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All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Progress Report on Model Development for Aerosol Transport through Divergent Cracks Paths

This report summarizes the progress in developing a phenomenological model of aerosol transport, deposition, and plugging through microchannels. The purpose of this effort is to introduce to a user community—involving researchers, regulators, and industry—a generic, reliable numerical model for the prediction of aerosol transport while accounting for potential deposition and plugging of the leak paths to model spent nuclear fuel (SNF) release from postulated Stress Corrosion Cracks in canisters under storage or transportation. Current work focuses on expanding the model to predict aerosol (and gas) flow through complex microchannel (nozzle) geometries in addition to the rectangular and cylindrical geometries, as we approach more realistic Stress Corrosion Crack conditions. In this regard, a divergent nozzle geometry, used at Sandia National Laboratories (SNL) for testing aerosol release and retention (Durbin et al. 2021), was added to the model. The model was then validated with blowdown data for the particular microchannel, from experiments conducted at SNL. The report also presents preliminary non-benchmarked aerosol penetration fraction and mass flow rate for a monodisperse 10-micron (AED) particle concentration of 1.7e-08 kg/m 3 being released through the divergent microchannel geometry from the SNL’s aerosol experimental tank setup.Future work will involve validating the aerosol model and updating the model’s Graphical User Interface (GUI) to include the divergent nozzle geometry. This is expected to help stakeholders perform quick and easy first principles calculations without needing to understand the underlying MATLAB script.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Evaluation of Thermal Neutron Scattering Cross Section of Uranium Silicide with Ab Initio Lattice Dynamics

Uranium silicide (U 3 Si 2 ) is a candidate material for the high-density nuclear fuel in commercial light water reactors [1], [2]. Its higher uranium density, 11.3 g-U/cm3, compared to that of uranium dioxide (UO 2 ), 9.7 g-U/cm3, can improve the performance of a nuclear reactor while using low enriched uranium (LEU) and diversify the choice of cladding materials [1]–[3]. It also has a higher thermal conductivity than UO 2 , which can reduce the thermal stress on the material caused by a temperature gradient across the fuel pellet and provide a larger margin for some postulated accidents [1], [2], [4]. Furthermore, compared to U3Si, another high-density fuel candidate, it has better resistance to in-pile swelling due to less irradiation-induced rapid amorphization [1], [3]. Corresponding to its importance in nuclear engineering, many previous studies have reported the properties of U3Si2. Experiments showed that U 3 Si 2 is a paramagnetic (PM) metal, where a slight linear increase in magnetic susceptibility was measured with increasing temperature [5], [6]. In addition, thermodynamic quantities such as thermal expansion coefficient, heat capacity, and thermal conductivity were experimentally determined over a wide temperature range [1], [7], [8]. In several computational studies, ab initio atomistic simulations based on density functional theory (DFT) were performed to calculate various properties including elastic constants, electronic density of states (DOS), and phonon dispersion curves [9]–[12]. Nevertheless, thermal neutron scattering cross sections, which are critical to the prediction of the parameters in reactor physics that are ultimately related to reactor criticality, have not yet been evaluated for U3Si2. The scattering cross section can be calculated from the phonon DOS, or the energy spectrum of lattice vibrations, of the crystalline system [13], [14]. However, there is also no experimental data available for the phonon DOS of U 3 Si 2 . While some computational studies reported the phonon DOS and/or dispersion curves from ab initio simulations [9]–[12], the accuracy cannot be guaranteed because it is unclear whether the spin-polarization behavior of PM U 3 Si 2 was properly described. In the present study, the thermal neutron scattering cross section for U 3 Si 2 is evaluated for the first time by calculating the phonon DOS for U3Si2 from ab initio lattice dynamics (AILD) simulations based on DFT. First, U 3 Si 2 is modeled based on the experimental structure, and AILD simulations are performed on the modeled U3Si2 to optimize the structure. Next, AILD simulations are performed for supercells with atomic displacement to calculate Hellmann-Feynman forces. Based on the calculated forces, partial phonon DOSs for U and Si are obtained, and the thermal neutron scattering law (TSL) for U 3 Si 2 is finally evaluated. To verify the accuracy of the calculations in the present study, the calculation results are compared with experimental data on the structure and heat capacity of U3Si2 [1], [7], [8], [15].

