive black holes (AGN's), and other drivers of galaxy evolution.

digital micro-mirror device (DMD)↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Wrong signs are alright

It has been shown that some Lorentz-invariant quantum field theories, such as those with higher-dimensional operators with negative coefficients, lead to superluminality on some classical backgrounds. While superluminality by itself is not logically inconsistent, these theories also predict the formation of closed time-like curves at the classical level, starting from initial conditions without such curves. This leads to the formation of a Cauchy Horizon which prevents a complete description of the time evolution of such systems. Inspired by the chronology protection arguments of General Relativity, we show that quantum mechanical effects from low energy quanta strongly backreact on such configurations, exciting unknown short-distance degrees of freedom and invalidating the classical predictions. Thus, there is no obvious low-energy obstruction to the existence of these operators.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Integrated Approach to Fluoride High Temperature Reactor Technology and Licensing Challenges (FHR-IRP)

This document constitutes progress made on this project by the Georgia Tech led Integrated Approach to Fluoride High Temperature Reactor Technology and Licensing Challenges (FHR-IRP). This is the first draft of the project final report. Chapter 3 is focused on Tritium management. Tritium management in Fluoride-salt High-temperature Reactors (FHRs) presents a major operational concern and a significant challenge. Tritium is generated via multiple pathways including various interactions in fuel and structural materials, as well as coolant (primarily interaction with lithium and beryllium), leading to a complex evolution and spatial distribution of tritium generation rate. FHR generates orders of magnitude more tritium than in LWRs, and has potential for a significant release, via permeation through structural materials (due to high temperature), and through heat exchanger(s). Therefore, accurate estimate is necessary. For that purpose relevant tritium production pathways were identified. A methodology to obtain space-time dependent tritium generation rate was developed and implemented, employing SCALE and MCNP codes. Detailed models of the reference Advanced High Temperature Reactor (AHTR) design were developed. A multi-parametric metrics was introduced to capture relevant tritium production indicators, including the instantaneous tritium production rate, total tritium production (neglecting subsequent decay), and accumulated tritium production (accounting for the decay). The obtained results will inform tritium management, including the sizing of the components, and to gain insight on the impact of the core design parameters on tritium generation rates. Research effort on Liquid Salt Impurity Removal, Redox and Corrosion Control is discussed in Chapter 4. Section 4.1 is an introduction chapter. Based on the current available knowledge and operation experience on previous MSRs and other types of nuclear reactors, the report identifies the major impurities that are related to either material compatibility, salt properties or radioactive source terms, and the potential contamination sources of these impurities, their transport in the primary coolant loop and available cleanup methodologies for a particular group of impurity. In section 4.2, the available purification methods were discussed, including the liquid/liquid extraction using liquid Bi-Li which has been applied in MSBR and electrochemical purification which is developed based on Pyroprocessing. In this section, the new multi-stage and multi-salt-component was developed and discussed. Section 4.3 discussed the redox potential control for salt chemistry and corrosion mitigation, including the control theory and the soluble/soluble buffer control method. The section also developed method on how to analyze soluble/soluble redox reaction in a molten salt system and designed an electrochemical sensor for redox potential control. Corrosion models were also reported in this section. Section 4.4 focused on how to measure the fundamental properties in a molten salt. As an example, the section focused on La fluoride in the molten salt. The section developed methods on how analyze electrochemical measurement data to obtain the fundamental properties including the redox potential, diffusion coefficient and exchange current density. All these fundamental information is important for salt purification system development. Section 4.5 focused on measurements of corrosion products in the salts. Because of the different behaviors between Cr and La in the salt, new analysis method for Cr fluorides in the salt was developed. Some results for Fe fluoride in the salt and corrosion measurements were also reported. Section 4.6 demonstrated the separation of oxide from the salt. This section also measured the solubility of La 2 O 3 in the salt as function of temperature. Section 4.7 focused on the separation of La and Ce from the molten salt. These two elements were selected because La was found to be separated by using inert electrode, while for separation of Ce, reactive electrode must be selected. Section 4.8 demonstrated the separation iodine ions from the molten salt. Two kinds of working electrode materials (metal W and graphite) were investigated. Section 4.9 focused on the fundamental data of fission products and actinides in liquid Bi. The chapter reviewed the available data, then based a CALPHAD model, the available data were broadened to the concentration-dependent cases.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

