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All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Statistical Uncertainty of Inhalation Dose Coefficients: Impact of Particle Deposition in ICRP 66 Human Respiratory Tract Model

Inhaled radioactive materials can pose a long-term health concern, as the material can be incorporated into the body’s metabolic pathways and remain in organs and tissues for extended durations. During the retention period, the radioactive material may localize in a source organ and irradiate adjacent target organs and tissues. Distribution of these materials changes over time, requiring biokinetic modeling to evaluate their movement through various tissues and organs. The evolving distribution depends on multiple inputs characterizing the inhaled material, such as particle size and size distribution, particle density, aspect ratio, specific radionuclide, the chemical form, and solubility. In addition, biological parameters such as breathing rate, breathing type (nasal or nasal/oral), respiratory system morphometry, tidal volume, functional residual capacity, and anatomical dead space all influence material transport. These aerosol properties and physiological characteristics of the respiratory tract jointly define a range of initial conditions that influence the time-dependent distribution of radioactive material. To evaluate both uncertainty in the initial conditions of inhalation exposure and the final output (committed effective dose) from biokinetic models, a Python-based software tool, Radiological Exposure Dose Calculator (REDCAL), was developed to propagate uncertainty within the human respiratory tract model. Focusing on deposition fraction uncertainty, the primary objective was to characterize the initial activity distribution across respiratory regions as a function of anticipated particle sizes and distributions. The impact of the deposition fraction uncertainty was propagated to committed effective dose coefficients for selected radionuclides in a companion publication. For each particle size, a lognormal distribution, characterized by its geometric mean as defined within ICRP Publication 66, serves as the basis for introducing uncertainty into the physical processes governing deposition in various lung regions. Finally, this study addresses the deposition process and examines how uncertainty in deposition mechanisms affects activity distribution in the airways, ultimately presenting the expected range and standard deviation of deposited activity as a function of particle size.

International Commission on Radiological Protectio↗
DOE OSTI2024

A mean field homogenization model for the mechanical response of ceramic matrix composites

SiC/SiC composites offer exceptional mechanical stability at high temperatures and under irradiation. These ceramic matrix composites are therefore strong candidate materials for future nuclear energy applications. Their mechanical response, which exhibits pseudo-plasticity, is mediated by matrix cracking, fiber debonding, and fiber pull-out due to slip. Here, this study introduces a mechanistic model for the behavior of unidirectionally reinforced SiC/SiC composites. Specifically a mean field homogenization approach is proposed to account for all deformation and degradation modes during mechanical deformation. The homogenization scheme relies on a Mori Tanaka method that is extended to consider the effects of the coating’s elasto-plastic response on the development of micromechanical fields. Further, the model proposed introduces a method to effectively account for the role of localized damage (i.e., cracks) on mechanical fields within both the fiber and the matrix. Upon validating the model against experimental data, the roles of interface sliding, coating dimensions and intrinsic elastic response, as well as of microstructure (e.g. porosity, fiber volume fraction) are discussed.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Reconfigurable Framework for Resilient Semantic Segmentation for Space Applications

Deep learning (DL) presents new opportunities for enabling spacecraft autonomy, onboard analysis, and intelligent applications for space missions. However, DL applications are computationally intensive and often infeasible to deploy on radiation-hardened (rad-hard) processors, which traditionally harness a fraction of the computational capability of their commercial-off-the-shelf counterparts. Commercial FPGAs and system-on-chips present numerous architectural advantages and provide the computation capabilities to enable onboard DL applications; however, these devices are highly susceptible to radiation-induced single-event effects (SEEs) that can degrade the dependability of DL applications. In this article, we propose Reconfigurable ConvNet (RECON), a reconfigurable acceleration framework for dependable, high-performance semantic segmentation for space applications. In RECON, we propose both selective and adaptive approaches to enable efficient SEE mitigation. In our selective approach, control-flow parts are selectively protected by triple-modular redundancy to minimize SEE-induced hangs, and in our adaptive approach, partial reconfiguration is used to adapt the mitigation of dataflow parts in response to a dynamic radiation environment. Combined, both approaches enable RECON to maximize system performability subject to mission availability constraints. We perform fault injection and neutron irradiation to observe the susceptibility of RECON and use dependability modeling to evaluate RECON in various orbital case studies to demonstrate a 1.5–3.0× performability improvement in both performance and energy efficiency compared to static approaches.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2015

Compositional and Microstructural Evolution of Olivine During Pulsed Laser Irradiation: Insights Based on a FIB/Field-Emission TEM Study

