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DOE OSTI2022

Understanding the fundamental driver of semiconductor radiation tolerance with experiment and theory

Space is the operating environment of a multitude of systems that our society is heavily reliant on today, however, maintaining operability there necessitates special consideration of the electronic systems' tolerance of space radiation. Electronic systems are critically dependent on the electronic properties of their semiconductor components, which are modified by space radiation with an adverse impact on the space system performance. What innate property allows some semiconductors to sustain little damage while others accumulate defects rapidly with dose is poorly understood, which limits the extent to which radiation tolerance can be implemented as a design criterion. Here, to gain insight into what properties are drivers of semiconductor radiation tolerance, the first step is to generate a dataset of the relative radiation tolerance of a broad sampling of semiconductors. To accomplish this, Rutherford backscatter channeling experiments are used to compare the displaced lattice atom buildup in InAs, InP, GaP, GaN, ZnO, MgO, and Si as a function of stepwise alpha particle dose. With this experimental information on radiation-induced incorporation of interstitial defects in hand, hybrid density functional theory electron densities (and their derived quantities) are calculated and their gradient and Laplacian are evaluated to obtain key fundamental information about the interactions in each material. It is shown that simple, undifferentiated values (which are typically used to describe bond strength) are insufficient to predict radiation tolerance. Instead, the curvature of the electron density at bond critical points provides a measure of radiation tolerance consistent with the experimental results obtained. This curvature and associated forces surrounding bond critical points have the potential to disfavor the localization of displaced lattice atoms at these points, favoring their diffusion toward perfect lattice positions. With this criterion to predict radiation tolerance, simple density functional theory simulations can be conducted on potential new materials to gain insight into how they may operate in demanding high radiation environments.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Direct current response of a thin scCVD diamond detector under increased applied field to 14.1 MeV neutrons

An avalanche effect yielding inherent gain can be exploited in thin, single-crystal chemical vapor deposition (scCVD) diamond. It occurs when a high enough bias is applied across the diamond thickness while avoiding breakdown. This charge multiplication effect was studied previously with alpha particles and heavy ions either by using the transient current technique or by measuring the energy spectrum. The measurements we obtained to evaluate the charge multiplication performance of a 10 μm thick scCVD diamond detector used a novel approach—we employed an electrometer to characterize the response of the detector by performing directly coupled current measurements (time-averaged charge, at 1 Hz sampling) when exposed to 14.1 MeV neutrons from deuterium-tritium fusion. We measured both the dark and irradiated currents from the detector over a range of applied displacement field values from 2 to 75 V/μm. A histogram method with central mean and standard deviation width was used to determine the current over each measurement duration typically from 100 to 300 seconds. The dark-subtracted irradiated current (i.e., contrast) was used to evaluate the gain of the detector at each applied displacement field. The contrast at an applied displacement field between 15 and 20 V/μm was higher than the expected linear increase in contrast proportional to the increased applied bias, indicating the possible presence of avalanche events in the diamond. The detector response also indicated possible polarization and charge depletion effects. These results provide an opportunity to further explore the use of thin scCVD diamond as a fast neutron current mode detector with inherent gain.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Activator-doped Hg 2 Br 2 as next generation high performance scintillator for high energy physics research and other scientific and imaging applications

Existing COTS inorganic scintillators all have the characteristic of being very good at certain desirable properties, but not sufficient at other desirable properties for HEP. The demand for suitable scintillators (with regards to both scintillation detector properties and suitable pricing), to be used for modern intensities frontier (Mu2e-II), energy frontier (High luminosity large hadron collider) and future e+e- collider projects (aimed as Higgs bosons factory, such as the International Linear Collider (ILC) and the Future Circular Collider (FCC) are putting even higher challenges on crystal scintillators.In this work, we report the development of a novel high-performance scintillators that can address the issues associated with existing scintillators, the activator doped Hg2Br2. Initial results are very encouraging on the detection of gamma and alpha particles using a solid-state photomultiplier (SSPM). The responses have been stable and repeatable. Hg2Br2 also has many advantages over existing COTS scintillators such as: high density, bright, fast, good energy resolution, no intrinsic radiation, radiation hard and cost-effectiveness. Here, we present here why Hg2Br2 is the next generation scintillator for high energy physics experiments as well as other scientific and imaging applications such as planetary science and medical imaging.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Mass-Energy Compensation Effect of 3$\alpha$ Hamiltonian

