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At least 325 records · Page 18

Production of NOx by Lightning and its Effects on Atmospheric Chemistry

Production of NO(x) by lightning remains the NO(x) source with the greatest uncertainty. Current estimates of the global source strength range over a factor of four (from 2 to 8 TgN/year). Ongoing efforts to reduce this uncertainty through field programs, cloud-resolved modeling, global modeling, and satellite data analysis will be described in this seminar. Representation of the lightning source in global or regional chemical transport models requires three types of information: the distribution of lightning flashes as a function of time and space, the production of NO(x) per flash, and the effective vertical distribution of the lightning-injected NO(x). Methods of specifying these items in a model will be discussed. For example, the current method of specifying flash rates in NASA's Global Modeling Initiative (GMI) chemical transport model will be discussed, as well as work underway in developing algorithms for use in the regional models CMAQ and WRF-Chem. A number of methods have been employed to estimate either production per lightning flash or the production per unit flash length. Such estimates derived from cloud-resolved chemistry simulations and from satellite NO2 retrievals will be presented as well as the methodologies employed. Cloud-resolved model output has also been used in developing vertical profiles of lightning NO(x) for use in global models. Effects of lightning NO(x) on O3 and HO(x) distributions will be illustrated regionally and globally.

Pickering, Kenneth E.↗

Carrier properties of Bi(111) grown on mica and Si(111)

A comparison is presented between properties of Bi(111) films grown by Stranski-Krastanov epitaxy on Si(111) 7 × 7 and by van der Waals epitaxy on mica substrates. Thin film morphologies and electronic transport properties of Bi(111) films of variable thickness are investigated for each growth method. Atomic force micrographs for Bi(111) films on mica reveal clearly defined triangular regions consisting of layered steps with height 0.4 nm, corresponding to the Bi(111) bilayer height. Variable-temperature electronic transport measurements show the existence of a quantum confinement-induced energy gap in the film interiors, resulting in a semimetal-to-semiconductor transition. Magnetotransport analysis in a three-carrier model including metallic electrons in surface states and electrons and holes in the films' interiors provides a detailed study of densities, mobilities, and mean-free paths of the three carrier types. Further, improved electronic transport properties are found in Bi(111) films of higher thickness on mica compared to on Si(111), a likely result of the largely strain-free van der Waals epitaxial growth.

36 MATERIALS SCIENCE↗

The influence of lunar propellant production on the cost-effectiveness of cislunar transportation systems

It is well known that propellants produced at the points of destination such as the Moon or Mars will help the economy of space transportation, particularly if round trips with a crew are involved. The construction and operation of a lunar base shortly after the turn of the century is one of the space programs under serious consideration at the present time. Space transportation is one of the major cost drivers. With present technology, if expendable launchers were employed, the specific transportation costs of one-way cargo flights would be approximately 10,000 dollars/kg (1985) at life-cycle cumulative 100,000 ton payload to the lunar surface. A fully reusable space transportation system using lunar oxygen and Earth-produced liquid hydrogen (LH2) would reduce the specific transportation costs by one order of magnitude to less than 1000 dollars/kg at the same payload volume. Another case of primary interest is the delivery of construction material and consumables from the lunar surface to the assembly site of space solar power plants in geostationary orbit (GEO). If such a system were technically and economically feasible, a cumulative payload of about 1 million tons or more would be required. At this level a space freighter system could deliver this material from Earth for about 300 dollars/kg (1985) to GEO. A lunar space transportation system using lunar oxygen and a fuel mixture of 50 percent Al and 50 percent LH2 (that has to come from Earth) could reduce the specific transportation costs to less than half, approximately 150 dollars/kg. If only lunar oxygen were available, these costs would come down to 200 dollars/kg. This analysis indicates a sizable reduction of the transportation burden on this type of mission. It should not be overlooked, however, that there are several uncertainties in such calculations. It is quite difficult at this point to calculate the cost of lunar-produced O and/or Al. This will be a function of production rate and life-cycle length. In quoting any cost of this nature, it is very important to state the cumulative transportation volume, since this is a very sensitive parameter. Nevertheless, cost models must be developed now to understand fully the interdependencies of a large number of parameters and to provide the best possible data for planning purposes. Without such data, mission modes and vehicle designs or sizes cannot be selected intelligently.