Introduction: The use of pulsed laser irradiation to simulate the short duration, high-energy conditions characteristic of micrometeorite impacts is now an established approach in experimental space weathering studies. The laser generates both melt and vapor deposits that contain nanophase metallic Fe (npFe(sup 0)) grains with size distributions and optical properties similar to those in natural impact-generated melt and vapor deposits. There remains uncertainty, however, about how well lasers simulate the mechanical work and internal (thermal) energy partitioning that occurs in actual impacts. We are currently engaged in making a direct comparison between the products of laser irradiation and experimental/natural hypervelocity impacts. An initial step reported here is to use analytical TEM is to attain a better understanding of how the microstructure and composition of laser deposits evolve over multiple cycles of pulsed laser irradiation. Experimental Methods: We irradiated pressed-powder pellets of San Carlos olivine (Fo(sub 90)) with up to 99 rastered pulses of a GAM ArF excimer laser. The irradiated surface of the sample were characterized by SEM imaging and areas were selected for FIB cross sectioning for TEM study using an FEI Quanta dual-beam electron/focused ion beam instrument. FIB sections were characterized using a JEOL2500SE analytical field-emission scanning transmission electron microscope (FE-STEM) optimized for quantitative element mapping at less than 10 nm spatial resolutions. Results: In the SEM the 99 pulse pressed pellet sample shows a complex, inhomogeneous, distribution of laser-generated material, largely concentrated in narrow gaps and larger depressions between grains. Local concentrations of npFe0 spherules 0.1 to 1 micrometers in size are visible within these deposits in SEM back-scatter images. Fig. 1 shows bright-field STEM images of a FIB cross-section of a one of these deposits that continuously covers the top and sloping side of an olivine grain. The deposit has 3 microstructurally distinct sub-layers composed of silicate glass with varying modal fractions and size distributions of npFe( sup 0) spherules, along with nanocrystalline silicate material. A relatively thin (50-300 nm) topmost surface layer has a high-concentration of npFe0 spherules 5-20 nm in size. Element mapping shows the layer to be enriched in Fe by a factor of 2.5 relative to the olivine substrate, with Mg and Si depleted by 20% and 10% respectively. This is compositionally complementary to the underlying, middle layer of the deposit that is depleted in Fe, enriched in Mg and has a much lower npFe0 concentration. A third layer of nanocrystalline olivine occurs at the substrate interface. Discussion: The FE-STEM results suggest the topmost layer is a vapor deposit, underlain by a thicker microstructurally complex melt-generated layer. The compositional relations suggest the melt layer was partially vaporized, preferentially losing more volatile elements (e.g., Fe). The vaporized material re-condensed to form the thin, npFe(sup 0)-rich surface deposit during or immediately after the scan cycle. Nanocrystalline olivine that grew within the melt layer as it formed and cooled is similar in volume and microstructure to what we have observed in the impact melt lining of a micrometeorite impact crater in olivine. This suggest the time-temperature relations attained in the laser sample may not be too different from a micrometeorite impact. Our TEM observations, however, do not show evidence for the same level of mechanical dam-age (e.g., fracturing) seen around the natural micrometeorite crater.

Christoffersen, R.↗
DOE OSTI2021

Neutron radiation hardness of aluminum gallium nitride UV LEDs at various wavelengths

Radiation hard diagnostics are critical to the success of nuclear fusion at National Ignition Facility, Z, ITER, and prolonged space explorations. We have first demonstrated the exceptional proton radiation hardness of initial GaN devices and qualified their space flight and deployment for missions such as the Laser Interferometer Space Antenna and International Space Station. We have further conducted neutron radiation hardness experiments at Los Alamos Neutron Science Center by opening a new high fluence beam station. During 2014–2016, we irradiated multiple Aluminum Gallium Nitride (AlGaN) LEDs with a maximum fluence of 2.4 × 1013 neutrons/cm2 in 3 years and generated 54 161 current–voltage (I–V) scan traces. Our data processing program analyzes each and all I–V traces. In addition, we retrieved local temperature records to analyze and remove temperature effects in the outdoor environment. The I–V curve families of AlGaN UV LEDs with emitting wavelengths of 265, 275, and 310 nm were compared. The I–V curves of 265 nm AlGaN UV LEDs have the smallest deviations from the average value, while the I–V curves for 310 nm AlGaN LEDs showed the largest deviations from the average value. We have reached another important recommendation for the optimal use of multiple AlGaN optoelectronic devices or imaging arrays for inertially confined fusion diagnostics: Shorter wavelength devices at 265 nm exhibit more consistent radiation hardness performance than the 310 nm devices. Higher aluminum content LEDs or AlxGa1–xN devices with higher mole fraction x for generating shorter wavelengths have better radiation hardness for fusion diagnostics.

