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All sources NASA NTRS DOE OSTI

DOE OSTI2023

Nuclear Testing and the Joint Task Force System

During the 1940s, 50s, and early 60s, the United States conducted eight nuclear test operations in the far reaches of the Pacific Ocean. These operations were possible only because of a military command and control organization, the joint task force. Commanded by the Army Navy, and Air Force on a rotating basis, each of the seven JTFs provided the means by which the thousands of ships, planes, material, and personnel were moved over thousands of miles of ocean. The first task force, JTF-1, was created to test the destructive effects of the Fat Man bomb on Naval vessels at Bikini Atoll in the summer of 1946. Commanded by Vice Admiral William “Spike” Blandy, JTF-1 was a purely military operation supported by the MED. Never meant to be a permanent organization, JTF-1 was dissolved soon after completing its mission.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2020

Integral LOCA fragmentation test on high-burnup fuel

Increasing the fuel burnup limit in light water reactors is sought to enhance fuel cycle economics and requires establishing a technical basis. Experimental observations of severe fuel fragmentation under loss-of-coolant-accident conditions at Halden and Studsvik had raised the need for additional considerations during the development of this technical basis. These test data suggested that the burnup threshold for high burnup fuel fragmentation may be influenced by pre-transient power. Additional loss-of-coolant-accident test data is therefore valuable to complement these tests and enhance the current state of understating. Oak Ridge National Lab has developed the Severe Accident Test Station capable of examining the oxidation kinetics and accident response of irradiated fuel and cladding materials for design basis accident and beyond design basis accident scenarios. Severe Accident Test Station provides various temperature profiles, steam, and the thermal shock conditions necessary for integral loss of coolant accident testing, defueled oxidation quench testing, and high-temperature beyond design basis accident testing. Severe Accident Test Station has been successfully installed and demonstrated in the Irradiated Fuels Examination Laboratory at Oak Ridge National Lab. Furthermore, descriptions of the in-cell re-fabrication capabilities and assembly of the loss-of-coolant-accident test train are provided. Installation of the Severe Accident Test Station system and in-cell re-fabrication restores United States capability to examine postulated and extended loss-of-coolant-accident conditions on spent fuel and cladding and provides a platform for evaluating advanced fuel and accident-tolerant fuel cladding concepts. Lastly, three in-cell integral loss-of-coolant-accident test were performed in the Severe Accident Test Station and compared to the Nuclear Regulatory Commission sponsored loss-of-coolant-accident test as well as the original loss-of-coolant-accident test performed at Argonne National Lab. Finally, the results of these tests as well as all publicly available integral loss-of-coolant-accident test were used to validate a threshold for high burnup fuel fragmentation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Transient absorption spectroscopy to explore cellular pathways to photobiomodulation

Photobiomodulation (PBM) describes the use of low irradiance light in the red to near-infrared wavelength range to stimulate biological effects in tissue, and many biological and spectroscopic techniques are used to study PBM. However, these techniques focus on the products or downstream effects rather than the electronic transitions that initiate the PBM processes. This study presents a novel approach to studying low irradiance light exposures on individual proteins and/or protein complexes by combining a continuous wave (CW) laser diode with femtosecond transient absorption spectroscopy (TAS), coined here as CW-TAS, and tests the system on reduced cytochrome c (Cyt c) for proof of principle. TAS was conducted using a 532-nm excitation pump beam and a 350-600 nm supercontinuum probe. In this work, CW laser diodes with wavelengths of 450 nm, 635 nm, and 808 nm were interchangeably fiber coupled into the HELIOS Fire. Samples of Cyt c were tested by TAS using a pump power of 15 µW, both with and without CW exposure. CW exposures were carried out with irradiances of 1.60 and 3.20 mW/cm 2 , except for 808 nm, which was only tested at 1.60 mW/cm 2 . Both kinetic and global analyses were performed on the TAS data and the time constants for sets with and without CW exposures were compared. The TAS data for Cyt c with the full dosage of CW exposures did not alter the TAS data distinguishably from the control data. No new electronic transient signals were observed beyond the background when testing Cyt c with the CW exposures. Kinetic analysis confirmed that existing transients did not deviate beyond uncertainty. Global time constants for Cyt c were calculated to be 0.25 ± 0.03 ps and 5.1 ± 0.3 ps for the control study, and the time constants for the CW exposed Cyt c were not significantly different. This study concludes that CW irradiation, at doses delivered, does not alter the transient absorption data of Cyt c. The CW-TAS method provides a new tool for studying PBM effects in other proteins and protein complexes, such as Complex IV, in future studies.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Fully quantum calculations of O 2 –N 2 scattering using a new potential energy surface: Collisional perturbations of the oxygen 118 GHz fine structure line