The Gravity Recovery and Interior Laboratory Mission

The Gravity Recovery and Interior Laboratory (GRAIL) mission, launched in September 2011, successfully completed its Primary Science Mission in June 2012 and is currently in Extended Mission operations. Competitively selected under a NASA Announcement of Opportunity in December 2007, GRAIL is a Discovery Program mission subject to a mandatory project cost cap. The purpose of the mission is to precisely map the gravitational field of the Moon to reveal its internal structure from crust to core, determine its thermal evolution, and extend this knowledge to other planets. The mission uses twin spacecraft flying in tandem to provide the gravity map. The GRAIL Flight System, consisting of the spacecraft and payload, was developed based on significant heritage from previous missions such an experimental U.S. Air Force satellite, the Mars Reconnaissance Orbiter (MRO) mission, and the Gravity Recovery and Climate Experiment (GRACE) mission. The Mission Operations System (MOS) was based on high-heritage multimission operations developed by NASA's Jet Propulsion Laboratory and Lockheed Martin. Both the Flight System and MOS were adapted to meet the unique challenges posed by the GRAIL mission design. This paper summarizes the implementation challenges and accomplishments of getting GRAIL ready for launch. It also discusses the in-flight challenges and experiences of operating two spacecraft, and mission results.

GRAIL↗

The evolution of the SEP stage /SEPS/ concept

The features of a solar electric propulsion (SEP) stage are examined. An SEP stage (SEPS) contains all of the subsystems required to deliver separable payloads to the desired target and to support its own operations. These include attitude control, communications, data handling, and computer subsystems in addition to the solar array and thrust subsystems required for electric propulsion. SEPS can provide subsystem support to attached payloads for comet flyby and asteroid rendezvous. It can accommodate both planetary and geosynchronous missions by the use of mission-peculiar modules. In addition SEPS can assist the shuttle tug transportation system in earth-orbital applications. Aspects of mission analysis are discussed together with details of the electric propulsion system including solar array considerations.

Gilbert, J.↗

Synergism of He-3 acquisition with lunar base evolution

Researchers have discovered that the lunar surface contains a valuable fusion fuel element that is relatively scarce on Earth. This element, He-3, originates from the solar wind that has bombarded the surface of the Moon over geologic time. Mining operations to recover this resource would allow the by-product acquisition of hydrogen, water, carbon dioxide, carbon monoxide, methane, and nitrogen from the lunar surface with relatively minimal additional resource investment when compared to the costs to supply these resources from Earth. Two configurations for the He-3 mining system are discussed, and the impacts of these mining operations on a projected lunar base scenario are assessed. We conclude that the acquisition of He-3 is feasible with minimal advances in current state-of-the-art technologies and could support a terrestrial nuclear fusion power economy with the lowest hazard risk of any nuclear reaction known. Also, the availability of the by-products of He-3 acquisition from the Moon could significantly reduce the operational requirements of a lunar base and increase the commercialization potential of the base through consumable resupply of the lunar base itself, other components of the space infrastructure, and other space missions.

Crabb, T. M.↗

Two Paths from the Same Place: Task Driven and Human Centered Evolution of a Group Information Surface

This is the tale of two different implementations of a collaborative information tool, that started from the same design source. The Blueboard, developed at IBM Research, is a tool for groups to use in exchanging information in a lightweight, informal collaborative way. It began as a large display surface for walk-by use in a corporate setting and has evolved in response to task demands and user needs. At NASA, the MERBoard is being designed to support surface operations for the upcoming Mars Exploration Rover Missions. The MERBoard is a tool that was inspired by the Blueboard design, extending this design to support the collaboration requirements for viewing, annotating, linking and distributing information for the science and engineering teams that will operate two rovers on the surface of Mars. The ways in which each group transformed the system reflects not only technical requirements, but also the needs of users in each setting and embedding of the system within the larger socio-technical environment. Lessons about how task requirements, information flow requirements and work practice drive the evolution of a system are illustrated.