The 3α phenomenological model describes the structure of the carbon-12 nucleus as a cluster of three alpha particles. This model includes a pairwise α–α interaction and a three-body force. To fit the three-body potential, the 12 C data are used, while ensuring that the pair potential reproduces the α–α scattering data. Alternatively, the mass-energy compensation (MEC) effect can be used to simulate the effect of the three-body potential by adjusting the mass of the α particle within the effective-mass approach. We demonstrate the MEC effect for the 3α ground state by numerically solving the differential Faddeev equation, in which the α–α interaction is described by the Ali-Bodmer potential. The effective masses of α particles are evaluated for the ground and excited 0 + and bound 2 + states. Here, we demonstrate a coupling between the ground and first excited 0 + states, indicated by an anti-crossing of these energy levels in the energy–mass coordinates. A correspondence between the effective mass and a three-body potential is demonstrated. We discuss the results of the 0$^{+}_{2}$ calculations for various models of the α–α interaction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

coh3

CoH3 (CoH ver.3) is an optical model, exciton pre-equilibrium, and Hauser-Feshbach statistical model code, which calculates nuclear reaction cross sections for medium to heavy targets in the keV to MeV energy region. This program is written in standard C++, divided into approximately 200 source and header files. CoH solves the Schroedinger equation for optical potentials defined in the code, and calculates differential elastic scattering, reaction, and total cross sections, for neutron, proton, deuteron, triton, 3He, and alpha-particle. Deformed optical potentials are solved with the coupled-channels method, in which the ground state rotational band members, or vibrational phonon states are coupled. The optical model gives particle transmission coefficients that are fed into the statistical model calculations. CoH includes the pre-equilibrium model (exciton model), the direct/semidirect capture model, and the multi-stage Hauser-Feshbach statistical decay with width fluctuation correction based on the Gaussian orthogonal ensemble. For weakly coupled levels, the DWBA (distorted wave Born approximation) method is used to calculate the direct inelastic scattering process to the excited states.

Kawano, Toshihiko↗

DOE OSTI2024

ENDF/B-VIII.1: Alpha Reaction Sublibrary

The alphas sublibrary aims to describe nuclear reactions between incident alpha particles and different nuclei. For ENDF/B-VIII.1, the LLNL ECPL evaluation for 6Li, and the JENDL-based NNL evaluations of 9 Be and 16,17 O were adopted. Also, there were minor fixes done to 4 He.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2022

Multiphysics FISPACT-II and TENDL-2019 simulation: neutron-induced damage metrics

Nuclear interactions can be the source of atomic displacement, irradiation-induced defects and transmutation in structural materials. Such quantities are derived from, or can be correlated to, nuclear kinematic simulations of primary atomic energy distributions spectra and the quantification of the numbers of secondary defects produced per primary as a function of the available recoils, residual and emitted, energies. Recoil kinematics of neutral, residual, gas, proton, alpha particle emissions are now more rigorously treated based on recent, complete and enhanced nuclear data parsed in state-of-the-art processing tools. Defect production metrics are the starting point in the complex problem of correlating and simulating the behaviour of materials under irradiation, as experimental information is rare or scattered. Detailed, segregated primary knock-on-atom metrics are now becoming available as the starting point of further simulation processes of isolated and clustered defects in material lattices. This allows more materials, lattices, neutron incident energy ranges, and irradiation conditions to be explored with sufficient data to adequately cover both standard and novel applications and materials: the broader reactor applications landscape. The damage metrics of of materials are systematically explored under typical but different reactor's type environment. The inventory code FISPACT-II combined with the enhanced nuclear data forms of the TENDL-2019 libraries allow one to not only calculate dpa from mostly scattering events but to also properly predict gas production, nuclear heating and transmutation under the same conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2020

Radionuclide Screening Analysis and Transport Parameters for Pahute Mesa Detonations, Nevada National Security Site