Sun, K. -X. (ORCID:0000000224659235)↗
DOE OSTI2021

Determination of Thermal Expansion, Defect Formation Energy, and Defect-Induced Strain of α-U Via ab Initio Molecular Dynamics

Uranium (U) is often alloyed with molybdenum (Mo) or zirconium (Zr) in order to stabilize its high-temperature body-centered cubic phase for use in nuclear reactors. However, in all metallic fuel forms, the α phase of U remains in some fraction. This phase decomposition due to temperature or compositional variance can play an outsized role on fuel performance and microstructural evolution. Relatively little is known about fundamental point defect properties in α -U at non-zero temperatures, from either computational or experimental studies. This work performs the first thorough evaluation of the α phase of U via ab initio molecular dynamics (AIMD). A number of thermophysical properties are calculated as a function of temperature, including equilibrium lattice parameters, thermal expansion, and heat capacity. These results indicate a two-region behavior, with the transition at 400 K. The thermal expansion/contraction in the a / b direction occurs rapidly from 100 up to 400 K, after which a more linear and gradual change in the lattice constant takes place. The volumetric expansion matches experiments quantitatively, but the individual lattice constant expansion only matches experiments qualitatively. Point defect formation energies and induced lattice strains are also determined as a function of temperature, providing insight on defect populations and the fundamentals of irradiation growth in α -U. Interstitials induce significantly more strain than vacancies, and the nature of that strain is highly dependent on the individual lattice directions. The direction of point defect-induced lattice strain is contrary to the irradiation growth behavior of α -U. This work shows that isolated point defects cannot be the primary driving force responsible for the significant irradiation-induced growth of α -U observed experimentally.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1997

Chromosomal mutations and chromosome loss measured in a new human-hamster hybrid cell line, ALC: studies with colcemid, ultraviolet irradiation, and 137Cs gamma-rays

Small mutations, megabase deletions, and aneuploidy are involved in carcinogenesis and genetic defects, so it is important to be able to quantify these mutations and understand mechanisms of their creation. We have previously quantified a spectrum of mutations, including megabase deletions, in human chromosome 11, the sole human chromosome in a hamster-human hybrid cell line AL. S1- mutants have lost expression of a human cell surface antigen, S1, which is encoded by the M1C1 gene at 11p13 so that mutants can be detected via a complement-mediated cytotoxicity assay in which S1+ cells are killed and S1- cells survive. But loss of genes located on the tip of the short arm of 11 (11p15.5) is lethal to the AL hybrid, so that mutants that have lost the entire chromosome 11 die and escape detection. To circumvent this, we fused AL with Chinese hamster ovary (CHO) cells to produce a new hybrid, ALC, in which the requirement for maintaining 11p15.5 is relieved, allowing us to detect mutations events involving loss of 11p15.5. We evaluated the usefulness of this hybrid by conducting mutagenesis studies with colcemid, 137Cs gamma-radiation and UV 254 nm light. Colcemid induced 1000 more S1- mutants per unit dose in ALC than in AL; the increase for UV 254 nm light was only two-fold; and the increase for 137Cs gamma-rays was 12-fold. The increase in S1- mutant fraction in ALC cells treated with colcemid and 137Cs gamma-rays were largely due to chromosome loss and 11p deletions often containing a breakpoint within the centromeric region.

NASA Discipline Radiation Health↗
DOE OSTI2020

Power Density Waterfalls Plots for AGR-1, AGR-2 US UCO, and AGR-5/6/7 Experiments

Task: Generate plots of the distribution of power per particle per power bin over time. Kairos needs these for licensing purposes. Basically, they need to know which power/particle was sustained by which fraction of the fuel and for how long. The idea is to leverage AGR results. However, Kairos wants to operate at relatively high power/particle and, therefore, they need to check how much of their range is covered by AGR. These plots are made for AGR-1, AGR-2 US UCO, and what is predicted for AGR-5/6 and AGR-7 (for which there are no daily as-run values but projected values for every cycle). The predicted AGR-5/6/7 data was provided by the attached Excel file in an Email by Blaise Collin to Cam Binh Pham on May 21, 2018.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Effect of Helium Flux on Near-surface Helium Accumulation in Plasma-Exposed Tungsten

