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At least 523 records · Page 29

Revisiting Empirical Solar Energetic Particle Scaling Relations. I. Solar Flares

Aims. The possible influence of solar superflares on the near-Earth space radiation environment are assessed through the investigation of scaling laws between the peak proton flux and fluence of solar energetic particle (SEP) events with the solar flare soft X-ray peak photon flux. Methods. We compiled a catalog of 65 well-connected (W20-90) SEP events during the last three solar cycles covering a period of ∼34 yr (1984–2020) that were associated with flares of class ≥C6.0, and investigated the statistical relations between the recorded peak proton fluxes (I p ) and the fluences (F p ) at a set of integral energies from E > 10, > 30, and > 60 to > 100 MeV versus the associated solar flare peak soft X-ray flux in the 1–8 Å band (F SXR ). Based on the inferred relations, we calculated the integrated energy dependence of the peak proton flux (I p ) and fluence (F p ) of the SEP events, assuming that they follow an inverse power law with respect to energy. Finally, we made use of simple physical assumptions, combining our derived scaling laws, and estimated the upper limits for I p and F p focusing on the flare associated with the strongest ground level enhancement (GLE) directly observed to date (GLE 05 on 23 February 1956), and that inferred for the cosmogenic radionuclide-based SEP event of AD774/775. Results. A scaling law relating I p and F p to the solar soft X-ray peak intensity (F SXR ) as ∝ F 5/6 SXR for a flare with a F SXR = X600 (in the revised scale) is consistent with values of FP inferred for the cosmogenic nuclide event of AD774/775.

Athanasios Papaioannou↗

Ultrashort Pulsed Laser Treatment: A Novel Sterilization Method for Planetary Protection

Introduction: On missions seeking signs of potential life elsewhere in the solar system, we have an obligation not to bring our own Earthly life with us. Reducing the bioburden (number of living microbes) on spacecraft is therefore required by the COSPAR Policy on Planetary Protection to target bodies that are of interest for understanding the origins of life (such as Mars). The method of spacecraft sterilization predominantly used by NASA is Heat Microbial Reduction, which is typically incompatible with heat-sensitive components such as optics and electronics, and is expensive and time-consuming. Here, we present preliminary results on a novel method for spacecraft hardware sterilization: high-intensity ultrashort (femtosecond) pulsed laser illumination. Femtosecond lasers use extremely high photon fluxes (10^29 photons/sec*cm^2, ~0.03 J/cm^2) in extremely short pulses, which can inactivate even stress-tolerant microbial spores with minimal damage to the spacecraft surface. This rapid sterilization technique could be carried out in situ in a spacecraft assembly clean room using high-speed surface scanning, saving critical time and resources. It also can potentially remove or reduce debris from inactivated cells and spores. Methods: To develop optimal laser processing parameters for inactivating planetary protection-relevant organisms on metal surfaces, we inoculated 1-cm^2 mirror-polished aluminum coupons with Bacillus subtilis spores (2x10^5 spores/coupon) and tested the effect of several parameters, including pulse count and fluence. Sterilization effectiveness was measured by recovering spores using a PVA (polyvinyl acetate) peel and conducting serial dilution and plating for colony-forming units (CFUs). Results: Our results show that pulse count and fluence both affect sterilization effectiveness and that within a certain pulse count range, increasing fluence increases effectiveness. We have demonstrated the ability to reduce viable microbial counts by at least 10^-4. Future work will include testing higher abundances and different species of microorganisms, effectiveness on complex surfaces, compatibility with sensitive surfaces, and quantification of cell debris removal. Femtosecond pulsed laser illumination has the potential to provide dramatic savings in both cost and schedule over current methods of bioburden reduction to prevent forward contamination. It may also have the potential for use in surface sterilization of returned samples to prevent back contamination.