Koelle, H. H.↗

Dataset of ultralow temperature refrigeration for COVID 19 vaccine distribution solution

Abstract Most COVID-19 vaccines require temperature control for transportation and storage. Two types of vaccine have been developed by manufacturers (Pfizer and Moderna). Both vaccines are based on mRNA and lipid nanoparticles requiring low temperature storage. The Pfizer vaccine requires ultra-low temperature storage (−80 °C to −60 °C), while the Moderna vaccine requires −30 °C storage. However, the last stage of distribution is quite challenging, especially for rural or suburban areas, where local towns, pharmacy chains and hospitals may not have the infrastructure required to store the vaccine at the required temperature. In addition, there is limited data available to address ancillary challenges of the distribution framework for both transportation and storage stages, including safety concerns due to human exposure to large amounts of CO 2 from dry-ice sublimation, issues due to the pressure increase caused by dry-ice sublimation, and the potential issue caused by non-uniform cryogenic temperatures. As such, there is a need for test dataset to assist the development of a quick, effective, secure, and safe solution to mitigate the challenges faced by vaccine distribution logistics.

60 APPLIED LIFE SCIENCES↗

Republic of Korea–United States Green Shipping Corridor Prefeasibility Study: Cargo Flows

This prefeasibility study, as a part of the decarbonization efforts through the Mission Innovation Zero Emission Shipping Mission, was conducted to provide a high-level assessment of the opportunities and challenges in planning and implementing green shipping corridors between major commercial seaports in the United States of America (USA) and the Republic of Korea (ROK). For each country, three major ports were included in the scope of this study: Seattle, Tacoma, and Everett (all in Washington State) for the USA and Busan, Ulsan, and Masan for the ROK. This prefeasibility study report focuses on describing operation characteristics of major vessel and cargo flows between the two countries. Vessel shipments directly affect energy use and demand. Therefore, it is critically important to understand which major vessel types and cargo types are operated or transported within the selected scope and to identify potential target segments for green shipping. Furthermore, this prefeasibility study also discusses limitations and additional assessments that need to be further analyzed in the next stage of the feasibility study. The summary findings and observations discussed in this report are not intended to be used to determine the final target corridors, but to guide later, deeper assessments of their potential impacts and challenges. In the following section, the data sources used in this study are discussed. Section 0 shows the overall vessel trades between the USA and ROK, considering all ports in the two countries. Then, a more detailed analysis by vessel type and cargo flow is presented in Sections 3–6 based on only the three-to-three ports between the two countries. Finally, Section 7 summarizes the findings with suggested target segmentations for the vessel types and discusses other limitations to be considered during the later feasibility stage.

42 ENGINEERING↗

Risk-Informed Approach for Regulatory Approval of Microreactor Transport

Pacific Northwest National Laboratory (PNNL) is addressing the challenges associated with safe transport of microreactors including the development and evaluation of regulatory options. PNNL developed a risk-informed regulatory framework for the licensing of the transportation of microreactors in which irradiated nuclear fuel is part microreactor transportation package. The framework lays out a viable regulatory pathway, including decision points for regulatory options and the supporting technical evaluations for those options in phases from near to long term. A microreactor and its contents will likely not be able to meet all the federal regulatory requirements as a Type B or fissile material transportation package under 10 CFR Part 71 (“Packaging and Transportation of Radioactive Material”). However, the regulatory framework developed by PNNL lays out a viable risk-informed licensing options that are safe and feasible. Risk assessment such as probabilistic risk assessment (PRA) can be used to show comparable safety to that provided by a Type B or fissile material package for surface transport. The framework includes guidance on applicable regulations and discusses historical precedence in using risk information for transportation licensing. The framework includes guidance for performing a microreactor transportation PRA, use and development of risk evaluation criteria, and factors such of defense-in-depth and safety margin concepts. Key advantages of using the approach are (1) increasing the likelihood of successfully obtaining regulatory transportation package approval, (2) informing the design on the relative risk significance of microreactor containment and shielding, and (3) informing the need for transportation compensatory measures. This paper focuses on two primary elements of the framework which are development of a transportation PRA for microreactor packages and development of the risk acceptance guidelines to assess the results of the PRA for regulatory decision-making.

microreactor, micro nuclear power plant, MNPP, ris↗

X-ray imaging and radiation transport effects on cylindrical implosions

Magnetization of inertial confinement implosions is a promising means of improving their performance, owing to the potential reduction of energy losses within the target and mitigation of hydrodynamic instabilities. In particular, cylindrical implosions are useful for studying the influence of a magnetic field, thanks to their axial symmetry. In this work, we present experimental results from cylindrical implosions on the OMEGA-60 laser using a 40-beam, 14.5 kJ, 1.5 ns drive and an initial seed magnetic field of B 0 = 30 T along the axes of the targets, compared with reference results without an imposed B-field. Implosions were characterized using time-resolved x-ray imaging from two orthogonal lines of sight. We found that the data agree well with magnetohydrodynamic simulations, once radiation transport within the imploding plasma is considered. We show that for a correct interpretation of the data in these types of experiments, explicit radiation transport must be taken into account.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Space transportation, satellite services, and space platforms

The paper takes a preview of the progressive development of vehicles for space transportation, satellite services, and orbital platforms. A low-thrust upper stage of either the ion engine or chemical type will be developed to transport large spacecraft and space platforms to and from GEO. The multimission spacecraft, space telescope, and other scientific platforms will require orbital serves going beyond that provided by the Shuttle's remote manipulator system, and plans call for extravehicular activity tools, improved remote manipulators, and a remote manned work station (the cherry picker).