We report results of object kinetic Monte Carlo (OKMC) simulations aimed at understanding the effect of helium flux on the near-surface helium accumulation in plasma-facing tungsten, which is initially defect-free and has a W(100) surface orientation. These OKMC simulations are performed at 933 K for fluxes ranging from 10 22 to 4 × 10 25 He/m 2 s, with 100 eV helium atoms impinging on a W(100) surface up to a maximum fluence of 4×10 19 He/m 2 . In the near-surface region, helium clusters interact elastically with the free surface. The interaction is attractive and results in the drift of mobile helium clusters towards the surface as well as increased trap mutation rates. The associated kinetics and energetics of the above-mentioned processes obtained from molecular dynamics simulations are also considered. The OKMC simulations indicate that as the flux decreases, the retention of implanted helium decreases, and its depth distribution shifts to deeper below the surface in initially pristine tungsten. Furthermore, the fraction of retained helium diffusing into the bulk increases as well, so much so that for 10 22 He/m 2 s, almost all of the retained helium diffused into the bulk with minimal/negligible near-surface helium accumulation. At a given flux, with increasing fluence, the fraction of retained helium initially decreases and then starts to increase after reaching a minimum. The occurrence of the retention minimum shifts to higher fluences as the flux decreases. Although the near-surface helium accumulation spreads deeper into the material with decreasing flux and increasing fluence, the spread appears to saturate at depths between 80 and 100 nm. Finally, we present a detailed analysis of the influence of helium flux on the size and depth distribution of total helium and helium bubbles.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2014

Mercury's Weather-Beaten Surface: Understanding Mercury in the Context of Lunar and Asteroidal Space Weathering Studies

Mercury's regolith, derived from the crustal bedrock, has been altered by a set of space weathering processes. Before we can interpret crustal composition, it is necessary to understand the nature of these surface alterations. The processes that space weather the surface are the same as those that form Mercury's exosphere (micrometeoroid flux and solar wind interactions) and are moderated by the local space environment and the presence of a global magnetic field. To comprehend how space weathering acts on Mercury's regolith, an understanding is needed of how contributing processes act as an interactive system. As no direct information (e.g., from returned samples) is available about how the system of space weathering affects Mercury's regolith, we use as a basis for comparison the current understanding of these same processes on lunar and asteroidal regoliths as well as laboratory simulations. These comparisons suggest that Mercury's regolith is overturned more frequently (though the characteristic surface time for a grain is unknown even relative to the lunar case), more than an order of magnitude more melt and vapor per unit time and unit area is produced by impact processes than on the Moon (creating a higher glass content via grain coatings and agglutinates), the degree of surface irradiation is comparable to or greater than that on the Moon, and photon irradiation is up to an order of magnitude greater (creating amorphous grain rims, chemically reducing the upper layers of grains to produce nanometer scale particles of metallic iron, and depleting surface grains in volatile elements and alkali metals). The processes that chemically reduce the surface and produce nanometer-scale particles on Mercury are suggested to be more effective than similar processes on the Moon. Estimated abundances of nanometer-scale particles can account for Mercury's dark surface relative to that of the Moon without requiring macroscopic grains of opaque minerals. The presence of nanometer-scale particles may also account for Mercury's relatively featureless visible-near-infrared reflectance spectra. Characteristics of material returned from asteroid 25143 Itokawa demonstrate that this nanometer-scale material need not be pure iron, raising the possibility that the nanometer-scale material on Mercury may have a composition different from iron metal [such as (Fe,Mg)S]. The expected depletion of volatiles and particularly alkali metals from solar-wind interaction processes are inconsistent with the detection of sodium, potassium, and sulfur within the regolith. One plausible explanation invokes a larger fine fraction (grain size less than 45 micron) and more radiation-damaged grains than in the lunar surface material to create a regolith that is a more efficient reservoir for these volatiles. By this view the volatile elements detected are present not only within the grain structures, but also as adsorbates within the regolith and deposits on the surfaces of the regolith grains. The comparisons with findings from the Moon and asteroids provide a basis for predicting how compositional modifications induced by space weathering have affected Mercury's surface composition.

