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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Issue Summary of INL Phase IV Transient Results for IAEA CRP on HTGR UAM Benchmark

This report details the Parallel and Highly Innovative Simulation for Idaho National Laboratory (INL) Code System (PHISICS)/Reactor Excursions and Leak Analysis Program (RELAP5)-3D results obtained for the transient core exercises defined for Phase IV of the International Atomic Energy Agency (IAEA) Coordinated Research Project (CRP) on high-temperature gas cooled reactor (HTGR) uncertainty analysis in modeling (UAM). The Phase III models and results are linked to the earlier Standardized Computer Analyses for Licensing Evaluation (SCALE)/Sampler/New ESC-based Weighting Transport (NEWT) data generated for the lattice physics (lattice) stage Phase I of the CRP. The focus of this report is the Uncertainty/Sensitivity Assessment (U/SA) of the prismatic modular high-temperature gas cooled reactor (MHTGR)-350 design, and specifically for Exercises IV-1 and IV-2 of the benchmark: the Control Rod Withdrawal (CRW) and Pressurised Loss of Cooling (PLOFC) events. The statistical U/SA methodology is implemented and demonstrated using the RAVEN code, based on perturbed cross-section libraries obtained from the SCALE/Sampler sequence. Uncertainties in nuclear data (cross-sections and the average number of neutrons produced per fission, 235U[¯v ]) lead to standard deviations (uncertainties of one s) of approximately 0.5% in the core eigenvalues of the MHTGR-350 and core models. For the coupled neutronics/thermal fluid model, local power density uncertainties up to 3.6% were observed in the colder regions of the core, while the local maximum fuel temperature uncertainties reached 1.5% for the models that included thermal fluid uncertainties. The addition of thermal fluid uncertainties dominated the impacts of nuclear data uncertainties in all cases. The main contributors to uncertainties in the power density and fuel temperatures during the transients were uncertainties in the reactor operating conditions (total power, inlet mass flow rate and inlet gas temperature). Variations in the bypass flows did not have significant impact on any of the output variables. For the nuclear data uncertainties it was found that the 235U(¯v ) / 235U(¯v ) covariance produced the largest sensitivities in terms of its impact on the eigenvalue and peak reactor power. It was also observed that the impact of any nuclear data uncertainties on the maximum fuel temperature was much less significant that the impact on eigenvalue and power. Another important finding was that although the use of eight or more energy groups is recommended for best-estimate HTGR simulation, two-group models produced acceptable uncertainty and sensitivity results for most FOMs. Since the statistical U/SA methodology is computationally expensive, and most transient solver requirements will scale directly with the number of energy groups, two energy groups could be used by HTGR developers during the early stages of design when larger uncertainty margins can be tolerated.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
NASA NTRS2017

Recent Developments in X-Ray Diagnostics for Cryogenic and Optically Dense Coaxial Rocket Sprays

The mixing and atomization of propellants is often characterized by optically dense flow fields and complex breakup dynamics. In the development of propulsion systems, the complexity of relevant physics and the range of spatio-temporal scales often makes computational simulation impractical for full scale injector elements; consequently, continued research into improved systems for experimental flow diagnostics is ongoing. One area of non-invasive flow diagnostics which has seen widespread growth is using synchrotron based x-ray diagostics. Over the past 3 years, a series of water and cryogenic based experiments were performed at the Advanced Photon Source, Argonne National Lab, on a NASA in-house designed swirl co-axial rocket injector, designed for operation using liquid oxygen and liquid methane in support of Project Morpheus. A range of techniques, such as x-ray fluorescence and time-averaged radiography were performed providing qualitative and quantitative mass and phase distributions, and were complemented by investigations using time-resolved radiography and white beam imaging, which provided information on breakup and mixing dynamics. Results of these investigations are presented, and conclusions regarding the viability of x-ray based diagnostics are discussed.