A proper description of the collisional perturbation of the shapes of molecular resonances is important for remote spectroscopic studies of the terrestrial atmosphere. Of particular relevance are the collisions between the $\text{O}_2$ and $\text{N}_2$ molecules—the two most abundant atmospheric species. In this work, we report a new highly accurate $\text{O}_2(\text{X}^3Σ^–_g)–\text{N}_2(\text{X}^1Σ^+_g)$ potential energy surface and use it for performing the first quantum scattering calculations addressing line shapes for this system. We use it to model the shape of the 118 GHz fine structure line in $\text{O}_2$ perturbed by collisions with $\text{N}_2$ molecules, a benchmark system for testing our methodology in the case of an active molecule in a spin triplet state. The calculated collisional broadening of the line agrees well with the available experimental data over a wide temperature range relevant for the terrestrial atmosphere. This work constitutes a step toward populating the spectroscopic databases with ab initio line shape parameters for atmospherically relevant systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Operational Experience and Development of a Reliability Model for the ATR Demineralizer System (Slides)

The Advanced Test Reactor (ATR) is a light water reactor with aluminum clad driver fuel. Strict limits are implemented on pH, conductivity, and filterable solids to assure the performance of the driver fuel limit corrosion of the primary coolant system (PCS) pressure boundary components. A bypass demineralizer system is used to maintain PCS coolant within allowable bands for each of the aforementioned variables. Unlike many other reactors, the ATR does not have a filtration system. As such, failure of ion exchange resin in the bypass demineralizer can defeat the purpose of the system and result in high filterable solids in the PCS. Power operations with high filterable solids is prohibited by a technical safety requirement. This paper discusses recent failures of the ATR bypass demineralizer system. The testing and analysis done to deduce the cause of the failures is covered, as well as short term mitigative steps that were taken. To prevent the likelihood of future issues, historical data from the ATR and industry is used to develop a reliability model of the ATR bypass demineralizer system. Evidence of radiolytic decomposition of ion exchange resin was found in the cause investigation. As such, special attention is given to ion exchange resin failure due to high radiation environments. The reliability model is used to develop the ATR testing and maintenance program. Specifically, limits on resin service life are discussed.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

DOE OSTI2023

Development of In-Situ Chlorine Generator for Metal Purification (End of Contract Report)

It has been demonstrated that rare-earth and actinide metals can be purified via conversion to chlorides and heating to volatilize impurities. To this end, BYU has been working towards designing, building, and testing a system that incorporates the chlorine gas generation method into the chloride volatility process. The efforts made towards the project tasks listed in the Statement of Work are addressed in the following sections. Finally, a report on information related to this project that has been published or presented is addressed. By the end of the contract period, small-scale tests using LaCl 3 -CaCl 2 to generate Cl 2 had been conducted, the produced Cl 2 was successfully reacted with Ce foil to create CeCl 3 , initial designs for the large-scale apparatus were completed, and manufacturing for the large-scale apparatus had begun.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

An all-digital associated particle imaging system for the 3D determination of isotopic distributions

Associated particle imaging (API) is a non-destructive nuclear technique for the 3D determination of isotopic distributions. By detecting the alpha particle associated with the emitted neutron in the deuterium–tritium fusion reaction with a position- and time-resolving detector, the direction of the 14.1 MeV neutron and its time of emission can be determined. Employing this method, isotope characteristic gamma rays emitted in inelastic neutron scattering events can be correlated with the neutron interaction location. Here, an API system consisting of a sealed-type neutron generator, gamma detectors, and a position-sensitive alpha detector was designed, constructed, and characterized. The system was tested with common soil elements and shown to be sensitive to 12 C, 16 O, 28 Si, 27 Al, and 56 Fe. New aspects of our approach are the use of a yttrium–aluminum–perovskite scintillator, using a sapphire window instead of a fiber-optic faceplate for light transport to the photomultiplier, and the all-digital data acquisition system. We present a description of the system with simulations and experimental results that show a position resolution on the alpha detector of 1 mm, a depth resolution using a LaBr 3 detector of 6.2 cm, and an angular resolution of 4.5°. Additionally, we present single-element gamma response measurements for the elements mentioned above together with a comparison to Monte Carlo simulations (MCNP6).