Geometry Optimization↗
DOE OSTI2021

Measurement report: Cloud condensation nuclei activity and its variation with organic oxidation level and volatility observed during an aerosol life cycle intensive operational period (ALC-IOP)

Abstract. Cloud condensation nuclei (CCN) spectrum and the CCN activated fraction of size-resolved aerosols (SR-CCN) were measured at a rural site on Long Island during the Department of Energy (DOE) aerosol life cycle intensive operational period (ALC-IOP) from 15 July to 15 August 2011. During the last week of the ALC-IOP, the dependence of the activated fraction on aerosol volatility was characterized by sampling downstream of a thermodenuder (TD) operated at temperatures up to 100 ∘C. Here we present aerosol properties, including aerosol total number concentration, CCN spectrum, and the CCN hygroscopicity, for air masses of representative origins during the ALC-IOP. The hygroscopicity of organic species in the aerosol is derived from CCN hygroscopicity and chemical composition. The dependence of organic hygroscopicity on the organic oxidation level (e.g., atomic O:C ratio) agrees well with theoretical predictions and results from previous laboratory and field studies. The derived κorg and O:C ratio first increase as TD temperature increases from 20 ∘C (i.e., ambient temperature) to 50 or 75 ∘C and then decrease as TD temperature further increases to 100 ∘C. The initial increases of O:C and κorg with TD temperature below 50 ∘C are likely due to evaporation of more volatile organics with relatively lower O:C and hygroscopicity such as primary organic aerosol. At the high TD temperatures, the decreases of O:C and κorg indicate that evaporated organics were more oxygenated and had lower molecular weights. These trends are different from previous laboratory experiments and field observations, which reported that organic O:C increased monotonically with increasing TD temperature, whereas κorg decreased with the TD temperature. One possible reason is that previous studies were either focused on laboratory-generated secondary organic aerosol (SOA) or based on field observations at locations more dominated by SOA.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

AGC-4 Disassembly Report

The Advanced Reactor Terminology Graphite Research and Development program is currently measuring irradiated material property changes in several grades of nuclear graphite to predict behavior and operating performance within the core of these new high temperature reactor designs. The Advanced Graphite Creep (AGC) experiment, consisting of six irradiation capsules, will generate the irradiated graphite performance data for the Very High Temperature Reactor operating conditions. All six capsules in the experiment conducted at Idaho National Laboratory will be irradiated in the Advanced Test Reactor, disassembled in the Hot Fuel Examination Facility, and examined at the Idaho National Laboratory Research Center. This is the disassembly report describing the disassembly, shipment, post irradiation inspection, and storage of the graphite specimens contained within the AGC 4 irradiation test series capsule (the fourth irradiation capsule of the series). AGC 4 was irradiated in the Advanced Test Reactor (ATR) East Flux Trap (EFT) during ATR Cycle 157D, 158A, 162A, 162B, 164A, 164B, 166A, and Cycle 166B. Approximately 3.6 dpa was achieved. Desired experiment temperatures were exceeded by at least 100C during the second Cycle of irradiation due to the insertion of the KJRR experiment. The capsule was removed from the ATR and transferred to the Hot Fuel Examination Facility on May 15, 2020 and eventually unloaded into the Hot Fuel Examination Facility (HFEF) Decon Cell through Penetration 2D on February 26, 2021. It was moved to the HFEF Main Cell Window 3M for disassembly on March 15, 2021. Disassembly and specimen extraction began March 18, 2021, and packaging of the graphite specimens was completed on April 16, 2021. Several anomalies were noted, specifically that the radiological dose rates were nominally an order of magnitude higher than that of the previous AGC experiments. This report summarizes the disassembly of the AGC 4 experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

AGC-4 Disassembly Report

The Advanced Reactor Terminology Graphite Research and Development program is currently measuring irradiated material property changes in several grades of nuclear graphite to predict behavior and operating performance within the core of these new high temperature reactor designs. The Advanced Graphite Creep (AGC) experiment, consisting of six irradiation capsules, will generate the irradiated graphite performance data for the Very High Temperature Reactor operating conditions. All six capsules in the experiment conducted at Idaho National Laboratory will be irradiated in the Advanced Test Reactor, disassembled in the Hot Fuel Examination Facility, and examined at the Idaho National Laboratory Research Center. This is the disassembly report describing the disassembly, shipment, post irradiation inspection, and storage of the graphite specimens contained within the AGC 4 irradiation test series capsule (the fourth irradiation capsule of the series). AGC 4 was irradiated in the Advanced Test Reactor (ATR) East Flux Trap (EFT) during ATR Cycle 157D, 158A, 162A, 162B, 164A, 164B, 166A, and Cycle 166B. Approximately 3.6 dpa was achieved. Desired experiment temperatures were exceeded by at least 100C during the second Cycle of irradiation due to the insertion of the KJRR experiment. The capsule was removed from the ATR and transferred to the Hot Fuel Examination Facility on May 15, 2020 and eventually unloaded into the Hot Fuel Examination Facility (HFEF) Decon Cell through Penetration 2D on February 26, 2021. It was moved to the HFEF Main Cell Window 3M for disassembly on March 15, 2021. Disassembly and specimen extraction began March 18, 2021, and packaging of the graphite specimens was completed on April 16, 2021. Several anomalies were noted, specifically that the radiological dose rates were nominally an order of magnitude higher than that of the previous AGC experiments. This report summarizes the disassembly of the AGC 4 experiment.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Report for Pecos Activities (CY 2019)