A “screening analysis” is implemented at Pahute Mesa (PM), Nevada National Security Site (NNSS), to determine subsets of the 43 radionuclides listed in the radionuclide inventory of Finnegan et al. (2016) that are of relevance or potential relevance to the hydrologic source term (HST) for assessment of radionuclide transport in groundwater. Consideration is added to how levels of contamination are defined and whether any other radionuclides not in the inventory are relevant to the HST. A model is developed to estimate a range of possible source concentrations in groundwater that account for uncertainty in partitioning into melt glass and sorption into surrounding rock of the exchange zone for the 82 PM underground nuclear tests detonated in vertical shafts. The model also accounts for the varied hydrogeochemical settings. Transport parameters needed for the screening model calculations are developed from databases for hydrogeologic units, chemistry, mineralogy, fracture spacing, fracture aperture, fracture openness, matrix porosity, bulk density, saturation, and alteration. Of key importance is consideration of diagenetic zonation of the mineralogy related to hydrothermal alteration. The screening analysis compares model results with available groundwater radiochemistry data. Consistency between screening model results and available data helps validate the model for application to all 43 radionuclides, most of which have no measurements or only non-detect measurements of concentration in groundwater. The screening analysis determines that ten radionuclides – tritium, Sr-90, I-129, Cs-137, U-232, U-233, U-234, U-238, and the total of Pu-239 and Pu-240 are relevant to the HST. Determination of relevance is primarily based on data and/or model results indicating source concentration exceeding a maximum contaminant level (MCL) out to 100 years since the time of detonation. U-238 is relevant to assessment of contamination relative to MCLs for uranium and gross alpha particle activity. Five other radionuclides – C-14, Cl-36, Tc-99, Np-237, and Pu-238 – are determined potentially relevant to the HST based on a 0.1 MCL threshold. The screening analysis recommends additional attention to the natural daughter radionuclides of the uranium series (U-238) and thorium series (Th-232) decay chains, particularly Ra-226 and Ra-228, that were not included the inventory.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2021

Effects of 18 O Exchange on Neutron Emission Rates of Aging 238 PuO 2 LWRHUs

The Lightweight Radioisotope Heater Unit (LWRHU) provides about 1 Watt of thermal power to critical electrical and mechanical systems in the extreme temperatures of space, maintaining the operating temperature of the spacecraft’s scientific and general operating equipment. Los Alamos National Laboratory (LANL) designed and tested the LWRHU in the 1970s through early 1980s. The first production campaign at LANL was in the early 1980s in support of the Galileo mission in which over 100 LWRHUs were manufactured. In the mid-1990s, almost 200 LWRHUs were manufactured in support of the Cassini mission. After the primary Cassini manufacturing campaign, the Department of Energy (DOE) approved the fabrication of more than 10 additional LWRHUs as spares in 1998. The LWRHU assembly contains the following components: a fuel pellet, a vented capsule, a pyrolytic graphite insulator, and a fine-weave pierced fabric (FWPF) graphite aeroshell. The fuel pellet is a hot-pressed 238 PuO 2 cylindrical pellet that is sintered to create a ceramic pellet. The pellet is encapsulated in a platinum-rhodium encapsulation. The welded fueled clad is placed inside a pyrolytic graphite thermal insulation to protect the fuel from the heat produced in reentry events. The exterior layer of the LWRHU assembly is the FWPF aeroshell. Before sintering, PuO 2 granules are heated in a furnace at temperatures greater than or equal to 700°C under an enriched 16 O atmosphere in order to reduce trace quantities of 18 O. Because 18 O undergoes an (α,n) reaction, 18 O needs to be removed as much as possible to meet radiation emission requirements set by the Jet Propulsion Laboratory (JPL) and the National Aeronautics and Space Administration (NASA), as well as other agencies. The relative abundances of the oxygen isotopes are indicated by neutron emission rate (NER) measurements. LWRHUs are vented with a sintered platinum frit vent (George 1986). During extraterrestrial operation, the vent in the cladding allows helium from the decay of plutonium to escape and relieves pressure from the system while preventing the solids from escaping (Rinehart 1996, Tate 1982 & 1985). This vent is protected during manufacture by a platinum-30 rhodium cover. The capsule vent is activated by milling a 0.025-inch diameter hole through the protective cover to a nominal depth of 0.015 inches, generally immediately before the LWRHU is loaded into the aeroshell (George 1986). Prior to long-term storage, LWRHUs are vented and thus potentially allow infiltration of 18 O from the ambient atmosphere. Although NER decreases with age due to the reduction in emitted alpha particles, it might be expected that NER reduction is mitigated by the exchange of 18 O. However, this is not necessarily the case and no trend was observed relating NER to age other than the natural decay of 238 Pu (Mulford 2021). The most probable and dominant factor for determining specific NER was manufacturing discrepancies between individual units. It is important to understand the lack of observed 16 O- 18 O exchange and to compare LWRHU pellets as much as possible.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