Radke, Christopher D.↗
DOE OSTI2022

X-ray Computed Tomography of Irradiated and Unirradiated AGR-3/4 Compacts

X-ray Computed Tomography (XCT) has been utilized to image and characterize compacts from the combined third and fourth irradiation of the Advanced Gas Reactor (AGR) Program, AGR-3/4, fuel. The experiment contained tristructural isotropic (TRISO)-coated fuel particles as well as designed-to-fail (DTF) fuel particles. Two irradiated compacts, representing the lower and higher range of AGR-3/4 burnup (4.85% and 14.92% fissions per initial heavy metal atom FIMA) were examined. These represent the first known highly irradiated TRISO fuel compacts to be examined via X-ray CT. Additionally, two unirradiated compacts from the same production batch as the examined irradiation compacts were also imaged for a baseline comparison. As XCT of irradiated TRISO compacts is not a commonly implemented characterization technique, a significant portion of the report focuses on developed methodology and imaging conditions. A specialized sample shielding device was developed and fabricated specifically to limit received dose to staff during sample preparation for XCT and to minimize excess gamma radiation dose to sensitive electronic components with the utilized X-ray system. Significant penetration through the uranium oxycarbide fuel kernels by significantly hardening the X-ray beam with specialized proprietary filters acquired from Carl Zeiss NTS Ltd. The filter utilized resulted in an average X ray photon energy of ~110 keV which approaches uranium’s K-edge (~115 keV), maximizing penetration for a microfocus X-ray source. The gamma-radiation emitted from the irradiated AGR-3/4 TRISO compacts, has the same properties and mechanisms for interaction with matter as X-rays, thus the detection of gamma-radiation by the utilized X-ray detectors was initially a concern. However, although ?-rays did produce an observable signal on the X-ray detector, its contribution to the overall imaging results appeared negligible upon 3D reconstruction. The neglibile impact on the resulting 3D reconstructed volumes were likely the result of: (1) a significantly lower detection efficiency for ?-rays relative to X-rays; (2) An X-ray flux at the detector several orders of magnitude higher than that of the impinging ?-rays from the irradiated compacts. These results suggest that irradiated compacts with significantly higher radiation fields can be examined in the future if an acceptable route for sample handling and preparation can be determined. Additionally, the 3D imaging results of XCT can provide a valuable means of assessing compacts. While in many ways complimentary to traditional post irradiation examination techniques such as optical ceramography, XCT can provide additional insight into compact features traditionally difficult to discern directly from cross-sectional imaging alone. Preliminary analyses on kernel size, morphology (aspect ratio and sphericity), and kernel orientation were presented. Sphericity, a simple morphological shape descriptor, was utilized to screen for kernel extrusions within the high burnup compact. The number of kernel extrusions identified via XCT represented an approximate two-fold increase from the quantity of extruded particles observed (via optical ceramography) in adjacent compacts from the same irradiation capsule. While numerical analysis of the compact datasets was highly preliminary, initial results show promise for providing complimentary metrics to current AGR-3/4 PIE and potentially additional insight into the processes driving TRISO fuel degradation during reactor operation. Additional analyses to be performed at a later date include a more detailed examination of kernel size, kernel sphericity (and observed kernel extrusions), and sphericity. Given all particles can be observed in a single data volume possible correlation of spatial position with observed kernel features will also be made at a later date.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Chemical reactions between semiconducting single-wall carbon nanotubes (SWCNTs) and single-stranded DNA (ssDNA) achieve spatially patterned covalent functionalization sites and create coupled fluorescent quantum defects on the nanotube surface, tailoring SWCNT photophysics for applications such as single-photon emitters in quantum information technologies. The evaluation of relaxation dynamics of photoluminescence (PL) from those coupled quantum defects is essential for understanding the nanotube electronic structure and beneficial to the design of quantum light emitters. Here, we measured the PL decay for ssDNA-functionalized SWCNTs as a function of the guanine content of the ssDNA oligo that dictates the red-shifting of their PL emission peaks relative to the band-edge exciton. We then correlate the observed dependence of PL decay dynamics on energy red-shifts to the exciton potential energy landscape, which is modeled using first-principles approaches based upon the morphology of ssDNA-altered SWCNTs obtained by atomic force microscopy (AFM) imaging. In this work, our simulations illustrate that the multiple guanine defects introduced within a single ssDNA strand strongly interact to create a deep exciton trapping well, acting as a single hybrid trap. The emission decay from the distinctive trapping potential landscape is found to be biexponential for ssDNA-modified SWCNTs. We attributed the fast time component of the biexponential PL decay to the redistribution of exciton population among the lowest energy bright states and a manifold of dark states emerging from the coupling of multiple guanine defects. The long lifetime component in the biexponential decay, on the other hand, is attributed to the redistribution of exciton population among different exciton trapping sites that arise from the binding of multiple ssDNA strands along the nanotube axis. AFM measurements indicate that those trapping sites are separated on average by ~8 nm along the nanotube axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