Russell, Daniel M.↗

Uncertainty Quantification for Capacity Expansion Planning

This report quantifies the uncertainty in output decisions from a Capacity Expansion Planning (CEP) model. The need to understand how uncertainties within CEP models and modeling assumptions affect Quantities of Interest (QoIs) such as expansion and operating costs, as well as expansion decisions remains an ongoing challenge in scientific research and industrial operations. This area of research is particularly important for models which seek to capture how large networks will evolve and operate under increased sources of variable generation, i.e., higher penetration of renewable technologies such as solar and wind generators. Uncertainty quantification (UQ) of CEP models which estimate expansion costs and decisions, and production cost models which estimate operating costs and dispatch decisions, is a key focus of research at NREL. The Regional Energy Deployment System (ReEDS) represents a state-of-the-art CEP model and considers a range of possible grid evolutions in an attempt to identify key drivers, ramifications, and decisions which contribute to better informed investment and policy decisions. However, research to quantify how uncertainties and model assumptions, such as unit commitment (UC), within ReEDS may be affecting its outputs remains challenging due to to size and complexity of the model

24 POWER TRANSMISSION AND DISTRIBUTION↗

Training practices for CEA engineers qualified in criticality safety - 14598

Soon after the Tokai Mura criticality accident, the French nuclear authority addressed nuclear operators to take measures regarding criticality safety. In CEA in particular after a thorough assessment of the late 1990's - early 2000's practices, the decision was taken to put up a training program in criticality safety for young (and 'old') nuclear safety specialists. The evolution of the training practices for the IQC (Ingenieurs Qualifies en Criticite - Engineers Qualified in Criticality safety) are presented hereafter, beginning with the first training session set up in October 2001 until now. This primarily deals with the kind of audience this training addresses (professional background), what is taught, learned, used later on and how one becomes an IQC. Furthermore, a discussion involves who recognizes the qualification, how long does one need to become a real criticality safety specialist on an operational basis, how the staff uses (or not) the knowledge and how this ensemble contributes to the professional careers advancement (criticality safety is a strong 'card'). The methodological documents in support of the IQC are also presented, particularly the last version of the 'criticality guide fiches (files, cards, sheets)' collection which summarizes the main aspects and principles of criticality safety (including the rudiments of neutron physics, criticality control modes, double contingency principle, etc.). (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Real-Time Evolution and Deployment of Neuromorphic Computing at The Edge

Extremely low power neuromorphic systems are well-suited for deployment to the edge for many applications. In many use cases of neuromorphic computing for control, a spiking neural network is trained off-line using a simulation and then deployed to a neuromorphic system at the edge, where it will operate without ongoing training or learning. However, it may be desirable to continue training or learning at the edge to refine or adapt to the real-world system. In this work, we propose an approach for performing real-time evolutionary optimization for spiking neural networks for neuromorphic deployment at the edge. In particular, we propose a combination of simulation and real-world evaluations, along with feedback from the real-world environment, to train spiking neural networks for continuous deployment to the edge. We show that the real-time evolution at the edge approach achieves comparable performance to an evolution approach that requires constant evaluation in the realworld environment.

Schuman, Catherine↗

Identifying electrochemical processes by distribution of relaxation times in proton exchange membrane electrolyzers

Distribution of relaxation time (DRT) is used to interpret electrochemical impedance spectroscopy (EIS) for proton exchange membrane (PEM) water electrolyzers, with an attempt to separate overlapped relaxation processes in Nyquist plots. By varying operating conditions and catalyst loadings, four main relaxation peaks arising from EIS can be identified and successfully separated from low to high frequencies as (P1) mass transport, (P2) oxygen evolution reaction kinetics, (P3) reaction kinetics (with faster time constant than P2), and (P4) ionic transport. Here, the shape, height, and frequency of the DRT peaks change with different membrane electrode assembly (MEA) configurations. Electron microscopy reveals distinct features from the cross-sectioned MEAs which verify critical DRT results in that increasing the iridium (Ir)-anode loading from 0.2 mgIr/cm 2 to 1.5 mgIr/cm 2 reduces kinetic losses due to higher site-access; a thick and compacted anode, however, also triggers higher ohmic resistances from membrane/catalyst layer hydration and increases transport losses due to longer ionomer pathways. DRT provides higher resolution to EIS for deconvoluting processes with different relaxation times and the quantification of DRT peaks improves the accounting of total losses from each process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Structure of the Electrical Double Layer at the Interface between an Ionic Liquid and Tungsten Oxide in Ion-Gated Transistors