All experiments involving the Pecos target chamber in calendar year (CY) 2019 were dedicated to Pre-Heat studies in the context of Magnetized Liner Inertial Fusion (MagLIF). Activities at the target area included actual laser shots but also diagnostic and maintenance, and preparatory work for experiments with cryogenically cooled targets, which are anticipated for CY 2020. Since the Z-Beamlet and Z-Petawatt lasers support multiple campaigns, we can only anticipate laser and laser-operator time for one out of three shot windows in a day, and typically not on every day of the week. For that reason, many of our non-shot activities need to be traded against shots as well.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

EPCAPE – Proton Transfer Reaction Mass Spectrometer Field Campaign Report

The Eastern Pacific Cloud Aerosol Precipitation Experiment – Proton Transfer Reaction Mass Spectrometer (EPCAPE-PTRMS) campaign was created in response to the urgent need expressed by EPCAPE co-investigators for measurements of volatile organic compounds (VOCs) during the EPCAPE intensive operational period. A proton transfer reaction time-of-flight mass spectrometer (PTR-ToF-MS, model 8000, Ionicon Analytik) was deployed to Mt. Soledad, San Diego, California, on 15 May 2023 for the measurement of VOCs. The instrument was installed in the same Atmospheric Radiation Measurement (ARM) user facility guest container that the Smith group used for the EPCAPE – Ultrafine Particle Properties (EPCAPE-UPP) campaign. The Smith group provided the sample inlet and operated and maintained the instrument. A complete VOC mass spectrum was recorded every 10 sec, continuously. Calibrations using a traceable VOC mixture were performed onsite at the end of the campaign.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

TEAMER Technical Support for Optimal Control of an Oscillating Surge Wave Energy Converter (CRADA Final Report)

This project will focus on running experiments that evaluate the benefits of using model predictive control (MPC) to optimize power absorbed by a laboratory-scale oscillating surge wave energy converter (OSWEC). MPC is a promising technique to optimize wave energy converter (WEC) behavior while applying system constraints that can help promote structural integrity and device survivability, but there are few studies that experimentally test this control scheme on WECs. Therefore, the Participant is proposing a series of tests that will assess the benefits of MPC experimentally in response to a variety of sea states. For these tests, the Participant will provide the OSWEC device and Data Acquisition (DAQ) system, and request support from the Contractor to use and operate the wave tank for experiments.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Uruguay's Action Plan and Experience for Power Sector Decarbonization

A collaborative report from the Clean Energy Ministerial (CEM), Lessons Learned for Rapid Decarbonization of Power Sectors, was delivered to energy ministers and presented at the 13th CEM (CEM13) in the United States in September 2022. In light of these lessons learned and discussed at CEM13, several jurisdictions signaled intent to develop Action Plans for power sector decarbonization. The first cohort of Action Plans was released at CEM14 in India in July 2023. The Uruguay Ministry of Industry, Energy and Mining is pleased to release this Action Plan as a contribution to the second cohort of Action Plans released at CEM15 in Brazil in October 2024. The Action Plans, supported by the 21st Century Power Partnership, and other CEM workstreams via direct technical assistance and capacity building, are intended to focus on select implementation actions given each country's existing power sector goals and activities, and are an opportunity for countries to display leadership in power sector decarbonization. The Action Plans are organized in a framework for planning, building, and operating, as well as stakeholder engagement where appropriate based on country priorities. They complement, but are differentiated from, other international power sector initiatives such as the Breakthrough Agenda (whose broad purpose is to raise collective ambition) and the Global Power System Transformation Consortium (whose goals are to convene power system operators to accelerate research innovations and foster peer learning). These Action Plans are voluntary, developed by each country individually, not comprehensive of all activities within the jurisdiction, and are living documents that are subject to change.

