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At least 19 records

Radiative properties of quantum emitters in boron nitride from excited state calculations and Bayesian analysis

Abstract Point defects in hexagonal boron nitride (hBN) have attracted growing attention as bright single-photon emitters. However, understanding of their atomic structure and radiative properties remains incomplete. Here we study the excited states and radiative lifetimes of over 20 native defects and carbon or oxygen impurities in hBN using ab initio density functional theory and GW plus Bethe-Salpeter equation calculations, generating a large data set of their emission energy, polarization and lifetime. We find a wide variability across quantum emitters, with exciton energies ranging from 0.3 to 4 eV and radiative lifetimes from ns to ms for different defect structures. Through a Bayesian statistical analysis, we identify various high-likelihood charge-neutral defect emitters, among which the native V N N B defect is predicted to possess emission energy and radiative lifetime in agreement with experiments. Our work advances the microscopic understanding of hBN single-photon emitters and introduces a computational framework to characterize and identify quantum emitters in 2D materials.

Chemistry↗

Thermal radiation analysis of a pressurized oxy-coal combustor with discrete ordinate model

Concerns over climate change have led to numerous efforts in developing low-carbon energy technologies. Pressurized oxy-combustion (POC) is a promising candidate to reduce carbon emissions in power generation. Pressure strongly impacts thermal radiation, leading to a substantial difference in heat transfer between POC and conventional atmospheric pressure combustion. A good understanding of thermal radiation in POC is needed to aid new combustor development. The present work is a step in this direction, initiating a systematic analysis of thermal radiation and heat transfer in a pilot-scale POC combustor, which has been developed at Washington University in St. Louis (WUSTL). In a POC process, pulverized coal is burned under elevated pressure and O2-CO2 environment. Few researchers have investigated the thermal radiation of pressurized oxy-combustion. This work adopted the discrete ordinate model to simulate the radiation of a 1-D cylinder with predetermined conditions (temperature, pressure, gas compositions) to predict the influence of radiative properties of flue gas on the radiation in the combustor.

Li, Lei↗

Monte Carlo simulation analysis for radiation damage on Glidcop Al-15 caused by 17-20 MeV/u heavy ions

The Facility for Rare Isotope Beams (FRIB) SRF linear heavy-ion accelerator is designed to accelerate all ions up to uranium to a maximum beam power of 400 kW. Several beam intercepting devices (BIDs) are essential to the successful operation of the accelerator, including a low power charge selector (LPCS) made of copper containing 0.15% precipitated aluminum oxide by weight called Glidcop Al-15. As FRIB ramps up the primary beam power beyond the current 20 kW level, the charge selector must withstand higher radiation damage rates, typically measured in displacements per atom (dpa). Significant beam induced radiation damage including significant deformation, like swelling, blistering, and cracking has been observed on a recently removed LPCS. We also observed physical features up to about 5.5 mm wide and appear to be deeper than the projected range of any ions. This paper presents the results of Monte Carlo simulations carried out using the Particle and Heavy Ion Transport code System (PHITS), quantifying the total damage dose and ion concentration, etc. Simulating an accurate irradiation history is essential to determining the scope of post irradiation examination (PIE) work.

Fletcher, Ethan [Michigan State U.]↗

Effects of Exercise During Radiation Therapy on Physical Function and Treatment-Related Side Effects in Men With Prostate Cancer: A Systematic Review and Meta-Analysis

Radiation therapy is a commonly used treatment for prostate cancer; however, the side effects may negatively affect quality of life and cause patients to be less physically active. Although exercise has been shown to mitigate radiation therapy–related fatigue in men with prostate cancer during radiation therapy, other adverse effects of treatment such as physical deconditioning, urinary symptoms, or sexual dysfunction have not been systematically reviewed in this patient population. Thus, the purpose of this review was to investigate the effect of exercise on physical function and treatment-related side effects in men with prostate cancer undergoing radiation therapy.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