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Dynamical instability in multi-orbiter systems with gas friction

ABSTRACT Closely packed multiplanet systems are known to experience dynamical instability if the spacings between the planets are too small. Such instability can be tempered by the frictional forces acting on the planets from gaseous discs. A similar situation applies to stellar-mass black holes embedded in active galactic nuclei discs around supermassive black holes. We use N-body integrations to evaluate how the frictional damping of orbital eccentricity affects the growth of dynamical instability for a wide range of K (the difference in the planetary semimajor axes in units of the mutual Hill radius) and (unequal) planet masses. We find that, in general, the stable region (large K) and unstable region (small K) are separated by a “grey zone”, where the (in)stability is not guaranteed. We report the numerical values of the critical spacing for stability Kcrit and the “grey zone” range in different systems, and provide fitting formulae for arbitrary frictional forcing strength. We show that the stability of a system depends on the damping time-scale τ relative to the zero-friction instability growth time-scale tinst: two-planet systems are stable if tinst ≳ τ; three-planet systems require tinst ≳ 10τ−100τ. When K is sufficiently small, tinst can be less than the synodic period between the planets, which makes frictional stabilization unlikely to occur. As K increases, tinst tends to grow exponentially, but can also fluctuate by a few orders of magnitude. We also devise a linear map to analyse the dynamical instability of the “planet + test mass” system, and find qualitative agreement with N-body simulations.

Li, Jiaru (ORCID:0000000155507421)↗

DOE OSTI2021

CATMoS: Collaborative Acute Toxicity Modeling Suite

Background: Humans are exposed to tens of thousands of chemical substances that need to be assessed for their potential toxicity. Acute systemic toxicity testing serves as the basis for regulatory hazard classification, labeling, and risk management. However, it is cost- and time-prohibitive to evaluate all new and existing chemicals using traditional rodent acute toxicity tests. In silico models built using existing data facilitate rapid acute toxicity predictions without using animals. Objectives: The U.S. Interagency Coordinating Committee on the Validation of Alternative Methods Acute Toxicity Workgroup organized an international collaboration to develop in silico models for predicting acute oral toxicity based on five different endpoints: LD50 value, U.S. Environmental Protection Agency hazard categories, Globally Harmonized System for Classification and Labelling hazard categories, very toxic chemicals (LD50 =50 mg/kg), and non-toxic chemicals (LD50 >2000 mg/kg). Methods: An acute oral toxicity data inventory for 11,992 chemicals was compiled, split into training and evaluation sets, and made available to 35 participating international research groups that submitted a total of 139 predictive models. Predictions that fell within the applicability domains of the submitted models were evaluated using external validation sets. These were then combined into consensus models to leverage strengths of individual approaches. Results: The resulting consensus predictions, which leverage the collective strengths of each individual model, form the Collaborative Acute Toxicity Modeling Suite (CATMoS). CATMoS demonstrated high performance in terms of accuracy and robustness when compared to in vivo results. Discussion: CATMoS is being evaluated by regulatory agencies for its utility and applicability as a potential replacement for in vivo rat acute oral toxicity studies. CATMoS predictions for over 800,000 chemicals have been made available via the NTP’s Integrated Chemical Environment. The models are also implemented in a free, standalone open-source tool, OPERA, which allows predictions of new and untested chemicals to be made.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

DOE OSTI2022

Using Information Automation and Human Technology Integration to Implement Integrated Operations for Nuclear

The purpose of the research effort described in this report is to develop and demonstrate an approach to the design and implementation of advanced, automated systems intended to increase operational efficiencies at nuclear power plants. In particular, we describe methods for considering human-technology integration (HTI) issues throughout the various phases of system design, test, and implementation and how these considerations help promote effective design. This research project will develop planning tools and comprehensive guidance on how HTI principles and methods, in combination with information automation technologies, can enable effective data integration and coordination for full nuclear plant modernization. Specifically, this research project will develop an approach to automate the mapping of data from plant systems and processes to application needs, thereby significantly reducing the amount of human workload currently required for the execution of these tasks. In addition to developing an automated solution as a replacement for these tasks, this research will also analyze digitalization’s effectiveness in reducing operational costs of compliance related activities. Compliance activities are estimated to account for as much as 50% of operations and maintenance (i.e., non-fuel and non-capital) costs of plant operation.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Efficient particle control in systems with large density gradients

Simulations of large density gradients present a number of challenges for direct Monte Carlo methods, since they lead to too few particles in dilute regions and prohibitively many in the dense regions. Here, we propose a particle control methodology that gives the user more control of the number of particles per cell by introducing a variable weight for each particle. The proposed scheme is based on the stochastic weighted particle method, requires only small modifications to DSMC, and exactly conserves mass, momentum, and energy. In validation tests of systems with density ratios of order 102-104, we observe 101-102 times less variance in the dilute region compared to a DSMC solution with the same number of system particles, while introducing a moderate additional computational cost.