Weathering↗
DOE OSTI2023

Correction to “Ruthenium Dye Excitations and Relaxations in Natural Sunlight”

An error in computing the optical rate coefficients for dye RuP was discovered in Table S4 of the Supporting Information Section S8 Model S? for this article, published in J. Phys. Chem. A, 2021, 125, 4365-4372, 10.1021/acs.jpca.1c02386. The optical rate coefficients include absorption, stimulated emission, and ground-state bleach associated with the ground state and the singlet and triplet excited states as well as for the excited-state absorption between the excited states and implicit higher-energy excited states. The optical rate coefficients for continuous solar irradiance were computed using eq 3 of the main text in which the product of the individual signal components and the solar spectrum are integrated and multiplied by the fundamental optical rate coefficient. We determined the incorrect signal components were used for RuP in the published Supporting Information Table S4. The corrected Table S4 column for RuP is presented with the reported values from the original paper in the corrected Supporting Information. New simulations have been performed using the corrected values, and the results were used to update Figures 5 and 6 and also Figure S9 in the corrected Supporting Information. The published conclusions are unchanged. The populations of RuP excited states, Figure 5, are only marginally smaller, which should be expected with minor changes to the optical rate coefficients. There is not a significant change in the results for the number of radiative and nonradiative interactions per dye per second (the optical transitions and nonradiative transitions increased, respectively, by approximately 2% and 10%, Figure 6A). The occurrence of excited-state absorption (ESA) and excited-state emission (ESE) events, Figure 6C, both decreased from the original simulation results by 20% and 33%. The most notable difference is exhibited in Figure 6B; the fraction of population moving from the lowest-energy singlet state (i.e., intersystem crossing or ultrafast nonradiative relaxation) and nonradiative relaxation from the triplet state have decreased from ~0.45 to ~0.4 and increased from ~0.35 to ~0.4, respectively..

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Experimental Investigation of Space Radiation Processing in Lunar Soil Ilmenite: Combining Perspectives from Surface Science and Transmission Electron Microscopy

Energetic ions mostly from the solar wind play a major role in lunar space weathering because they contribute structural and chemical changes to the space-exposed surfaces of lunar regolith grains. In mature mare soils, ilmenite (FeTiO3) grains in the finest size fraction have been shown in transmission electron microscope (TEM) studies to exhibit key differences in their response to space radiation processing relative to silicates [1,2,3]. In ilmenite, solar ion radiation alters host grain outer margins to produce 10-100 nm thick layers that are microstructurally complex, but dominantly crystalline compared to the amorphous radiation-processed rims on silicates [1,2,3]. Spatially well-resolved analytical TEM measurements also show nm-scale compositional and chemical state changes in these layers [1,3]. These include shifts in Fe/Ti ratio from strong surface Fe-enrichment (Fe/Ti >> 1), to Fe depletion (Fe/Ti < 1) at 40-50 nm below the grain surface [1,3]. These compositional changes are not observed in the radiation-processed rims on silicates [4]. Several mechanism(s) to explain the overall relations in the ilmenite grain rims by radiation processing and/or additional space weathering processes were proposed by [1], and remain under current consideration [3]. A key issue has concerned the ability of ion radiation processing alone to produce some of the deeper- penetrating compositional changes. In order to provide some experimental constraints on these questions, we have performed a combined X-ray photoelectron spectroscopy (XPS) and field-emission scanning transmission electron (FE-STEM) study of experimentally ion-irradiated ilmenite. A key feature of this work is the combination of analytical techniques sensitive to changes in the irradiated samples at depth scales going from the immediate surface (approx.5 nm; XPS), to deeper in the grain interior (5-100 nm; FE-STEM).

Christoffersen, R.↗
NASA NTRS1998

Evolution of Interstellar Grains

During the past two decades observations combined with laboratory simulations, have revolutionized our understanding of interstellar ice and dust, the raw materials from which planets, comets and stars form. Most interstellar material is concentrated in large molecular clouds where simple molecules are formed by dust-grain and gas-phase reactions. Gaseous species striking the cold (10K) dust stick, forming an icy grain mantle. This accretion, coupled with UV photolysis, produces a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. Ices in molecular clouds contain the very simple molecules H2O, CH3OH, CO, CO2, H2, and perhaps some NH3 and H2CO, as well as more complex species. The evidence for these compounds, as well as carbon-rich materials, will be reviewed and the possible connections with comets and meteorites will be presented in the first part of the talk . The second part of the presentation will focus on interstellar/precometary ice photochemical evolution and the species likely to be found in comets. The chemical composition and photochemical evolution of realistic interstellar/pre-cometary ice analogs will be discussed. Ultraviolet photolysis of these ices produces H2, H2CO, CO2, CO, CH4, HCO, and more complex molecules. When ices representative of interstellar grains and comets are exposed to UV radiation at low temperature a series of moderately complex organic molecules are formed in the ice including: CH3CH2OH (ethanol), HC(=O)NH2 (formamide), CH3C(=O)NH2 (acetamide), and R-C=N (nitriles). Several of these are already known to be in the interstellar medium, and their presence indicates the importance of grain processing. After warming to room temperature an organic residue remains. This is composed primarily of hexamethylenetetramine (HMT, C6H12N4), with lesser amounts of polyoxymethylene-related species (POMs), amides, and ketones. This is in sharp contrast to the organic residues produced by irradiating unrealistic interstellar ice analogs or thermally promoted polymerization-type reactions in unirradiated realistic ice mixtures.