NENCI-2021. I. A large benchmark database of non-equilibrium non-covalent interactions emphasizing close intermolecular contacts

In this work, we present NENCI-2021, a benchmark database of ~8000 Non-Equilibirum Non-Covalent Interaction energies for a large and diverse selection of intermolecular complexes of biological and chemical relevance. To meet the growing demand for large and high-quality quantum mechanical data in the chemical sciences, NENCI-2021 starts with the 101 molecular dimers in the widely used S66 and S101 databases and extends the scope of these works by (i) including 40 cation–π and anion–π complexes, a fundamentally important class of non-covalent interactions that are found throughout nature and pose a substantial challenge to theory, and (ii) systematically sampling all 141 intermolecular potential energy surfaces (PESs) by simultaneously varying the intermolecular distance and intermolecular angle in each dimer. Designed with an emphasis on close contacts, the complexes in NENCI-2021 were generated by sampling seven intermolecular distances along each PES (ranging from 0.7× to 1.1× the equilibrium separation) and nine intermolecular angles per distance (five for each ion–π complex), yielding an extensive database of 7763 benchmark intermolecular interaction energies (E int ) obtained at the coupled-cluster with singles, doubles, and perturbative triples/complete basis set [CCSD(T)/CBS] level of theory. The E int values in NENCI-2021 span a total of 225.3 kcal/mol, ranging from -38.5 to +186.8 kcal/mol, with a mean (median) E int value of -1.06 kcal/mol (-2.39 kcal/mol). In addition, a wide range of intermolecular atom-pair distances are also present in NENCI-2021, where close intermolecular contacts involving atoms that are located within the so-called van der Waals envelope are prevalent—these interactions, in particular, pose an enormous challenge for molecular modeling and are observed in many important chemical and biological systems. A detailed symmetry-adapted perturbation theory (SAPT)- based energy decomposition analysis also confirms the diverse and comprehensive nature of the intermolecular binding motifs present in NENCI-2021, which now includes a significant number of primarily induction-bound dimers (e.g., cation–π complexes). NENCI-2021 thus spans all regions of the SAPT ternary diagram, thereby warranting a new four-category classification scheme that includes complexes primarily bound by electrostatics (3499), induction (700), dispersion (1372), or mixtures thereof (2192). A critical error analysis performed on a representative set of intermolecular complexes in NENCI-2021 demonstrates that the E int values provided herein have an average error of ±0.1 kcal/mol, even for complexes with strongly repulsive E int values, and maximum errors of ±0.2–0.3 kcal/mol (i.e., ~±1.0 kJ/mol) for the most challenging cases. For these reasons, we expect that NENCI-2021 will play an important role in the testing, training, and development of next-generation classical and polarizable force fields, density functional theory approximations, wavefunction theory methods, and machine learning based intra- and inter-molecular potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Increase in the effective viscosity of polyethylene under extreme nanoconfinement