Advanced Graphite Creep Uncertainty Analysis

Radiation damage estimation is an important component of the post irradiation analysis of the Advanced Graphite Creep (AGC) experiment. It depends primarily on the fast fluence, which is determined using well established methods of spectral adjustment. These are based on best estimates from models such as Monte Carlo N-Particle (MCNP), input cross-sections, and measured activities from flux wires in the experiment. Each of these parameters can propagate uncertainties which will affect the uncertainty in the calculated dose levels for AGC, or any experiment irradiated within a reactor. While the methods of propagating uncertainty are well-established, the final uncertainty estimates they provide are only as good as the estimates of uncertainty in the inputs on which they are based. The purpose of this work is to outline some deficiencies in the ways these input uncertainties are presently estimated, and to outline a methodology by which they can be improved. The fast fluence and radiation damage received by graphite specimens irradiated in the Advanced Graphite Creep (AGC) experiments is presently estimated using spectral adjustment methods that are based on both flux wire activity measurements, and MCNP model predictions. This work describes an ongoing effort to quantify and propagate uncertainties in inputs to the spectral adjustment process, and thereby quantify the resultant error in radiation damage (dpa) estimates. The effort is multi-faceted, and we consider the impacts of both the set of flux wires selected, and the counting process. An expanded set of flux wires is identified that provides a more comprehensive data set on the fast spectrum. To address the counting process itself, a series of round-robin measurements in several reactor metrology laboratories across the Department of Energy (DOE) complex and nuclear industry are being undertaken to refine the American Society for Testing and Materials (ASTM) standards for flux wire measurements. To address the contribution of uncertainty in the MCNP model predictions, an uncertainty quantification (UQ) tool has been developed that statistically samples the model input parameters, runs a series of cases, and assimilates the results to provide an overall uncertainty. The impact of the MCNP UQ tool results is demonstrated by re-analyzing previous AGC flux wire and irradiation data. While the expanded flux wire set obviously cannot be added to these experiments retroactively, plans for future graphite irradiations are outlined.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

3D radiated power analysis of JET SPI discharges using the Emis3D forward modeling tool

Abstract Precise values for radiated energy in tokamak disruption experiments are needed to validate disruption mitigation techniques for burning plasma tokamaks like ITER and SPARC. Control room analysis of radiated power ( P rad ) on JET assumes axisymmetry, since fitting 3D radiation structures with limited bolometry coverage is an under-determined problem. In mitigated disruptions, radiation is toroidally asymmetric and 3D, due to fast-growing 3D MHD modes and localized impurity sources. To address this problem, Emis3D adopts a physics motivated forward modeling (‘guess and check’) approach, comparing experimental bolometry data to synthetic data from user-defined radiation structures. Synthetic structures are observed with the Cherab modeling framework and a best fit chosen using a reduced χ 2 statistic. 2D tomographic inversion models are tested, as well as helical flux tubes and 3D MHD simulated structures from JOREK. Two nominally identical pure neon shattered pellet injection (SPI) mitigated discharges in JET are analyzed. 2D tomographic inversions with added toroidal freedom are the best fits in the thermal quench (TQ) and current quench (CQ). In the pre-TQ, 2D reconstructions are statistically the best fits, but are likely over-optimized and do not capture the 3D radiation structure seen in fast camera images. The next-best pre-TQ fits are helical structures that extend towards the high-field side, consistent with an impurity flow under the magnetic nozzle effect also observed in JOREK simulations. Whole-disruption radiated fractions of 0.98 + 0.03 / − 0.29 and 1.01 + 0.02 / − 0.17 are found, suggesting that the stored energy may have been fully mitigated by each SPI, although mitigation efficiencies well below ITER and SPARC requirements for high energy pulses are still within the large uncertainties. Emis3D is also used to validate JOREK SPI simulations, and confirms improvements in matching experiment from changes to impurity modeling. Time-dependent toroidal peaking factors are calculated and discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Radiation Shielding Analysis of Linac Extension Area in APS Using FLUKA and PHITS Monte Carlo Radiation Transport Codes

The Linac extension area tunnel can accept 300- to 500-MeV electrons for experiments. Radiations from various normal and accident beam loss scenarios were analyzed with the FLUKA and PHITS Monte Carlo radiation transport codes. In normal beam loss scenarios, the beam was dumped on the horizontal and vertical beam dumps, while the accident scenarios were horizontal and vertical mis-steered beams that can occur due to incorrect beam energy and magnet settings. The extent of beam deviation, which was established using particle tracking studies, was used to define the beam directions in the Monte Carlo transport calculations. Further, a mis-steered condition, where the beam was not intercepted by the dumps, was also analyzed. For the horizontal dump, the PHITS results above the berm were higher for neutrons and somewhat lower for photons, compared to the FLUKA results. Comparison of the secondary particle yields from FLUKA and PHITS from an Al block with dimensions comparable to what was used in the beam dumps showed a 40% higher neutron yield and a 10% lower photon yield. Finally, to ensure compliance with Argonne National Laboratory's shielding policy, the design of the horizontal beam dump was modified, and additional shielding was recommended.

FLUKA↗

EPCAPE Stratiform Cloud Analysis for Radiative Properties Experiment (SCARPE) Field Campaign Report

A unique attribute of the Eastern Pacific Cloud Aerosol Precipitation Experiment (EPCAPE) is the availability of an elevated secondary measurement site just 5 km from the main U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) Mobile Facility (AMF) deployment on Scripps Pier. Mount Soledad, at 250 m elevation, offers the ability to frequently measure aerosol chemical and microphysical properties within the low-level Eastern Pacific coastal stratiform clouds that the AMF is observing from below. Based on the EPCAPE experiment design to deploy three major systems on Mount Soledad—the scanning radars, the Russell aerosol mobile laboratory, and an ARM microwave radiometer (MWR)—an additional plan was made to deploy a suite of Eppley Laboratory radiometers at this site to measure the radiative response to instantaneous changes in observed aerosol properties and MWR retrieved cloud liquid water path (LWP). This supplemental field campaign was proposed as the Stratiform Cloud Analysis for Radiative Properties Experiment (SCARPE).