21st Century Power Partnership↗
DOE OSTI2020

Systematically Improving Espresso: Insights from Mathematical Modeling and Experiment

Espresso is a beverage brewed using hot, high-pressure water forced through a bed of roasted coffee. Despite being one of the most widely consumed coffee formats, it is also the most susceptible to variation. Here, we report a novel model, complimented by experiment, that is able to isolate the contributions of several brewing variables, thereby disentangling some of the sources of variation in espresso extraction. Under the key assumption of homogeneous flow through the coffee bed, a monotonic decrease in extraction yield with increasingly coarse grind settings is predicted. However, experimental measurements show a peak in the extraction yield versus grind setting relationship, with lower extraction yields at both very coarse and fine settings. This result strongly suggests that inhomogeneous flow is operative at fine grind settings, resulting in poor reproducibility and wasted raw material. With instruction from our model, we outline a procedure to eliminate these shortcomings.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

In-operando synchrotron experiments of flash sintering carried out in current rate mode

Here, we report first-time results for in-operando flash sintering synchrotron experiments carried out in current rate mode where the specimen, held at a constant temperature, is fed current that is increased at a constant rate. These experiments are unique because the time dependence of the sintering behavior can be stretched out over a longer period (by changing the current rate) than in voltage-to-current experiments in which sintering occurs in a burst at the onset of the flash. Two results are presented: (i) A comparison of temperatures measured with the platinum standard to those predicted by the black body radiation model leading to estimates of the emissivity as a function of porosity whereby emissivity increases from 0.65 to 0.9 as the sample sinters from its green state to full density, and (ii) measurements of the excess lattice expansion as a function of density as the sample sinters continuously while the current is increased. The present work highlights the promise of current rate experiments to obtain results while the sample sinters gradually from its green density to full density (somewhat akin to conventional sintering) for gaining further insights into the mechanisms of flash sintering.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Search for π 0 decays to invisible particles

The NA62 experiment at the CERN SPS reports a study of a sample of 4 × 10 9 tagged π0 mesons from K + → π + π 0 (γ), searching for the decay of the π 0 to invisible particles. No signal is observed in excess of the expected background fluctuations. An upper limit of 4.4 × 10 –9 is set on the branching ratio at 90% confidence level, improving on previous results by a factor of 60. This result can also be interpreted as a model- independent upper limit on the branching ratio for the decay K + → π + X, where X is a particle escaping detection with mass in the range 0.110–0.155 GeV/c 2 and rest lifetime greater than 100 ps. Model-dependent upper limits are obtained assuming X to be an axion-like particle with dominant fermion couplings or a dark scalar mixing with the Standard Model Higgs boson.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

The Experience Economy in a Wine Destination—Analysing Visitor Reviews

Wine tourism in rural territories, sometimes organised along wine routes, increasingly attracts visitors, tourism agents, wine producers and those responsible for developing rural territories. Wine tourism is located at the intersection of two distinct business sectors: the agribusiness-oriented wine production and the hedonic service/experience-oriented tourism activity. From the tourism perspective, the visitor experience is paramount and requires an understanding of its nature, conditioning factors and possible outcomes. This study analyses tourist experiences of the Bairrada wine route/Portugal, as reported by regional visitors on TripAdvisor. Results reveal not only the overall quite positive evaluation of these experiences, but also the importance of the aesthetic and educational experience dimensions, when applying Pine and Gilmore’s consumer experience framework. Diverse experience contexts contribute to a rich terroir experiencescape, where contents are far from limited to wine, wine cellars or wineries. These contexts seem to be connected distinctly to diverse experience dimensions, whose analysis should help regional developers understand the role of core resources and conditions for attracting, satisfying and delighting visitors. Additional understanding of the relationship between experience dimensions and outcomes, namely satisfaction and destination loyalty, should further help develop wine destinations more successfully.