Allamandola, Lou J.↗
NASA NTRS2012

High Precision, Absolute Total Column Ozone Measurements from the Pandora Spectrometer System: Comparisons with Data from a Brewer Double Monochromator and Aura OMI

We present new, high precision, high temporal resolution measurements of total column ozone (TCO) amounts derived from ground-based direct-sun irradiance measurements using our recently deployed Pandora single-grating spectrometers. Pandora's small size and portability allow deployment at multiple sites within an urban air-shed and development of a ground-based monitoring network for studying small-scale atmospheric dynamics, spatial heterogeneities in trace gas distribution, local pollution conditions, photochemical processes and interdependencies of ozone and its major precursors. Results are shown for four mid- to high-latitude sites where different Pandora instruments were used. Comparisons with a well calibrated double-grating Brewer spectrometer over a period of more than a year in Greenbelt MD showed excellent agreement and a small bias of approximately 2 DU (or, 0.6%). This was constant with slant column ozone amount over the full range of observed solar zenith angles (15-80), indicating adequate Pandora stray light correction. A small (1-2%) seasonal difference was found, consistent with sensitivity studies showing that the Pandora spectral fitting TCO retrieval has a temperature dependence of 1% per 3K, with an underestimation in temperature (e.g., during summer) resulting in an underestimation of TCO. Pandora agreed well with Aura-OMI (Ozone Measuring Instrument) satellite data, with average residuals of <1% at the different sites when the OMI view was within 50 km from the Pandora location and OMI-measured cloud fraction was <0.2. The frequent and continuous measurements by Pandora revealed significant short-term (hourly) temporal changes in TCO, not possible to capture by sun-synchronous satellites, such as OMI, alone.