54 ENVIRONMENTAL SCIENCES↗

Radiation shielding analysis of the small-angle X-ray scattering flight tube end station of APS upgrade project

The CSSI beamline of the APSU will have a 20.5 m long, 2.75 m diameter SS end station designed to accept pink beam. In this work, the radiation shielding analysis of this end station is analyzed using STAC8 and FLUKA codes. Effect of mirror properties such as reflectivity, coating, inclination and roughness as well as variation in the steel composition are also studied. 8 mm thick SS is found to be adequate if the source is defined by a pinhole and the white beam is reflected with two mirrors inclined at 3.0 mradian or more. The dose rates from monochromatic beams are found to be below the desired levels when the XOP calculated bandwidth (BW) are used while the use of a flat 0.1% BW requires the mirror inclinations to be above 2.5 mradian or more. STAC8 results are consistently higher than the FLUKA results by about 1.5–2.0 times.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Thermo-Mechanical Shock, X-Ray Transport and Radiation Response Analysis Experiments on NIF

The study of x-ray induced rapid heating and the resulting material responses - (thermomechanical shock (TMS) and thermo-structural response (TSR)) - is important to our understanding of material behavior in extreme environments. A series of high conversion efficiency (XRCE) x-ray sources have been developed for the NIF laser facility ranging in fluence and spectral content. In conjunction with source development, we have developed a new XTRRA (X-ray Transport and Radiation Response Analysis) test cassette to hold a set of samples, each at equal distance from target chamber center (TCC) where the x-ray source is placed. Design and performance details of the x-ray sources is discussed elsewhere. Here, we describe the development and use of this TMS XTRRA test cassette. The XTRRA test cassette is a snout mounted on a NIF Diagnostic Instrument Manipulator (DIM) designed to position six samples equidistant from the x-ray source to assure uniform irradiation of all samples. Photon Displacement interferometry (PDI) is used to measure the displacement of the rear surface of each sample resulting from x-ray exposure on the front of the sample. This will help determine the x-ray generated impulse on the sample. The samples are retrieved from the snout after the shot for inspection and post-shot analysis including the measurement of sample ablated mass and engineering tests examining changes in the material structure. The data from experiments are compared to predictions from LLNL’s ASC codes and used to inform models implemented in these codes. Thus, XRCE x-ray sources with the XTRRA snout at the National Ignition Facility (NIF) laser at the Lawrence Livermore National Laboratory provide the ability to expose a broad range of material samples directly to high x-ray fluence, measure shock transits, and recover the sample for further analysis post-shot.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

A machine learning framework for accurate and robust analysis of radiation detector pulses

The microscopic properties of atomic nuclei are used to study various scientific questions. They are essential for understanding the fundamental forces of nature and the chemical evolution of the universe. Detecting decay radiation from radioactive nuclei makes it possible to probe these fundamental nuclear properties. Detector waveform traces may contain additional information about the radiation. Generally, advanced signal processing techniques are needed to extract this additional information, often involving fitting the waveform with model response functions using non-linear least-squares optimization with second-order gradient methods. While this is a powerful technique, it is also computationally expensive, leading to slow processing time, which scales with the volume of data. To address this problem, we have developed a machine learning (ML) approach that infers the characteristics of traces from a model detector response function. In particular, we are interested in classifying whether a single recorded trace consists of one or two pulse constituents and estimating the pulse parameters. Furthermore, our proposed ML method can precisely extract the pulses’ parameters, such as energy and timing information, and accurately classify the pulse multiplicity of a trace. Unlike non-learning-based approaches, our ML approach uses neural networks that are significantly faster at inference, as they do not require any optimization during this stage.