Understanding polymer transport in nanopores is crucial for optimizing heterogeneously catalyzed processes in polymer upcycling and fabricating high-performance nanocomposite films and membranes. Although confined polymer dynamics have been extensively studied, the behavior of polyethylene (PE)—the most widely used commodity polymer—in pores smaller than 20 nm remains largely unexplored. We investigate the effects of extreme nanoconfinement on PE transport using capillary rise infiltration in silica nanoparticle packings with average pore radii ranging from ~1 to ~9 nm. Using in situ ellipsometry and the Lucas–Washburn model, we discover a previously unknown inverse relationship between effective viscosity (η eff ) and average pore radius (R pore ). Additonally, we determine that PE transport under these extreme conditions is primarily governed by physical confinement, rather than pore surface chemistry. We refine an existing theory to provide a generalized formalism to describe the polymer transport dynamics over a wide range of pore radii (from 1 nm and larger). Our results offer valuable insights for optimizing catalyst supports in polymer upcycling and improving infiltration processes for nanocomposite fabrication.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Ion energy distribution in an electron beam ion trap inferred from simulations of the trapped ion cloud

For this work, we have inferred the energy distribution of trapped ions in an electron beam ion trap (EBIT) from simulations of the spatial distribution of Fe 13+ ions and a comparison with measured visible light images of the ion cloud. We simulated the cloud of Fe 13+ ions by computing ion trajectories in the EBIT for different ion energy distributions used to initialize the trajectories. We then performed a least-squares fit to infer the ion energy distribution that best reproduced the measured ion cloud. These best-fit distributions were typically non-Maxwellian. For electron beam energies of 395–475 eV and electron beam currents of 1–9 mA, we find that the average ion energy is in the range of 10–300 eV. We also find that the average ion energy increases with increasing beam current approximately as $\langle$E$\rangle$ ≈ 25 I e eV, where I e is the electron beam current in mA. We have also compared our results to Maxwell-Boltzmann-distribution ion clouds. We find that our best-fit non-thermal distributions have an $\langle$E$\rangle$ that is less than half that of the T from the best-fit Maxwell-Boltzmann distributions ($\langle$E$\rangle$/q)/T=0.41 ± 0.05.

74 ATOMIC AND MOLECULAR PHYSICS↗
NASA NTRS1994

Mesospheric ozone measurements by SAGE II

SAGE II observations of ozone at sunrise and sunset (solar zenith angle = 90 deg) at approximately the same tropical latitude and on the same day exhibit larger concentrations at sunrise than at sunset between 55 and 65 km. Because of the rapid conversion between atomic oxygen and ozone, the onion-peeling scheme used in SAGE II retrievals, which is based on an assumption of constant ozone, is invalid. A one-dimensional photochemical model is used to simulate the diurnal variation of ozone particularly within the solar zenith angle of 80 deg - 100 deg. This model indicates that the retrieved SAGE II sunrise and sunset ozone values are both overestimated. The Chapman reactions produce an adequate simulation of the ozone sunrise/sunset ratio only below 60 km, while above 60 km this ratio is highly affected by the odd oxygen loss due to odd hydrogen reactions, particularly OH. The SAGE II ozone measurements are in excellent agreement with model results to which an onion peeling procedure is applied. The SAGE II ozone observations provide information on the mesospheric chemistry not only through the ozone profile averages but also from the sunrise/sunset ratio.

Chu, D. A.↗
NASA NTRS1990

Influence of convection on microstructure

In eutectic growth, as the solid phases grow they reject atoms to the liquid. This results in a variation of melt composition along the solid/liquid interface. In the past, mass transfer in eutectic solidification, in the absence of convection, was considered to be governed only by the diffusion induced by compositional gradients. However, mass transfer can also be generated by a temperature gradient. This is called thermotransport, thermomigration, thermal diffusion or the Soret effect. A theoretical model of the influence of the Soret effect on the growth of eutectic alloys is presented. A differential equation describing the compositional field near the interface during unidirectional solidification of a binary eutectic alloy was formulated by including the contributions of both compositional and thermal gradients in the liquid. A steady-state solution of the differential equation was obtained by applying appropriate boundary conditions and accounting for heat flow in the melt. Following that, the average interfacial composition was converted to a variation of undercooling at the interface, and consequently to microstructural parameters. The results obtained show that thermotransport can, under certain circumstances, be a parameter of paramount importance.