Planetary Protection; Lasers; Sterilization; Bacil↗

Single Integrated Flux Files to Account for Spacecraft Attitude Motion in Meteoroid Risk Assessments Using the NASA MEM3 and Bumper Codes

Spacecraft meteoroid risk assessments can be performed using NASA’s Meteoroid Engineering Model 3 (MEM3) and the Bumper risk assessment code. The MEM3 meteoroid flux is highly directional in heliocentric space. To represent the directionality, MEM3 outputs the flux in commonly used coordinate frames. For example, if a spacecraft attitude is fixed in the orbital tangential frame, a single Bumper run using the MEM3 flux file in the body-fixed frame can be performed. Cases exist in which the spacecraft does not remain fixed in one of these frames during a mission. This could be handled by performing a series of Bumper runs at points along the trajectory. For each trajectory point, the spacecraft has to be rotated into the frame in which the MEM3 flux file is defined. Another option presented here is to generate a single integrated flux (SIF) file. A SIF file is an average over a trajectory of the time varying MEM3 flux files rotated from their native frame into the spacecraft bus frame. A SIF file enables accounting for spacecraft rotation (coupled with flux variation over the trajectory) in a single Bumper run. An example of an application of SIF files is the meteoroid risk assessment for the Mars Sample Return (MSR) campaign Capture Containment and Return System (CCRS). This report discusses how SIF files were generated for the CCRS risk assessment and presents metrics on the accuracy of the impinging fluence that is generated when using the files. The results show a maximum difference per element in a finite element model within 1 percent for seven of the eight examined cases, with the outlier being less than 2 percent. The results also show that the maximum standard deviation of differences across all elements is within 0.275 percent. The maximum difference in the total fluence across all the elements is 0.0463 percent. The maximum difference in the mean fluence across all the elements is 0.0407 percent.

Meteoroids↗

Suitability of Type-II Fiber Bragg Gratings in Silica Optical Fiber for Temperature Sensing in TREAT

Optical fibers provide a variety of options for instrumentation in reactor environments. Optical fibers can be used to measure multiple physical phenomena including, temperature, strain, pressure, and fluid level. In addition to the various sensing applications, optical fibers are immune to electromagnetic interference, have a small footprint (~100 μm), and a fast response. The Department of Energy and Idaho National Laboratory have considered optical fibers for use as in-pile instrumentation in the Transient Reactor Test Facility (TREAT). TREAT was designed to test reactor fuels under accident conditions by replicating accident conditions for a variety of reactor transients, such as those associated with a loss of coolant accident (LOCA). This work investigates silica fiber optic temperature sensors with inscribed type-II fiber Bragg gratings (FBGs) under conditions similar to those that would be experienced in a TREAT transient. Separate effects testing was used to test the sensors under high-temperature step transients and under irradiation up to a total fluence similar to that of TREAT. Specifically, this work investigates distributed temperature measurements, using the Optical Frequency Domain Reflectometry (OFDR) sensing technique, using a Luna Innovations Optical Backscatter Reflectometer (OBR) 4600, with silica optical fibers inscribed with type-II fiber Bragg gratings (FBGs). In conclusion, separate effects testing of type-II FBGs in silica optical fiber, to high temperature and to neutron fluences that are an order of magnitude larger than fluences that are anticipated for TREAT tests, demonstrate that type-II FBGs in silica optical fiber hold great promise for high-temperature reactor instrumentation in TREAT.

McCary, Kelly↗

Thermal Model of the AGR-5/6/7 Experiment

Several fuel and material irradiation experiments have been planned for the U.S. Department of Energy Advanced Gas Reactor Fuel Development and Qualification Program, which supports the development and qualification of tristructural isotropic (TRISO) coated particle fuel for use in high-temperature gas-cooled reactors. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development of fuel performance models and codes, and provide irradiated fuel and materials for post-irradiation examination and safety testing. Originally planned and named as separate fuel experiments, but subsequently combined into a single test train, AGR-5/6/7 will test low-enriched uranium oxycarbide (UCO – a heterogeneous mixture of uranium oxide and uranium carbide) TRISO fuel. The AGR-5/6 portion of the experiment will provide data to support qualification of the selected reference fuel design, while the AGR-7 portion will serve as a margin test, irradiating the fuel beyond normal operating conditions. A thermal finite element model has been created for the five capsules comprising the AGR-5/6/7 experiment. Heat rates from a physics analysis are imported into the model along with fast neutron fluence. Graphite shrinkage due to the fast neutron fluence is incorporated into the model. Gas gaps change as a function of fast neutron fluence. Radiation heat transfer is a major contributor in this model. This is a large model with more than 1 million finite element brick elements. More than 150 different parts are modeled in the finite element model and communicate with each other from a heat transfer sense. More than 50 thermocouples are used in the experiment and are compared to actual measurements. The experiment is composed of five separate stainless steel capsules all welded together. Each capsule has its own Helium/.Neon gas mixture to help control the temperature of the capsule.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Thermal Model Heat Rate Predictions of the AGR-5/6/7 Experiment