Curve fitting↗

Radiation Damage Analysis of FNSF Components Using McCad and MCNP

The Fusion Energy System Studies Fusion Nuclear Science Facility (FESS-FNSF) concept represents a transitional step between ITER and a commercial fusion power plant. The FNSF is a conceptualized D-T fueled tokamak with 518 MW of fusion power that has been extensively used to explore and optimize design features. The energetic 14.1-MeV neutrons can produce significant localized heating and activations, and can cause damage to plasma-facing components, which can determine maintenance/outage scheduling needs and also impact the lifetime of the device as a whole. This study illustrates a neutronics analysis that was conducted on a 22.5-degree symmetric sector of the FNSF with the goal of understanding the neutron heating and radiation damage that can be characterized by quantifying the displacements per atom (dpa). Concurrently, this study also focused on the development of analysis capabilities by converting a three-dimensional computer-aided design model of the FNSF into MCNP6.2 input using the McCad code. Accordingly, some confirmatory results on tritium production and the tritium breeding ratio (TBR) are provided to support model validation. The results produced by MCNP6.2 simulations showed that the highest heating and damage occurred in the outboard region, which concentrated approximately 290 MW of the total nuclear heating, in contrast to 97 MW within the inboard region. These results are consistent with previous studies that employed earlier versions of the FNSF concept and different modeling approaches. Furthermore, this study also provides additional details on neutron wall loading, as well as total heating from neutrons and gammas, results which show the total heating of the device (16 sectors) is approximately 477.83 ± 0.80% MW, indicating a neutron energy multiplication factor of 1.15. Additionally, the capability to calculate hydrogen and helium production, as well as dpa, is illustrated. Finally, the neutronics effects of using alternative materials to tungsten carbide were evaluated for the vacuum vessel, low-temperature shield, and structural ring components, which showed that compounds like YH 2 , Mg(BH 4 ) 2 , and ZrH 2 could reduce the total heating on the magnet and also reduce the TBR.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Early-Stage Radiation Safety Analysis for the Spallation Neutron Source Second Target Station Bunker Operations

The Second Target Station project at Oak Ridge National Laboratory will develop a cold neutron source to meet growing experimental needs. This paper describes calculations of the residual dose rates associated with the monolith shield plug and the beamline bunker, two key conventional operations and radiation safety features. While neutron production is active, the instrument hall outside the bunker must be generally accessible with dose rates of less than 0.25 mrem/h. When neutron production is halted, the bunker must be accessible for hands-on maintenance operations. Further, these two requirements form the cause for the assessments reported herein of residual dose rates caused by the monolith shield plug and residual dose rates in the bunker. The monolith shield plug was shown to not produce significant dose rates inside the bunker after a 20-year lifetime, and the residual dose rates inside the bunker for the case of an operating beamline were shown to reasonably allow for hands-on maintenance. These calculations are based on preliminary design models of the relevant systems. Additionally, an example showing the significance of considering neutron supermirror physics in transport calculations that track nuclide production and destruction rates to produce gamma sources for residual dose rate calculations is included. The example shows that if neutron supermirror physics is not considered, dose rate fields may be significantly underpredicted.

61 RADIATION PROTECTION AND DOSIMETRY↗

Improving operational performance using machine learning analysis of Radiation Portal Monitor measurements

Radiation Portal Monitors (RPMs) have been installed worldwide to scan vehicles and cargo for the presence of radiological and nuclear materials. In field operations, the sensitivity of these systems is typically limited by the relatively high rates of nuisance alarms that usually must be followed up with secondary inspections. We have developed a machine-learning based alarm analysis system that has been deployed at numerous locations in the U.S. and internationally. Our Enhanced Radiological Nuclear Inspection and Evaluation (ERNIE) analysis software and its derivatives have demonstrated increased sensitivity to radiological and nuclear material of concern while reducing nuisance alarms by as much as an order of magnitude.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Radiation Shielding Analysis of Niowave’s Uranium Target Assembly 2 (UTA-2) Facility for Molybdenum-99 Production

Niowave is seeking to develop a commercial medical isotope production process using a low-enriched uranium accelerator-driven subcritical reactor (ADSR) system to produce molybdenum-99. As part of the US Department of Energy national laboratory support to develop low enriched uranium molybdenum-99 production technologies, Oak Ridge National Laboratory is providing research and development resources to assist Niowave in the design and licensing process of its technology. The goals of this work under the radiation shielding task are to assist Niowave in developing a methodology and framework for efficient radiation shielding simulations of their Uranium Target Assembly 2 facility and to provide preliminary radiation shielding calculations and design recommendations for the facility.

07 ISOTOPE AND RADIATION SOURCES↗

Radiation Shielding Analysis for the PIP-II Linac at Fermilab

The Proton Improvement Plan-II (PIP-II) [1] has been developed at Fermilab to provide powerful proton beams to the laboratory’s experiments. An 800-MeV superconducting linear accelerator—a centerpiece of the project—is currently under construction in Batavia, Illinois (USA). After completion, the superconducting linac will be the starting point for the 1.2 MW (Phase 1) and 2.4-MW (Phase 2) proton beam that is needed for the Long-Baseline Neutrino Facility (LBNF) at Fermilab [2]. Due to unavoidable loss of a fraction of the beam in the accelerator components, a certain level of radiation will be generated in the accelerator tunnel both during normal operation and at accidents. This work deals with radiation shielding design for the accelerator facility.

Rakhno, Igor↗