DSMC↗

DOE OSTI2020

Distribution System Segmented Model Simplification with Independent Dynamically Changing End-Use Loads

With more emerging technologies in power distribution systems, to support quasi-static time-series (QSTS) simulation over short time frames, accurately modeling the dynamic behavior of end-use load under various conditions is im- portant. However, time and cost can be a burden for the QSTS simulation of thousands of houses representing dynamic load behaviors on large distribution feeders. There are two main contributions of this paper in order to reduce the QSTS simulation complexity. First, the paper presents a method to stochasti- cally model the dynamic behavior of end-use load for QSTS simulations. Second, using the stochastically modeled load behavior as an input to a distribution sys- tem, and building on our previous QSTS simulation simplification/acceleration method that relies on uniform load behavior, this paper presents a segment substitution approach for the simplification of distribution system models with independent dynamically changing end-use loads. Our numerical results show that compared to GridLAB-D, a software tool that simulates end-use load be- havior through physical models, the proposed stochastic modeling approach achieved an 89.3% simulation time reduction for end-use loads, while accurately capturing the temporally changing total load behavior. Moreover, the QSTS simulation of a large test distribution system through OpenDSS showed that the proposed simplification method decreased the feeder simulation time by a factor of three at less than 0.3% voltage error. Compared to our previous method with independent dynamic loads, the voltage error is reduced by a factor of four.

Power distribution system modeling, stochastic pro↗

DOE OSTI2022

A Novel and Secure Pseudovirus Reporter System Based Assay for Neutralizing and Enhancing Antibody Assay Against Marburg Virus

Marburg virus (MARV) is one of the principal members of the filovirus family, which can cause fatal hemorrhagic fever in humans. There are currently no prophylactic and therapeutic drugs on the market, and the high pathogenicity and infectivity of MARV make its research highly dependent on biosafety level 4 conditions, severely hindering the development of vaccines and therapies. Therefore, the development of medicines, such as MARV serological diagnosis, vaccines, and therapeutic antibody drugs, urgently needs a safe, convenient, and biosafety level 2 detection method to measure the neutralizing activity of MARV antibodies. To this end, we report a neutralization assay relying on a Rabies virus (RABV) reverse genetic operating system. We constructed infectious clones carrying the eGFP reporter gene and the full length of the original unmodified MARV GP gene. Based on the critical parameters of phylogenetic analysis, recombinant viruses targeting representative strains in the two major MARV lineages were successfully rescued. These pseudoviruses are safe in mice, and their inability to infect cells after being neutralized by antibodies can be visualized under a fluorescence microscope. We tested the system using the neutralizing antibody MR191. MR191 can significantly block the infection of BSR cells with pseudovirus. We compared it with the traditional lentivirus-type pseudovirus system to verify the system’s credibility and obtained the same results as reported in the literature. In general, we have established a safe and visualized method for evaluating the neutralizing activity of MARV antibodies. Compared with traditional methods, it has the advantages of convenient operation, short cycle, and low cost. It is a candidate method that can replace actual viruses for a neutralization assay.

Bi, Jinhao↗

DOE OSTI2024

EchemAMR (electro-chemical microsctructure scale models with adaptive meshing) [SWR-23-111]

A 3D microstructure resolving electrochemical transport and interfacial chemistry solver. Electrode microstructure plays an important role in determining the performance of an electrochemical system, e.g. lithium ion battery. EchemAMR is a microstructure scale model that solves the governing equations for ion transport, electrical current continuity, interfacial chemistry and structural mechanics. Complex microstructure geometries from imaging can be directly imported into EchemAMR. A volume fraction based description of the geometry on Cartesian grid with an immersed interface formulation enables simplified meshing and large-scale simulations with millions of degrees of freedom. EchemAMR has been tested against systems with analytic solutions for numerical convergence and highly resolved lithium ion battery microstructures. EchemAMR demonstrates excellent mass conversation and efficient scaling on heterogenous High-Performance Computing (HPC) with central and graphics processing units.

Sitaraman, Hariswaran↗

DOE OSTI2008

Vehicle Technologies Program: Energy Storage R&D (2008 Annual Progress Report)

One of the primary objectives of the Energy Storage effort is the development of durable and affordable advanced batteries (and ultracapacitors) for use in a full range of vehicle applications, from start/stop to full-power HEVs, EVs, and PHEVs. The battery technology development activity spans three areas: system development of full battery systems; benchmark testing of emerging technologies in order to remain abreast of the latest industry developments; and Small Business Innovative Research (SBIR) to fund early-stage R&D for small businesses/entrepreneurs.