Several fuel and material irradiation experiments have been planned for the U.S. Department of Energy Advanced Gas Reactor Fuel Development and Qualification Program, which supports the development and qualification of tristructural isotropic (TRISO) coated particle fuel for use in high-temperature gas-cooled reactors. The goals of these experiments are to provide irradiation performance data to support fuel process development, qualify fuel for normal operating conditions, support development of fuel performance models and codes, and provide irradiated fuel and materials for post-irradiation examination and safety testing. Originally planned and named as separate fuel experiments, but subsequently combined into a single test train. AGR-5/6/7 will test low-enriched uranium oxycarbide (UCO – a heterogeneous mixture of uranium oxide and uranium carbide) TRISO fuel. The AGR-5/6 portion of the experiment will provide data to support qualification of the selected reference fuel design, while the AGR-7 portion will serve as a margin test, irradiating the fuel beyond normal operating conditions. During irradiation, the temperature in each capsule is controlled by varying the helium / neon gas mixture flowing through the capsule until the desired thermocouple temperature is reached. Further adjustments can be made by changing the lobe power and the neutron filter. Three neutron filters are available to use as the experiment burns up the fissionable fuel. A thermal finite element model has been created for the five capsules comprising the AGR-5/6/7 experiment. Heat rates from a physics analysis are imported into the model along with fast neutron fluence. Graphite shrinkage due to the fast neutron fluence is incorporated into the model. Gas gaps change as a function of fast neutron fluence. Radiation heat transfer is a major contributor in this model. This is a large model with more than 1 million finite element brick elements. More than 150 different parts are modeled in the finite element model and communicate with each other from a heat transfer sense. More than 50 thermocouples are used in the experiment and are compared to actual measurements. The experiment is composed of five separate stainless steel capsules all welded together. This paper presents a method used to predict the gas mixture in the event that all of the thermocouples fail in a particular capsule. Curve fitting of heat rates from previous cycles and projecting them into the future is the basis of the method.

36 MATERIALS SCIENCE↗

High Temperature Irradiation Resistant Thermocouple Drift Model Application to Commercial Thermocouples

The Advance Sensors and Instrumentation fiscal year report on the direct application of the HTIR-TC drift model on other commercial thermocouples. The Type N and K thermocouples are useful in irradiation environments up to 1100°C (or 1290°C for short bursts and/or single use), but over temperature and high fluence can cause the TCs to drift. The HTIR-TC drift model predicts the end use environment of temperature and irradiation and the total time scale to show the amount of drift a thermocouple will undergo. The model predicts that HTIR-TCs at full temperature range and fluence of 10^21 N/cm^2 will exhibit a drift of under -1%. The type N and K TCs will see a drift of -0.5% at the same fluence, but temperatures below 1100°C. Above this temperature the Type N and K TCs quickly de-calibrate and will give erroneous temperatures measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Performance Before and After Irradiation of Pixelated 3D Silicon Sensors for the HL-LHC CMS Tracker

The Large Hadron Collider (LHC) particle accelerator at European Center for Nuclear Research (CERN) will be shut down starting in 2026 to achieve the High Luminosity Large Hadron Collider (HL-LHC) upgrade. The upgrade will allow for higher fluences, in order to increase the probability of detecting increasingly rare particles, and to obtain higher precision measurements of known particles. To accommodate the new accelerator conditions, many aspects of the Compact Muon Solenoid (CMS) detector will be upgraded; of particular interest for this thesis are the silicon pixel detectors located in the inner tracker. These will be replaced and upgraded to accommodate the higher fluences of the HL-LHC upgrade, as well as to replace existing sensors which have sustained radiation damage. In order for the new sensors to operate under high luminosity conditions, they must be increasingly radiation hard, and in order to detect rare particles, they must be increasingly more precise. The performance of one Centro Nacional de Microelectronica (CNM) 3D silicon sensor before and after undergoing irradiation at fluences similar to those which will be observed at the HL-LHC was investigated to determine radiation hardness and precision. Data was collected at Fermi National Laboratory (Fermilab), in the Fermi National Laboratory Test Beam Facility (FTBF) silicon tracker telescope, which can be used to determine the number of particles, and tracks made by high energy protons passing through. The sensor was also irradiated at Fermilab in the Irradiation Test Area (ITA). Prior to data collection a tuning procedure is carried out to determine ideal bias voltage operating conditions, mask noisy and dead pixels, adjust to the ideal threshold, and map sensor gain. Data is then collected at the FTBF, where the sensor is installed in the center of the FTBF silicon telescope. Variables, including angle and bias voltage, are varied throughout data collection. Data is then processed using an alignment software to determine the exact telescope geometry, along with the tracks which were observed passing through the sensor and telescope. Sensor performance was found to be comparable before and after irradiation, with irradiated results showing slightly lower efficiencies and cluster sizes. Position resolution is comparable both before and after irradiation, and similar distributions of cluster shape are observed. After irradiation, the sensor shows increasing collected charge with bias, an indication of increased width of the depletion region. Peak charge pre-irradiation is higher than post-irradiation peak charge, indicating the irradiated results are not taken under fully-depleted conditions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