Kastenholz, Elisabeth↗
DOE OSTI2023

Unlocking High Capacity and Fast Na + Diffusion of H x CrS 2 by Proton-Exchange Pretreatment

This study presents a new material, “H x CrS 2 " (denotes approximate composition) formed by proton-exchange of NaCrS 2 which has a measured capacity of 728 mAh g -1 with significant improvements to capacity retention, sustaining over 700 mAh g -1 during cycling experiments. This is the highest reported capacity for a transition metal sulfide electrode and outperforms the most promising proposed sodium anodes to date. H x CrS 2 exhibits a biphasic structure featuring alternating crystalline and amorphous lamella on the scale of a few nanometers. This unique structural motif enables reversible access to Cr redox in the material resulting in higher capacities than seen in the parent structure which features only S redox. In conclusion, pretreatment by proton-exchange offers a route to materials such as H x CrS 2 which provide fast diffusion and high capacities for sodium-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2025

Multiplicity dependence of ${\Xi }_{\text{c}}^{+}$ and ${\Xi }_{\text{c}}^{0}$ production in pp collisions at $\sqrt{s}=13$ TeV

The first measurement at midrapidity (|y| < 0.5) of the production yield of the strange-charm baryons $Ξ$$^{+}_{c}$ and $Ξ$$^{0}_{c}$ as a function of transverse momentum (p T ) in different charged-particle multiplicity classes in proton-proton collisions at $\sqrt{s}$ = 13 TeV with the ALICE experiment at the LHC is reported. The $Ξ$$^{+}_{c}$ baryon is reconstructed via the $Ξ$$^{+}_{c}$ → $Ξ$ – π + π + decay channel in the range 4 < p T < 12 GeV/c, while the $Ξ$$^{0}_{c}$ baryon is reconstructed via both the $Ξ$$^{0}_{c}$ → $Ξ$ – π + and $Ξ$$^{0}_{c}$ → $Ξ$ – e + ν e decay channels in the range 2 < p T < 12 GeV/c. The baryon-to-meson ($Ξ$$^{0}_{c}$ + /D 0 ) and the baryon-to-baryon ($Ξ$$^{0}_{c}$ + /Λ$^{+}_{c}$) production yield ratios show no significant dependence on multiplicity. In addition, the observed yield ratios are not described by theoretical predictions that model charm-quark fragmentation based on measurements at e + e − and e − p colliders, indicating differences in the charm-baryon production mechanism in pp collisions. A comparison with different event generators and tunings, including different modelling of the hadronisation process, is also discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Evaluation of CMIP6 models in simulating the statistics of extreme precipitation over Eastern Africa

We report the Eastern Africa region experiences frequent extreme precipitation events that can cause destruction of property and environment, and loss of lives. Thus, there is a need to understand how these events may change in the future and how well the global climate models that are used to make projections can simulate precipitation extremes in this region before they can be used in downscaling or flood and drought impact assessment studies. In this work, we evaluated the ability of sixteen Coupled Model Intercomparison Project Phase 6 (CMIP6) models to simulate present-day precipitation extremes over the Eastern Africa region during the two rainy seasons (March–May and September–November). We used nine extreme precipitation indices (including seven (one) indices of wet (dry) extremes) defined by the Expert Team on Climate Change Detection and Indices. The CMIP6 models were evaluated against two gridded observation datasets: Global Precipitation Climatology Project One-Degree Daily Dataset and Tropical Rainfall Measuring Mission Multi-satellite Precipitation Analysis 3B42. Three model performance metrics (percentage bias, normalized root-mean-square error, and pattern correlation coefficient) were employed to further assess the strengths and weakness of the models. Our results show that the multi-model ensemble mean generally provides a better representation of observed precipitation and related extremes compared to individual models when considering all metrics and seasons. Several consistent biases are evident across CMIP6 models, which tend to overestimate the total-wet day precipitation and consecutive wet days, and underestimate very wet days and maximum 5-day precipitation in both seasons. Furthermore, no single model consistently performs best, model performance varies with the season and index under consideration and is generally independent of horizontal resolution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Diamond rotors

The resolution of magic angle spinning (MAS) nuclear magnetic resonance (NMR) spectra remains bounded by the spinning frequency, which is limited by the material strength of MAS rotors. Since diamond is capable of withstanding 1.5–2.5x greater MAS frequencies, compared to state-of-the art zirconia, we fabricated rotors from single crystal diamond. When combined with bearings optimized for spinning with helium gas, diamond rotors could achieve the highest MAS frequencies to date. Furthermore, the excellent microwave transmission properties and thermal conductivity of diamond could improve sensitivity enhancements in dynamic nuclear polarization (DNP) experiments. The fabrication protocol we report involves novel laser micromachining and produced rotors that presently spin at ω r = 111.000 ± 0.004 kHz, with stable spinning up to 124 kHz, using N 2 gas as the driving fluid. Here, we present the first proton-detected 13 C/ 15 N MAS spectra recorded using diamond rotors, a critical step towards studying currently inaccessible ex-vivo protein samples with MAS NMR. Previously, the high aspect ratio of MAS rotors (~10:1) precluded fabrication of MAS rotors from diamond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