REDC Process Instrumentation Modernization Project

Critical electronics used for isotopes production have become outdated and difficult to manufacture. In particular the alpha-particle and neutron detection electronics (commonly referred to as Q2809A-9 and -11) which are used to monitor effluent activity in ORNL Building 7920 were designed and deployed in 1966-67. These electronics are still used but some parts are no longer available for purchase. In addition, the printed circuit boards used in the Count Rate Monitor (CRM) module have no fabrication files or quality assurance documentation. In light of this, a project to modernize the modules for ability to manufacture with modern parts was undertaken. Both the preamplifier and CRM were modernized with new printed circuit boards and parts which are current catalog parts. In addition, QA documentation was generated which allows the manufacturer to assure proper operation prior to delivery.

42 ENGINEERING↗

DOE OSTI2022

Gamma ray analysis of the K2 containers

The K2 containers contain PuO2 with 238 Pu being the most abundant isotope of all plutonium isotopes. The purpose of this analysis is to determine the light element impurities in the PuO2. These light elements can interact with the alpha particles from plutonium decay to release gamma rays, protons, and neutrons through the reactions (α,α’), (α,p), and (α,n) respectively. The gamma rays released by the interactions can be measured and compared with the gamma rays released by the plutonium. The ratios of the gamma rays from the interactions and the plutonium gamma rays allow for the determination of the impurities in the items. The elements that can be detected are Lithium (Z=3), Beryllium (Z=4), Boron (Z=5), Fluorine (Z=9), Sodium (Z=11), Magnesium (Z=12), Aluminum (Z=13), Silicon (Z=14), Phosphorous (Z=15), Chlorine (Z=17), and Potassium (Z=19).

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2024

WDM-SP-25A: Development of a stopping power platform using secondary nuclear reactions in Warm Dense Matter (Director’s Post-Doc Shot Request) [Slides]

Motivation: Recent theoretical modeling at LANL has demonstrated that the ignition criteria is a strong function of the temperature of the DT ice that surrounds the hot spot [Daughton et al. PoP 2023]. Alpha heating of the DT shell can raise the ignition threshold. Critical to modeling the alpha-particle deposition in the shell is understanding charged particle stopping in warm dense matter.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2025

Magnetic Avalanche Detector using Single-Molecule Magnets

Here we discuss the results of the 9 month add-on project: “Magnetic Avalanche Detector using Single-Molecule Magnets”. The key point of the projects was to design a cryogenic system that is capable of applying magnetic fields high enough to magnetize the Single-Molecule Magnets (SMMs), maintain temperatures below 1K, and be able to detect magnetic avalanches of the SMM domains. We were able to achieve these goals. Our system was able to magnetize and sense the magnetization of SMM crystals. Moreover, we were able to detect avalanche demagnetization events caused by an alpha particle interacting with a magnetized SMM.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Full Submersion Water Testing of SAVY-4000 Nuclear Material Storage Containers