Wilcox, William R.↗
NASA NTRS1995

Ab Initio Potential Energy Surfaces and the Calculation of Accurate Vibrational Frequencies

Due to advances in quantum mechanical methods over the last few years, it is now possible to determine ab initio potential energy surfaces in which fundamental vibrational frequencies are accurate to within plus or minus 8 cm(exp -1) on average, and molecular bond distances are accurate to within plus or minus 0.001-0.003 Angstroms, depending on the nature of the bond. That is, the potential energy surfaces have not been scaled or empirically adjusted in any way, showing that theoretical methods have progressed to the point of being useful in analyzing spectra that are not from a tightly controlled laboratory environment, such as vibrational spectra from the interstellar medium. Some recent examples demonstrating this accuracy will be presented and discussed. These include the HNO, CH4, C2H4, and ClCN molecules. The HNO molecule is interesting due to the very large H-N anharmonicity, while ClCN has a very large Fermi resonance. The ab initio studies for the CH4 and C2H4 molecules present the first accurate full quartic force fields of any kind (i.e., whether theoretical or empirical) for a five-atom and six-atom system, respectively.

Lee, Timothy J.↗
DOE OSTI2021

Improvements to the Powder Processing of near-Final Shape alnico Magnets

Alnico permanent magnets (PMs), a recent PM system of interest as an attractive rare earth-free PM alternative, have advantageous high operating temperature and magnetic saturation with the potential for utilization in electric machines, e.g. interior-PM motors found in electric vehicles, if current directional solidification methods can be replaced by a true mass production approach. Recently, two unique alnico compositions, termed Full-Co and Co-lean, with improved coercivity, were gas atomized, compression molded, and vacuum sintered (4h at 1240°C) to high densities of 97.8% and 99.3%, respectively. However, the Co-lean remained fine grained isotropic magnets and the Full-Co grains were not textured, lowering magnetic strength in spite of attempts to grow large textured grains by a stress-biased solid state grain alignment method to convert them to high energy anisotropic magnets. It was hypothesized that oxidation during de-binding in air left many prior particle boundary oxides within the sintered microstructure that hindered grain growth and texturing during the stress-biased texturing procedure and prevented the desired abnormal grain growth (AGG). Here we explored a vacuum de-binding step that was linked (in-place) to vacuum sintering and found that the Co-lean exhibited faster uniform grain growth that doubled the average grain size (40 μm to 80 μm). Linked vacuum de-binding and sintering of Full-Co produced some AGG after only 1 h of 1240°C sintering. A new direction for promoting AGG (and stress-biased texturing) in alnico is being explored that utilizes a fundamental analysis of systems with second phase particles that either inhibit or boost grain growth. This effort explores the influence of vacuum de-binding linked to a series of lower sintering temperatures at a fixed time (4h) to see if oxide particle size and volume fraction can be changed to promote AGG conditions in alnico. Surprising qualitative results indicate that AGG may be promoted for vacuum sintering at less than 1200°C.

Rinko, Emily↗
DOE OSTI2026

The 0E2 benchmarks for PWR UO 2 decay heat: an analysis from the NEA WPNCS

This paper presents the work performed in the subgroup 16 of the Working Party for Nuclear Criticality Safety (WPNCS) of the OECD Nuclear Energy Agency. The main goal was to define two decay heat benchmarks for Spent Nuclear Fuel (one pincell and one assembly), perform calculations and compare and analyze the results in light of existing calorimetric measurements. The selected case is the PWR UO2 assembly 0E2, irradiated at the Ringhals-3 reactor and measured at the Clab facility in Sweden. In total, 21 institutes worldwide participated to the exercise, leading to 55 calculated results (named C). It was found that the measured decay heat values (E) can be satisfactorily reproduced with two-dimensional assembly calculations, leading to an average C/E value of 0.99, with an uncertainty (or one standard deviation) of ±0.01.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Modeling of thermal and kinetic processes in non-equilibrium plasma ignition applied to a lean combustion engine