The structure of electrical double layers at electrified interfaces is of utmost importance for electrochemical energy storage as well as printable, flexible, and bioelectronic devices, such as ion-gated transistors (IGTs). Here we report a study based on atomic force microscopy force–distance profiling on electrical double layers forming at the interface between the ionic liquid 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide and sol–gel films of mesoporous tungsten oxide. Here, we successfully followed, under in operando conditions, the evolution of the arrangement of the ions at the interface with the tungsten oxide films used as channel materials in IGTs. Our work sheds light on the mechanism of operation of IGTs, thus offering the possibility of optimizing their performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Extended Interfacial Stability through Simple Acid Rinsing in a Li-Rich Oxide Cathode Material

Layered Li-rich Ni, Mn, Co (NMC) oxide cathodes in Li-ion batteries provide high specific capacities (>250 mAh/g) via O-redox at high voltages. However, associated high-voltage interfacial degradation processes require strategies for effective electrode surface passivation. Here, we show that an acidic surface treatment of a Li-rich NMC layered oxide cathode material leads to a substantial suppression of CO 2 and O 2 evolution, ~90% and ~100% respectively, during the first charge up to 4.8 V vs. Li +/0 . CO 2 suppression is related to Li 2 CO 3 removal as well as effective surface passivation against electrolyte degradation. This treatment does not result in any loss of discharge capacity and provides superior long-term cycling and rate performance compared to as-received, untreated materials. We also quantify the extent of lattice oxygen participation in charge compensation (“O-redox”) during Li + removal by a novel ex-situ acid titration. Our results indicate that the peroxo-like species resulting from O-redox originate on the surface at least 300 mV earlier than the activation plateau region around 4.5 V. X-ray photoelectron spectra and Mn -L X-ray absorption spectra of the cathode powders reveal a Li + deficiency and a partial reduction of Mn ions on the surface of the acid-treated material. More interestingly, although the irreversible oxygen evolution is greatly suppressed through the surface treatment, our O K-edge resonant inelastic X-ray scattering shows the lattice O-redox behavior largely sustained. The acidic treatment, therefore, only optimizes the surface of the Li-rich material and almost eliminates the irreversible gas evolution, leading to improved cycling and rate performance. This work therefore presents a simple yet effective approach to passivate cathode surfaces against interfacial instabilities during high-voltage battery operation.

25 ENERGY STORAGE↗

Probing and exploiting the chaotic dynamics of a hydrodynamic photochemical oscillator to implement all the basic binary logic functions

The convective motions within a solution of a photochromic spiro-oxazine being irradiated by UV only on the bottom part of its volume, give rise to aperiodic spectrophotometric dynamics. In this paper, we study three nonlinear properties of the aperiodic time series: permutation entropy, short-term predictability and long-term unpredictability, and degree distribution of the visibility graph networks. After ascertaining the extracted chaotic features, we show how the aperiodic time series can be exploited to implement all the fundamental two-inputs binary logic functions (AND, OR, NAND, NOR, XOR, and XNOR) and some basic arithmetic operations (half-adder, full-adder, half-subtractor). This is possible due to the wide range of states a nonlinear system accesses in the course of its evolution. Therefore, the solution of the convective photochemical oscillator results in hardware for chaos-computing alternative to conventional complementary metal-oxide semiconductor-based integrated circuits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Effect of optical phonons on the charge qubit dynamics in a semiconductor microcavity

We consider the possibility of using optical vibrational degrees of freedom as an additional resource for controlling the evolution of a charge qubit based on a semiconductor single-electron double quantum dot. The effect of electron – photon – phonon processes on the accuracy of single-qubit operations is investigated. It is shown that, depending on the phonon decay rate and detuning of the electronic transition frequency from the optical phonon frequency, these processes can both facilitate and prevent coherent electron transfer between quantum dots. (quantum calculations)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Regularization scheme dependence of the counterterms in the galaxy bias expansion

In this paper we explore how different regularization prescriptions affect the counterterms in the renormalization of the galaxy bias expansion. We work in the context of primordial local non-Gaussianity including non-linear gravitational evolution. We carry out the one-loop renormalization of the field $δ$$^{ρ}_{2}$ (i.e. the square of the matter overdensity field) up to third order in gravitational evolution. Three regularization schemes are considered and their impact on the values of the counterterms is studied. We explicitly verify that the coefficients of the non-boost invariant operators are regularization scheme independent.

79 ASTRONOMY AND ASTROPHYSICS↗