First Step in Validating the Radiological Inventories of the Current French Nuclear Fleet - 19000

To anticipate the evolution of the mechanical characteristics of its PWR vessels, EDF developed a vessels fluence monitoring program. This program was based on vessel samples and neutron dosimeters deployed between the fuel assemblies and vessels. These samples and dosimeters are regularly analyzed in laboratories. To calculate the radioactive inventories, we have developed a calculation scheme which includes a 3D mapping of the neutron flux, the calculation of the radiological inventories of the structures of interest, and finally the validation of the results. The validation needs samples to propose calculation/measurement ratios. Unfortunately before the final shut down, the internal and vessel samplings are not possible. To anticipate the decommissioning of the current French nuclear fleet, this paper shows how the samples of the vessels fluence monitoring program can be used to validate the calculated radiological inventories. Using state-of-the-art simulations (i.e. 3D geometric model, 3D neutron sources, 3D neutron propagation, operational fuel loading coupled with effective power distributions) we calculated the radiological inventories of some vessel fluence monitoring program samples. The comparisons between calculated and measured results were done on 'standard chemical elements'. To qualify a chemical element as 'standard', many criteria must be satisfied such as a high concentration level, a low uncertainty about concentration, activation into an expanded cross section range, production of radionuclides having significant half-lives and finally no difficulties measuring the radionuclides produced. The retained 'standard' is Fe which produces, under neutrons flux, Fe-55. The comparisons show that the calculations slightly overestimate the measurements. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Reconstructing Solar Particle Event Spectra from Absorbed Dose Measurements

The space radiation environment is unlike anything encountered on Earth. It is dominated by heavy charged particles consisting of highly charged nuclei with atomic numbers ranging from 1 to 94 with a broad spectrum of kinetic energies. The three primary sources of radiation in space are trapped belts, galactic cosmic rays (GCRs), and solar particle events (SPEs). The trapped belts are only of concern near bodies with significant magnetic fields and GCR flux spectra are relatively well-predicted using models that account for solar modulation of the local interstellar spectrum. SPEs, which consist primarily of protons, are difficult to predict in terms of occurrence, duration, intensity, and energy spectrum. SPE intensity and energy spectrum are critical for understanding radiation exposure-related health effects for astronauts in space. The National Aeronautics and Space Administration (NASA) relies on data from the Geostationary Operational Environmental Satellite series to characterize intensities and energy spectra of SPEs near Earth. However, these data are not applicable for spacecraft in other regions of the solar system. To understand the radiation environment for astronauts embarking on travel beyond Earth orbit, NASA is developing the Hybrid Electronic Radiation Assessor (HERA), a distributed dosimetry system that employs a solid-state silicon sensor coupled with the Timepix readout chip. The pixelated nature of the detector permits detailed analyses of charged particle tracks which can then be used to characterize the fluence spectrum at the location of the detector. Despite the unprecedented level of detail regarding the radiation environment provided by these detectors, knowledge of the fluence spectrum at all locations within the vehicle, specifically inside of astronauts, is desired to fully characterize the associated risk of harmful health effects. Radiation transport of the external radiation environment, considering the shielding provided by the vehicle, other objects, and even astronauts, is performed to obtain this information. Thus, there is clearly a need to define the external radiation environment using measurements performed within the vehicle. The number of detectors that may be flown as a part of HERA is limited by logistics, including data, power, and mass restrictions. The current configuration for crewed flight consists of six detectors at various locations with in the Orion Multi-Purpose Crew Vehicle (MPCV). It follows that an external proton fluence spectrum can be characterized with at most six energy bins with traditional matrix inversion techniques. The purpose of the present study is to determine whether it is possible to reconstruct SPE spectra with greater resolution from absorbed dose measurements and knowledge of the response of individual detectors using linear programming.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Numerical Modeling of RBMK-1000 Graphite Stack Distortion