In recent years novel ignition systems have been developed to enable stable and efficient engine operations with lean mixtures. Among them, radio-frequency corona ignition systems create discharges that involve a much wider region compared to traditional spark, and produce non equilibrium plasma with high levels of active radicals and excited species. These devices considerably increase the early flame growth speed and extend stable operating limits. With the aim of expanding the knowledge on high efficiency lean-burn SI engines, this paper investigates and compares the combustion development generated by spark and corona ignitions through computational fluid dynamics, within the Reynolds-Averaged Navier-Stokes framework for turbulence modeling. In order to simultaneously take thermal and chemical effects into account, the Perfectly Stirred Reactor combustion model is used. Experimental data are also collected for validation in an optical access engine, for different mixture levels, from stoichiometric to very lean. Furthermore, the faster burn rate generated by the corona system in the initial stage of the combustion is well predicted by the simulations, in all the relative air-fuel ratio conditions. Remarkably, as the mixture becomes lean, simulations are able to capture the non-linear transition from fast to slow kernel growth, before a self-sustainable flame propagation is established. This correlates very well with the measured engine cyclic variability and the corresponding steep change in the duration of the flame kernel formation. Ultimately, this study highlights the important role of the atomic oxygen, as active radical, in promoting and enhancing the combustion initiated by a corona discharge, in addition to the volumetric ignition effect. By contrast, the validated simulations allow to explain that the high-temperature thermal plasma generated in a traditional spark discharge is insensitive to kinetic aspects.

42 ENGINEERING↗
DOE OSTI2024

Statistical Validation of Multiple Related Data Sets—Case Study Using Interstellar Boundary Explorer Satellite Data

Abstract Space scientists often face the question of whether data collected by different instruments are measurements of the same source population. This paper proposes a statistical validation method for evaluating the agreement between such related data sets. It offers a detailed case study focused on validating a new data set from the Interstellar Boundary Explorer (IBEX) mission, which serves as a practical how-to guide for similar analyses. Since 2008, the IBEX satellite has been gathering data on heliospheric energetic neutral atoms (ENAs) while being exposed to various sources of background noise, such as cosmic rays and solar energetic particles. The IBEX mission initially released only a qualified triple-coincidence (qABC) data product, which was designed to provide observations of ENAs free of background contamination. Further measurements revealed that the qABC data were in fact susceptible to contamination, having relatively low ENA counts and high background rates. To mitigate this issue, the mission team recently considered releasing a certain qualified double-coincidence (qBC) data product, which has roughly twice the detection rate of the qABC data product. This paper presents a simulation-based validation of the new qBC data product against the already-released qABC data product. The results show that the qBCs can plausibly be said to be measuring the same source population as the qABCs up to an average absolute deviation of 3.6%. Visual diagnostics provide additional confirmation of source rate coherence across data products. The framework introduced here is general and can be applied to other validation problems both within and outside the field of space physics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

First experimental realization of robust negative triangularity plasma control in a spherical tokamak

In this work, we present the experimental realization of a plasma with a steady negative triangularity (NT) in a spherical tokamak (MAST-U) for the first time. An average triangularity of –0.1 was maintained for 100 ms in a double-null plasma with a plasma current of 600 kA, a neutral beam injected power of 3.2 MW, a normalized β of 2, and an elongation of 2 on the MAST-U spherical tokamak. Despite many constraints, this was made possible due to the development of a dedicated plasma shape control scheme and the validation and assessment of magnetic shape controllers in simulations. Furthermore, this effort lays the foundation for physics exploitation of the NT plasma in a spherical tokamak.