25 ENERGY STORAGE↗

DOE OSTI2026

Hierarchical Truncations for Many-Body Expansion Potentials

In this work, a new strategy to truncate high-order terms in the many-body expansion (MBE) is proposed. This new approach, which we call a hierarchical many-body expansion (HMBE), is based on a hierarchical partition of the system into multitier fragments and can in principle be applied to any large molecular system. Numerical tests on a series of (H 2 O) 64 structures are presented, demonstrating satisfactory relative energies between the clusters and binding energies of individual clusters compared with full-cluster calculations, with significantly fewer high-order terms computed than conventional MBE. The hierarchical truncation can be augmented by certain many-body terms for fragments at the interface between the partitions (called “Schengen terms”) to further improve accuracy. This work establishes the HMBE scheme as a promising framework to model very large systems (e.g., proteins), which are naturally built on a hierarchical structure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

SMR Containment Cable and Electrical Penetration Assembly System

GAIN Project CRADA Number NFE-21-08839, entitled “SMR Containment Cable and EPA System” was initiated by the partnership of Oak Ridge National Laboratory (ORNL) and Engineered Solutions Group (ESG) to test an ESG-designed Electrical Penetration Assembly and Containment Cabling System Qualified for not only SMR technologies, but also Advanced Reactors design. An Electrical Penetration Assembly (EPA) is a component used to allow electrical power and signal conductors as well as optical fiber through the nuclear reactor’s containment structure while maintaining a pressure barrier. The EPA ensures the containment's integrity both during the normal operation and also accident conditions by providing a sealed passage for power and signals. This project was undertaken to fill the equipment gap of EPA and Cabling Systems that require much more severe environmental requirements than legacy plant applications present due to their smaller containment volumes that result in high energy densities compared to legacy designs. This high energy density results in severe accident environments and also more severe normal operating conditions.This document describes cost effective approaches to qualify a unique EPA for Small Modular Reactor (SMR) technologies as legacy LWR EPA technologies will likely have inherent material performance insufficiencies. The DBA profiles for SMRs (and some Advanced Reactor Technologies) are more severe than the legacy qualification requirements making the design of the qualification testing system challenging as the temperatures and pressures can approach the limits permitted by ASME Pressure Vessel Code, as well as accident temperatures exceeding the capability of polymeric gaskets and dielectrics. Small Modular Reactors are designed to have, as the name suggests, modularity which implies sized for factory fabrication and subsequent assembly at the power plant site. SMR containment is much smaller than a legacy Light Water Reactor containment. The containment walls are likely to be comprised of stainless steel. Qualifying Electrical Penetration Assemblies (EPAs) through these steel vessels are of interest in this work. Methods are presented here that discuss critical safety and cost effectiveness for these SMR EPA’s test systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Study on Intelligent Compaction-Equipment Logistics Scheduling and Propagation Characteristics of Vibration Wave in Nonlinear Systems with Multistability Based on Field Test

The equipment scheduling and propagation characteristics of vibration wave from vibratory roller ⟶ filling material nonlinear systems with multistability are the core problems of subgrade intelligent construction technology, and the logistics scheduling of the equipment is directly related to the construction efficiency. Aiming at the shortages, one typical subgrade located at the Gu’an station of Beijing-Xiong’an city railway is selected to research and finish the field tests; some findings are shown as follows: first, some valuable suggestions about the logistics scheduling of intelligent equipment are proposed, which can break the barriers between the organizations and improve construction efficiency; second, when the vibration wave propagates from the vibratory roller ⟶ surface of filling material ⟶ different buried depths of filling material, the peak acceleration of vibration wave gradually decreases and is hyperbolic distribution approximately. At the same time, the sensitive of attenuation is shown as follows: Z R 2 >0.9), and the concrete functional relationship among different amplitudes of harmonics can be summarized as y = Ae −BX ; fourth, the vibration energy is mainly concentrated near 10–30 Hz in the vibratory roller, but when the vibration wave propagates from vibratory roller⟶filling material, the vibration energy gradually decreases with the increase in depth, and the marginal spectrum gradually changes from one peak to two peaks, that is, 30–50 Hz and 50–100 Hz; fifth, the vibration energy in the vibrational wheel is distributed averagely in the compaction process, and the effective compaction time is two seconds, which will be helpful for revealing the propagation characteristics of vibration wave, optimizing the compaction quality control models and providing some support for the development of intelligent compaction theory of railway subgrade.

Han, Yixuan↗