Engineering and detailed three-dimensional models of the RBMK-1000 graphite stack for modeling of its distortions caused by the appearance of longitudinal cracks in the blocks owing to the nonuniformity of the temperature and fluence distributions are described. As the neutron fluence accumulates and the limit longitudinal deflection of the graphite columns is reached, the graphite stack is repaired by cutting the graphite blocks. The developed models make it possible to evaluate the accumulation of deflection of the columns before and after repairs and the effectiveness of various repair schemes. The developed models are used to calculate the maximum deflection of the stack columns in the No. 1 unit of the Leningradskaya NPP for different operating conditions after repairs.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Damage development in neutron-irradiated concrete in a test reactor: Hygro-thermal and mechanical simulations

This paper reports the development of a 3D mesoscale hygro-thermal-mechanical simulation approach to predict damage in concrete irradiated in a test reactor. This framework, developed in MOOSE, considers the effects of elevated temperature, moisture content, and high neutron fluence (energy threshold, E > 0.1 MeV) on the mortar and aggregates separately. The first-stage simulation implements hygro-thermal analysis to determine the temperature and RH inside the specimen as a function of imposed radiation energy. These are used as inputs to the second stage, which considers radiation-induced volumetric expansion (RIVE) of aggregates, and creep, shrinkage, and stress-strain response of mortar to predict the expansion, stresses, and damage in specimens made using different coarse aggregates and subjected to different irradiation times. The irradiation time-dependent damage in the mortar is expressed using an isotropic damage parameter. This multi-physics model serves as a predictive tool for damage quantification in concrete due to neutron irradiation.

36 MATERIALS SCIENCE↗

A recoverable gas-cell diagnostic for the National Ignition Facility

The high-fluence neutron spectrum produced by the National Ignition Facility (NIF) provides an opportunity to measure the activation of materials by fast-spectrum neutrons. A new large-volume gas-cell diagnostic has been designed and qualified to measure the activation of gaseous substances at the NIF. This in-chamber diagnostic is recoverable, reusable and has been successfully fielded. Data from the qualification of the diagnostic have been used to benchmark an Monte Carlo N-Particle Transport Code simulation describing the downscattered neutron spectrum seen by the gas cell. We present early results from the use of this diagnostic to measure the activation of {sup nat}Xe and discuss future work to study the strength of interactions between plasma and nuclei.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Comparison of damage and ablation dynamics of multilayer dielectric films initiated by few-cycle pulses versus longer femtosecond pulses

The importance of high intensity few- to single-cycle laser pulses for applications such as intense isolated attosecond pulse generation is constantly growing, and with the breakdown of the monochromatic approximation in field ionization models, the few-cycle pulse (FCP) interaction with solids near the damage threshold has ushered a new paradigm of nonperturbative light–matter interaction. In this Letter, we systematically study and contrast how femtosecond laser-induced damage and ablation behaviors of SiO 2 /HfO 2 -based reflective multilayer dielectric thin film systems vary between FCP and 110 fs pulses. With time-resolved surface microscopy and ex situ analysis, we show that there are distinct differences in the interaction depending on the pulse duration, specifically in the “blister” morphology formation at lower fluences (damage) as well as in the dynamics of debris formation at higher fluences (ablation).

42 ENGINEERING↗

Calculation of Activated Water Radiation Maps in ITER

ITER is a nuclear machine designed for 500 MW DT fusion power emitting an immense power in the form of 14 MeV neutrons (∼400 MW). These high energy neutrons activate the water used to cool the first wall, blanket modules, vacuum vessel etc. The principal isotopes generated in water coolant are {sup 16}N and {sup 17}'N from oxygen isotopes. Both these radioisotopes are generated by neutrons having energy more than 10 MeV. Even though these isotopes are short-lived (T{sub 1/2} {sup 16}N: 7.13 s and T{sub 1/2} {sup 17}N: 4.17 s) they generate significant radiation fields outside the bio-shield due to high neutron fluence at irradiation end, large volume of the coolant, high speed of the coolant, emission of high energy nuclear radiations from {sup 16}N (gammas) and {sup 17}N (neutrons). Therefore, radiation fields generated by the activated water need to be calculated in order to design the plant systems to withstand radiation dosage and for the safety of the workers as per regulatory limits. This paper presents the calculation methodology of the {sup 16}N and {sup 17}N sources in the coolant lines, manifolds, heat exchangers etc., which are distributed over the wide area outside the bio-shield. The calculated source is modelled in the MCNP building model which is approximately 120 m x 80 m x 50 m. The building model has significant amount of shielding walls (∼3 m thickness). This presents a challenge to get the sufficient statistics everywhere in the global model. The radiation transport is performed with the code MCNP to calculate the radiation fields (biological dose rate, absorbed dose in silicon, 1 MeV silicon equivalent fluence, neutron flux) throughout the tokamak complex.