Ozone↗
NASA NTRSDate not supplied

SURFACE EXOSURE TIMESCALES OF APOLLO CORE SAMPLE 73002 SPACE WEATHERED GRAINS

Introduction: Space weathering causes the surface regolith on airless bodies like the Moon to be morphologically, microstructurally, and chemically altered due to micrometeoroid bombardment and solar wind irradiation[1]. These processes produce a multitude of microstructural and chemical changes in individual soil grains that accumulate as grains are exposed on the surface over time. One microstructural feature produced by exposure to the solar wind is the development of ion-damaged rims on regolith grains via H+ and He+ ion irradiation. Also present are solar energetic particle (SEP) tracks, which are nanoscale lineations of ionization damage within grain interiors formed by high energy solar flare ions(primarily Fe group nuclei) which penetrate millimeters below the surface [2]. Recent work has confirmed that the thickness of solar wind-damaged amorphous rims on anorthite grains, nanocrystalline rims on olivine grains, and their respective SEP track densities are correlated with their surface exposure ages [3].Core sample 73002, recently released under the Apollo Next Generation Sample Analysis (ANGSA) Program, has provided an opportunity to study material collected from the light mantle formation during Apollo 17. The light mantle is thought to have been deposited via a landslide originating from the neighboring South Massif [4]. Spectral profiles and ferromagnetic resonance measurements of bulk soils sampled at cm-intervals from 73002 indicate the existence of mature regolith extending ~8 cm below the surface, suggesting the presence of an in-situ reworking zone in the core[5,6].Here we present the distribution of SEP track densities, solar wind damaged rim widths, and the corresponding surface exposure ages of grains residing in the proposed in-situ reworking zone of core 73002. Methods: Bulk samples of regolith from the first eight intervals and every following fourth interval down the core (dissection Pass 2) were delivered to Purdue University as <45 μm size fractions. The first eight0.5 cm intervals, representing the top 4cmof regolith, were individually dry sieved to a<20 μm size fraction, and grains were prepared by ultramicrotomy for analysis in the scanning transmission electron microscope (STEM). Bright field (BF) and dark field (DF) STEM images of solar flare tracks and solar wind damaged rims were acquired on a JEOL 2500SE TEM, equipped with a 60 mm2ultra-thin window silicon drift energy dispersive X-ray (EDX) spectrometer at NASA John-son Space Center. Grain compositions were determined by EDX compositional spectrum imaging. SEP track densities and amorphous rim thicknesses were measured on BF and DF images. Results: The fraction of grains with discernable space weathering features decreased with depth, with 100% in the first interval exhibiting space weathering features as opposed to ~60% in Interval 8.BF and DF STEM images show splash-melt and vapor deposited rims on outermost grain margins with embedded Fe-bearing nanoparticles ranging in size up to ~10 nm in diameter. Images also show solar-wind damaged rims below the vapor deposits, and SEP tracks present in grain interiors. The rim thicknesses and SEP track densities were determined using the methods of [3] for 54grains spanning the top 4 cm. ~80% of the grains analyzed were anorthite and ~20% were olivine. The track production rate from[3] was used to estimate the surface exposure times of the grains in this study. The majority of exposure times are in the 1 -5 MY range for all intervals. The lowest value was 3.8x 10¬5years in Interval 8and the highest value was1.1x 107years in Interval 6. Grains with the highest solar wind damage rim thicknesses and SEP track densities are found in Interval 6.The highest rim thickness and track density observed for anorthiteis126.5 nm and4.7 x 1011tracks/cm2, while for olivine they are 98.6 nm and 1.83 x 1011tracks/cm2, respectively. Discussion: Intervals from the top 4 cm of 73002 show similar SEP track density and solar wind damaged rim thickness distributions. Spectral and ferromagnetic resonance measurements of 73002 indicate an in-situ reworking zone up to~8 cm below the surface[5,6].The depth analyzed in this work is within the core’s uppermost in-situ reworking zone and may serve as an explanation to the homogenous distribution of exposure ages. The decreasing abundance of space weathered features with depth is consistent with regolith mixing models showing an exponential decay in regolith maturity with depth over time[7].A maximum surface exposure age determined via SEP track density is approximately 10million years. This timescale is consistent with the lower estimate of surface exposure ages of the light mantle determined in previous studies, which can range from 10s to over 100 Ma [4].It also falls within the core regolith reworking development timescale of ~17 Ma [5,6]. Additional analysis will be performed for a further seven intervals in 73002.

J A McFadden↗
DOE OSTI2024

Microstructural evolution in a precipitate-hardened (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 multi-principal element alloy during high-pressure torsion

Multi-principal element alloys demonstrate high strength, thermal stability, and irradiation resistance, making them excellent candidate materials for applications in nuclear reactors and other harsh environments. Some studies have examined the use of high-pressure torsion to strengthen MPEAs through grain size reduction and strain hardening. However, no studies have investigated the effect of HPT on secondary phases (precipitates) within an MPEA. Two alloys, (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 containing Ni(Ti, Al) B2 phase, and CrFe σ phase, and single-phase Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 , were fabricated by casting and heat treatment. Both alloys were then processed with HPT to study microstructural evolution. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were used to characterize the alloys before and after HPT processing. HPT processing produced a nanocrystalline structure in both alloys, but (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 exhibited a significantly smaller grain size and higher dislocation density than Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 , with corresponding higher hardness. Before HPT, the (Fe 0.3 Ni 0.3 Mn 0.3 Cr 0.1 ) 94 Ti 2 Al 4 alloy consisted of large grain (~ 400 μm) and precipitates, including B2 of ~ 38 μm average size, B2 of ~ 0.7 μm average size, and small amounts of σ of ~ 1.5 μm average size. After HPT, the larger B2 precipitates were decreased in size and volume fraction, while the smaller B2 precipitates were completely dissolved; the σ precipitates appeared unaffected by HPT, likely due to their much higher hardness. Finally, observation of the B2 precipitate distribution along radial distance indicates that the strain caused the precipitates to fracture at intermediate strain (γ = 125) and dissolve at high strain (γ = 280).