negative triangularity↗
NASA NTRS1994

Low Ozone in the Marine Boundary Layer of the Tropical Pacific Ocean

Aircraft measurements of ozone, its key precursors, and a variety of chemical tracers were made in the troposphere of the western and central Pacific in October 1991. These data are presented and analyzed to examine the occurrence of low ozone concentrations in the remote marine boundary layer of the tropical and equatorial Pacific Ocean. The data from these flights out of Guam, covering an area extending from the equator to 20 N and from south of the Philippines to Hawaii, show average O3 concentrations as low as 8-9 ppb (ppb=10(exp-9)v/v) at altitudes of 0.3-0.5 km in the boundary layer. Individual measurements as low as 2-5 ppb were recorded. Low O3 concentrations do not always persist in space and time. High O3, generally associated with the transport of upper tropospheric air, was also encountered in the boundary layer. In practically all cases, O3 increased to values as large as 25-30 ppb within 2 km above the boundary layer top. Steady state model computations are used to suggest that these low O3 concentrations are a result of net photochemical O3 destruction in a low NO environment, sea-surface deposition, and extremely low net entrainment rates (1-2 mm per second) from the free troposphere. Day/night measurements of ethane, propane, gaseous and aerosol Cl suggest that daytime (morning) Cl atom concentrations in the vicinity of 10(exp 5) molecules per cubic centimeter may be present in the marine boundary layer. This Cl atom abundance can be rationalized only if sea salt aerosols can release free chlorine (Cl2) to the gas phase in the presence of sun light (and possibly O3). These Cl atom concentrations, however, are still insufficient and Cl (or Br) chemistry is not likely to be an important cause of the observed low O3.

Singh, Hanwant B.↗
DOE OSTI2023

Godiva-IV Dosimetry Exercise 2022 Preliminary Results

Integral Experiment Request (IER) 538 is part of a series of dose characterization and nuclear accident dosimetry (NAD) exercises performed under the Department of Energy (DOE) Nuclear Criticality Safety Program (NCSP). This is the second NAD exercise using the Godiva-IV critical assembly and the third NAD exercise overall. The participating laboratories provided their own dosimeters that were mounted on the Lawrence Livermore National Laboratory (LLNL) BOttle Manikin ABsorption (BOMAB) phantoms and aluminum plates. The BOMABs and plates were placed at two, three, and four meters away from the center of Godiva. Alongside the NADs, there was a LLNL Passive Neutron Spectrometer (PNS), Atomic Weapons Establishment (AWE) PNS, and Y-12 Sphere present to measure the neutron dose from Godiva. Two irradiations were conducted to test the NAD performance from each laboratory and assesses their performance to the DOE-STD-1098-2017 part 515 criteria. Neutron and gamma doses were measured prior to this exercise. This work presents a model for the neutron and gamma dose respectively to serve as the reference value. A code written in C/C++/ROOT was used to fit the measured neutron and gamma dose with the new models. It was assumed that the neutron and gamma doses are proportional to the change in temperature of Godiva after a burst irradiation. Uncertainties for the reference values were calculated using error propagation of the model’s parameters. Preliminary results (within twenty-four hours) and final results were compared for each laboratory. On average of all the participating laboratories, 32% of neutron doses and 78% of gamma doses were outside the DOE standards. One laboratory did not report their dose readings and were not included in this average. There is a bias for a lower neutron dose and a higher gamma dose based on the distribution of results. In comparison with the past Godiva-IV NAD exercise, there is an improvement in neutron dose readings by 20%.

BOttle Manikin ABsorption (BOMAB)↗
DOE OSTI2025

Rippled metamaterials with scale-dependent tailorable elasticity

Thermally induced ripples are intrinsic features of nanometer-thick films, atomically thin materials, and cell membranes, significantly affecting their elastic properties. Despite decades of theoretical studies on the mechanics of suspended thermalized sheets, controversy still exists over the impact of these ripples, with conflicting predictions about whether elasticity is scale-dependent or scale-independent. Experimental progress has been hindered so far by the inability to have a platform capable of fully isolating and characterizing the effects of ripples. This knowledge gap limits the fundamental understanding of thin materials and their practical applications. Here, we show that thermal-like static ripples shape thin films into a class of metamaterials with scale-dependent, customizable elasticity. Utilizing a scalable semiconductor manufacturing process, we engineered nanometer-thick films with precisely controlled frozen random ripples, resembling snapshots of thermally fluctuating membranes. Resonant frequency measurements of rippled cantilevers reveal that random ripples effectively renormalize and enhance the average bending rigidity and sample-to-sample variations in a scale-dependent manner, consistent with recent theoretical estimations. The predictive power of the theoretical model, combined with the scalability of the fabrication process, was further exploited to create kirigami architectures with tailored bending rigidity and mechanical metamaterials with delayed buckling instability.

Applied Physical Sciences↗