Disher, J. H.↗

Investigation of Vibrational Control of the Bridgman Crystal Growth Technique

The objectives are: Conduct a parametric theoretical and numerical investigation of vibro-convective buoyancy-driven flow in differentially heated cylindrical containers. Investigate buoyant vibro-convective transport regimes in Bridgman-type systems with a focus on the use of vibration to suppress, or control, convection in order to achieve transport control during crystal growth. Assess the feasibility of vibro-convective control as a means of offsetting "g-jitter" effects under microgravity conditions, Exchange information with the experimental group at the General Physics Institute (GPI) of the Russian Academy of Science who are undertaking a complementary experimental program.

Fedoseyev, Alexandre I.↗

The current status of high temperature electrochemistry-based CO 2 transport membranes and reactors for direct CO 2 capture and conversion

The concept of direct CO 2 capture and conversion has attracted significant interest from industries and academia in recent decades due to its potential to address the current grand challenge of global warming/climate change, rapid depletion of fossil fuels and realization of a future carbon neutral ecosystem. The incumbent benchmark technology for CO 2 capture is the post-combustion flue-gas “amine washing”, which is energy intensive and costly for large-scale commercial implementation. The CO 2 conversion technologies, on the other hand, are still at their infancy with many technical challenges to overcome, but primarily being explored in laboratory-scale, low-temperature, solution-based and high-temperature, solid-oxide-based electrochemical cells with renewable electricity perceived as the energy input. In this article, we provide a comprehensive overview on an emergent class of high-temperature electrochemical CO 2 transport membranes that can capture and convert CO 2 into valuable chemicals in single catalytic reactor fashion. The review starts with the chemistry and transport theory of three basic types of membranes purposely designed for different CO 2 feedstocks and downstream conversions. A range of key functional materials used in these membranes and their microstructural/electrochemical properties important to the CO 2 transport are then thoroughly discussed in conjunction with the effects of surface modifications and operating conditions. Several types of combined CO 2 capture and conversion catalytic reactors based on these membranes are also assessed with a focus on their working principles, system configurations and performance demonstrations. Finally, challenges and prospective of these electrochemical CO 2 transport membranes and their associated conversion reactors are candidly discussed for future development.

10 SYNTHETIC FUELS↗

Structural, Electronic, and Thermal Properties of CdSnAs 2

Structural, electrical, and thermal properties of CdSnAs 2 , with analyses from temperature-dependent transport properties over a large temperature range, are reported. Phase-pure microcrystalline powders were synthesized that were subsequently densified to a high-density homogeneous polycrystalline specimen for this study. Temperature-dependent transport indicates n-type semiconducting behavior with a very high and nearly temperature independent mobility over the entire measured temperature range, attributed to the very small electron effective mass of this material. The Debye model was successfully applied to model the thermal conductivity and specific heat. Furthermore, this work contributes to the fundamental understanding of this material, providing further insight and allowing for investigations into altering this and related physical properties of these materials for technological applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Using sub-limb observations to measure gravity waves excited by convection

Convective gravity waves are a major driver of atmospheric circulation, including the stratospheric and mesospheric quasi-biennial oscillation (QBO) and the Brewer–Dobson circulation. Previous work shows clear evidence that these waves can be excited by both single convective cells and by mesoscale convective complexes acting as a single unit. However, the partitioning of the generated waves and, crucially for atmospheric model development, the flux of momentum they transport between these two types of excitation process remains highly uncertain due to a fundamental lack of suitable observations at the global scale. Here, we use both theoretical calculations and sampled output from a high-resolution weather model to demonstrate that a satellite instrument using a sub-limb geometry would be well suited to characterising the short-vertical short-horizontal gravity waves these systems produce, and hence to provide the scientific knowledge needed to identify the relative wave-driving contribution of these two types of convective wave excitation.