61 RADIATION PROTECTION AND DOSIMETRY↗

ITER Neutronic Challenges for Upper Port 14

The future of magnetically confined nuclear fusion facilities is extremely promising, yet there are extensive challenges that still have to be addressed. These challenges range significantly, but one of the more difficult challenges is nuclear shielding and nuclear safety. The challenge of adequately shielding neutrons is especially prevalent at ITER. Throughout the lifetime of ITER there will be large quantities of high energy (14.1- MeV) neutrons generated, with the expected neutron lifetime fluence to be around 0.3 MW.a/m{sup 2}. For such a large neutron fluence, shielding is a very important factor for the operation of ITER. Not only the shielding of the people that will be supporting the facility, but also to the components that surround the plasma. Without the many diagnostics that are planned for ITER operation, ITER would not be able to function. But with the inclusion of the diagnostics and the many apertures required, an interesting neutronics environment is created. This environment is like nothing we have seen or are currently able to create on the earth. Due to this unknown, significant time and effort is being placed on the research, design, and analysis of the ITER neutronics environment. A neutron has an interesting life after birth within the plasma on ITER. There are many different paths and reactions that can take place; so many, that trying to simplify the problem has brought significant unknowns into the analysis. Due to unique material compositions, neutron streaming paths, and neutronics requirements, the simplest of ITER neutronics calculations have to be thought out in great detail. Placing a new hole for a diagnostic creates a new streaming path; internal components must survive a high fast neutron flux, while external components face a completely different neutron energy spectrum of a high flux; material activation within human accessible areas must be maintained to an allowable level. As the complexity of the ITER device grows, so does the complexity of the neutronics challenges.

61 RADIATION PROTECTION AND DOSIMETRY↗

Progress of full-scale MCNP6{sup TM} model development of NuScale small modular reactor - 25394

This paper presents the recent progress of development of full-scale MCNP6{sup TM} small modular reactor within NuScale Power LLC (NuScale) using MCNP6{sup TM} version 1.0. This model currently is being used to determine of vessel neutron fluence, nuclear damage, and radiological consequence analysis. The results of the best estimate fluence analysis to support Design Certification Application (DCA) and technical details has been included within License Technical Report (LTR) which had been submitted to US NRC for review in 2017. Currently the detailed analysis of using this full-scale NuScale SMR model is focusing on operational radiological external dose exposure, nuclear damage, nuclear heating and neutron activation of SMR components to support optimized design and RAI (request additional information) response activities. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Nonequilibrium Lattice Dynamics in Photoexcited 2D Perovskites

Abstract Interplay between structural and photophysical properties of metal halide perovskites is critical to their utility in optoelectronics, but there is limited understanding of lattice response upon photoexcitation. Here, 2D perovskites butylammonium lead iodide, (BA) 2 PbI 4 , and phenethylammonium lead iodide, (PEA) 2 PbI 4 , are investigated using ultrafast transient X‐ray diffraction as a function of optical excitation fluence to discern structural dynamics. Both powder X‐ray diffraction and time‐resolved photoluminescence linewidths narrow over 1 ns following optical excitation for the fluence range studied, concurrent with slight redshifting of the optical bandgaps. These observations are attributed to transient relaxation and ordering of distorted lead iodide octahedra stimulated mainly by electron–hole pair creation. The c axis expands up to 0.37% over hundreds of picoseconds; reflections sampling the a and b axes undergo one tenth of this expansion with the same timescale. Post‐photoexcitation appearance of the (110) reflection in (BA) 2 PbI 4 would suggest a transient phase transition, however, through new single‐crystal XRD, reflections are found that violate glide plane conditions in the reported Pbca structure. The static structure space group is reassigned as P 2 1 2 1 2 1 . With this, a nonequilibrium phase transition is ruled out. These findings offer increased understanding of remarkable lattice response in 2D perovskites upon excitation.

36 MATERIALS SCIENCE↗