SAVY-4000 (SAVY) containers are the primary container used at Technical Area (TA) TA-55 plutonium facility for the prevention of water ingress to mitigate against a criticality event. The basis for water resistance of these containers has long been attributed to the Polytetrafluoroethylene (PTFE) membrane that is assembled on the outermost surface of the filter assembly. On August 22nd a test of a container used inside of a glovebox was performed that brought into question this long-standing-basis. This test was performed by inverting a SAVY-lid onto a specialized piece of equipment for evaluating the integrity of the PTFE membrane. During the test water was observed passing through the filter indicating that the filter membrane was no longer preventing the ingress of water through the filter. The assumption after making this observation was that alpha-particles were rapidly degrading the membrane creating a leak path through the underlying aluminosilicate media (Fiberfrax®). The apparatus used was designed to only test the lid rather than the entire SAVY assembly. A test plan, PA-PLAN-01921, was developed to investigate whether a fully assembled container with a fully degraded PTFE membrane would be capable of meeting the criteria defined in PA-RD-1009 of not allowing more than 200 ml of water to enter the container with a water column of 6-inches applied over a 2-hour period. This report provides the results of the testing performed against PA-PLAN-01921.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Measuring Nuclear Clusters in the Short-Baseline Near Detector

The Short-Baseline Near Detector (SBND) is the first Liquid Argon Time Projection Chamber (LArTPC) with high enough resolution and large enough neutrino flux to measure the cross-section for production of heavier-than-proton fragments in neutrino interactions. SBND is an 112-ton LArTPC, and lies 110 m downstream from the Booster Neutrino Beam target, where it is collecting more than two million neutrino interactions per year. As a result of both the intranuclear cascade and nuclear de-excitation, neutrino interactions with argon can produce nuclear clusters such as deuterons, tritons, helions and alpha particles, which have so far only been seen as vertex activity or mis-reconstructed as protons. With LArTPC technology's excellent reconstruction capabilities and SBND's unprecedented neutrino statistics, a measurement of these nuclear clusters could distinguish between nuclear models and improve neutrino energy reconstruction. This poster presents the status of simulation and reconstruction of nuclear clusters in SBND.

Beever, Anna L. [Unlisted, US] (ORCID:000900069339↗

DOE OSTI2025

Ratio of 1,275 and 186 keV Gamma Ray Count Rates for Age Determination of Material in UF 6 Cylinders

In this work, a method for using ratios of passive gamma ray measurements to determine the time since the filling of UF 6 cylinders was explored. This method uses the 186 keV gamma ray emitted by 235 U and the 1,275 keV gamma ray that results from interactions of alpha particles in fluorine. Studies were made using MCNP models of both 30B cylinders and smaller 5A cylinders. Results indicate that for enrichments at or above that of natural uranium, this approach may provide a method for determining age up to 10 years or identifying whether the age is greater than 10 years, even if the uranium enrichment is unknown. The calculated results show the same behavior as the results of a recent measurement campaign, indicating the possibility of using this method for real-world cylinders.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Measurement of Local Electric Field Turbulence in Magnetically Confined Plasmas (Final Report)

This final report describes the development of high-bandwidth plasma fluctuation diagnostics, encompassing the design and implementation of Beam Emission Spectroscopy systems on several fusion experiments such as TFTR, DIII-D and NSTX, the advancement of Alpha particle and Ultrafast Charge-Exchange Recombination Spectroscopy, and the creation of advanced spectrometers for localized studies of electric and magnetic field fluctuations based on the Motional Stark Effect.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Finding Nuclear Clusters in the Short-Baseline Near Detector

Production of nuclear clusters such as deuterons, tritons, helions and alpha particles has only recently been simulated for neutrino-nucleus interactions, and has not yet been measured in neutrino experiments. The Short-Baseline Near Detector (SBND) is the first Liquid Argon Time Projection Chamber (LArTPC) with high enough resolution and a large enough neutrino flux to accurately measure the cross-section for the production of heavier-than-proton fragments in neutrino interactions. SBND is a 112-ton LArTPC, and lies 110 m downstream from the Booster Neutrino Beam target, where it has already collected the world's largest dataset of neutrino-argon interactions. In these processes, the intranuclear cascade and nuclear de-excitation stages can both produce nuclear clusters. With LArTPC technology's excellent reconstruction capabilities and SBND's unprecedented neutrino statistics, a measurement of these nuclear clusters could distinguish between nuclear models and improve neutrino energy reconstruction. This poster presents the status of simulation, reconstruction, and prospects for a measurement of nuclear clusters in SBND.

Beever, Anna [Sheffield U.] (ORCID:000900069339924↗