54 ENVIRONMENTAL SCIENCES↗

Single-cell multimodal imaging uncovers energy conversion pathways in biohybrids

Microbe–semiconductor biohybrids, which integrate microbial enzymatic synthesis with the light-harvesting capabilities of inorganic semiconductors, have emerged as promising solar-to-chemical conversion systems. Improving the electron transport at the nano–bio interface and inside cells is important for boosting conversion efficiencies, yet the underlying mechanism is challenging to study by bulk measurements owing to the heterogeneities of both constituents. Here we develop a generalizable, quantitative multimodal microscopy platform that combines multi-channel optical imaging and photocurrent mapping to probe such biohybrids down to single- to sub-cell/particle levels. We uncover and differentiate the critical roles of different hydrogenases in the lithoautotrophic bacterium Ralstonia eutropha for bioplastic formation, discover this bacterium’s surprisingly large nanoampere-level electron-uptake capability, and dissect the cross-membrane electron-transport pathways. Furthermore, this imaging platform, and the associated analytical framework, can uncover electron-transport mechanisms in various types of biohybrid, and potentially offers a means to use and engineer R. eutropha for efficient chemical production coupled with photocatalytic materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Deconvoluting charge-transfer, mass transfer, and ohmic resistances in phosphonic acid–sulfonic acid ionomer binders used in electrochemical hydrogen pumps

Ion-pair high-temperature polymer electrolyte membranes (HT-PEMs) paired with phosphonic acid ionomer electrode binders have substantially improved the performance of HT-PEM electrochemical hydrogen pumps (EHPs) and fuel cells. Here, blending poly(pentafluorstyrene-co-tetrafluorostyrene phosphonic acid) (PTFSPA) with Nafion™, and using this blend as an electrode binder, improved proton conductivity in the electrode layer resulting in a 2 W cm –2 peak power density of fuel cells at 240 °C (a HT-PEM fuel cell record). However, much is unknown about how phosphonic acid ionomers blended with perfluorosulfonic acid materials affect electrode kinetics and gas transport in porous electrodes. In this work, we studied the proton conductivity, electrode kinetics, and gas transport resistances of 3 types of phosphonic acid ionomers, poly(vinyl phosphonic acid), poly(vinyl benzyl phosphonic acid), and PTFSPA by themselves and when blended with Aquivion® (a perfluorosulfonic acid material).

08 HYDROGEN↗

Structural Analysis Approach for the Defense Programs Package 3 (DPP-3)

The Pacific Northwest National Laboratory (PNNL) is the design authority for a new Type B hazardous materials transportation package designated as the Defense Programs Package 3 (DPP-3) for the U.S. Department of Energy (DOE) National Nuclear Security Administration (NNSA). The DPP-3 has been developed using similar materials and fabrication methods employed in previous U.S. Nuclear Regulatory Commission (NRC), DOE, and NNSA certified packages. The DPP-3 design criteria are derived from the American Society of Mechanical Engineers (ASME) Boiler and Pressure Vessel Code (BPVC), NNSA guidance and NRC regulatory guides in order to safely and securely transport a variety of payloads. Final regulatory approval by the NNSA will require physical testing to demonstrate that the containment vessel (CV) remains leaktight after enduring the entire regulatory testing sequence prescribed in Title 10 of the Code of Federal Regulations Part 71 (10 CFR 71). In order to gain confidence that the DPP-3 will remain leaktight after testing, the DPP-3 has been structurally analyzed using the Finite Element Analysis (FEA) software LS-DYNA. The FEA analyses serve two general purposes: first, they aid in design and development of the package, and second, they advise as to which drop orientations are expected to cause the most damage during regulatory testing. This paper will discuss how the design criteria are incorporated into analytical techniques needed to evaluate the FEA structural simulation results for 10 CFR 71 conditions to give confidence the DPP-3 testing campaign will be successful.

Sakalaukus Jr., Peter J.↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Safeguards-Informed Hybrid Imagery Dataset [Poster]

Deep Learning computer vision models require many thousands of properly labelled images for training, which is especially challenging for safeguards and nonproliferation, given that safeguards-relevant images are typically rare due to the sensitivity and limited availability of the technologies. Creating relevant images through real-world staging is costly and limiting in scope. Expert-labeling is expensive, time consuming, and error prone. We aim to develop a data set of both realworld and synthetic images that are relevant to the nuclear safeguards domain that can be used to support multiple data science research questions. In the process of developing this data, we aim to develop a novel workflow to validate synthetic images using machine learning explainability methods, testing among multiple computer vision algorithms, and iterative synthetic data rendering. We will deliver one million images – both real-world and synthetically rendered – of two types uranium storage and transportation containers with labelled ground truth and associated adversarial examples.

97 MATHEMATICS AND COMPUTING↗