36 MATERIALS SCIENCE↗
DOE OSTI2022

BISON fuel performance modeling optimization for experiment X447 and X447A using axial swelling and cladding strain measurements

With the recent need to qualify new reactor designs such as the Versatile Test Reactor (VTR), fuel performance calculations need to be performed to determine safety criteria of the proposed designs. In order to validate the fuel performance results obtained by a fuel performance code, BISON, for new reactor designs, legacy fuel from EBR-II and FFTF MFF with Post -Irradiation Examination (PIE) data need to be used as validation cases to benchmark models. Here in this work, BISON has been paired with the Fuels Irradiation & Physics Database (FIPD) and IFR Materials Information System (IMIS) to supply PIE data for comparison with simulations of EBR-II experiments X447/X447A. X447/X447A were assessed by implementing models for Fuel Cladding Chemical Interaction (FCCI) within BISON and optimizing the friction coefficient between the fuel surface and the cladding, the anisotropic swelling factor, and the HT9 first thermal creep scalar (which scales the first term in the HT9 creep equation) to best match the PIE axial fuel swelling height and cladding profilometry for all pins in X447/X447A. The optimal values were found using a generic algorithm developed to select different values for the three parameters until end criteria was met and error couldn’t be reduced further. The BISON-simulated cladding profilometry was evaluated using Standard Error of the Estimate (SEE) to account for the profile shape of the cladding profilometry. Optimal values for the friction coefficient, anisotropic fuel swelling factor, and HT9 first thermal creep scalar were found to best fit the BISON simulation results to the PIE measurements found in IMIS and FIPD. Improvements to current models are suggested to account for the underprediction of fuel swelling at low burnups and the overprediction of fuel swelling at higher burnups observed for the axial fuel swelling height. Although two pins in EBR-II X447/X447A (DP70 and DP75) were known to fail due to FCCI, none of the pins simulated in BISON reached a cumulative damage fraction (CDF) above 0.008 with FCCI correlations coupled in the BISON simulations. The error estimate generated for all pins in X447/X447A using optimal values was 209 µm, which is deemed acceptable.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS1996

Interstellar/Precometary Organic Material and the Photochemical Evolution of Complex Organics

During the past two decades ground-, air-, and space-based infrared spectroscopic observations, combined with realistic laboratory simulations, have revolutionized our understanding of interstellar ice and dust, the raw materials from which planets, comets and stars form. Most interstellar material is concentrated in Large molecular clouds where simple molecules are formed by dust grain and gas phase reactions. Gaseous species striking the cold (10 K) dust will stick, forming an icy grain mantle. This accretion, coupled with energetic particle bombardment and UV photolysis, will produce a complex chemical mixture containing volatile, non-volatile, and isotopically fractionated species. Ices in molecular clouds contain the very simple molecules H2O, CH3OH, CO, CO2, H2, and perhaps some NH3 and H2CO, as well as more complex species including nitriles and ketones or esters. The evidence for these compounds as well as carbon rich materials such as polycyclic aromatic hydrocarbons (PAHs), microdiamonds, and amorphous carbon will be reviewed and the possible connections with comets and meteorites will be presented in the first part of the talk. The second part of the presentation will focus on interstellar/precometary ice photochemical evolution. The chemical composition and photochemical evolution of realistic interstellar/pre-cometary ice analogs containing methanol will be discussed. ultraviolet photolysis of these ices produces H2, H2CO, CO2, CO, CH4, HCO, and more complex molecules. Infrared spectroscopy, H-1 and C-13 nuclear magnetic resonance (NMR) spectroscopy, and gas chromatography-mass spectrometry demonstrate that when ices representative of interstellar grains and comets are exposed to UV radiation at low temperature a series of moderately complex organic molecules are formed in the ice including: CH3CH2OH (ethanol), HC(=O)NH2 (formamide), CH3C(=O)NH2 (acetamide), and R-C(integral)N (nitriles). Several of these are already known to be in the interstellar medium, and their presence indicates the importance of grain processing. After warming to room temperature what remains is an organic residue composed primarily of Hexamethylenetetramine (HMT, C6H12N4), with lesser amounts of polyoxymethylene related species (POMs), amides, and ketones. This is in sharp contrast to the organic residues produced by irradiating ices which do not contain methanol (unrealistic interstellar ice analogs) or thermally promoted polymerization-type reactions in unirradiated realistic ice mixtures. Here HMT is only a minor product in a residue dominated by a mixture of polyoxymethylene related species. The implications, for infrared astronomy and astrochemistry, of high concentrations of HMT in interstellar and cometary ices may be profound. The ultraviolet photolysis of HMT frozen in H20 ice produces the "XCN" band observed in the spectra of protostellar objects and laboratory ices, as well as carbon oxides and other nitriles. Thus, HMT may be a precursor of XCN in protostellar objects and a source of CN and CO in the tail of comets. Also, HMT is known to hydrolyze under acidic conditions to yield ammonia and formaldehyde as well as amino acids. Thus, HMT may have been a source of organic material delivered to the early earth by comets.

Allamandola, Lou J.↗