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DOE OSTI2019

Transportation of Radioactive Waste in Support of Ontario Power Generation's Darlington Nuclear Generating Station Refurbishment Project - 19384

Ontario Power Generation's (OPG) Darlington Nuclear Generating Station (DNGS) is currently executing a major refurbishment of the first of their four Candu reactors. As expected, the volumes of Low and Intermediate Level Waste (LILW) generated from this large-scale project have been significant. As a result, unique solutions were needed for the safe and efficient transportation of radioactive waste from the Darlington Nuclear Generating Station to OPG's Western Waste Management Facility for volume reduction and interim storage. OPG's Nuclear Waste Management Division and the Darlington Refurbishment Project worked together to identify unique radioactive waste transportation solutions. These solutions included staging and temporary storage facilities, new waste containers and specialized transportation packages, additional human resources and enhanced planning and logistics required to transport large volumes of routine and non-routine radioactive waste in a manner that minimized the impact on employee and public safety, project schedule and project costs. From a facilities perspective a shielded 'Marshalling Area' that allowed for loaded transportation packages to be staged was built on the Darlington site and a temporary licensed off-site radioactive waste storage facility close to the DNGS was contracted through a third party vendor. These two facilities allowed for more consistent and efficient schedules that limited radioactive waste shipments during off-hours and avoided peak traffic periods thereby limiting the risk to Refurbishment critical path activities. Special purpose-built transportation packages and waste containers were designed and fabricated to handle unique waste streams such as feeder pipes and other miscellaneous intermediate level waste items associated with reactor dismantling. Twenty-four Type A qualified transportation packages mounted to six flat deck trailers were designed and fabricated to support the shipment of contaminated feeder pipes. An Intermediate Level Waste Utility Container (ILWUC) to be used in conjunction with the Type B qualified Trillium Transportation Package was designed and fabricated to handle unique intermediate level waste streams arising from the reactor dismantling process. Logistics software was used to plan the shipments to ensure waste transportation packages could be loaded, transported, unloaded and returned safely to the project site in a timely manner without impacting project schedules. Several shipping scenarios were simulated and adjusted using the software to ensure that the most efficient use of equipment and resources for the radioactive waste transportation aspects of the project. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Geographic Information System Based Emergency Response Training Assessments for DOE Radioactive Materials Transport - 20027

Safety and security are priorities of U.S. Department of Energy (DOE) radioactive materials shipping campaigns. In the more than 70-year history of domestic transport of spent nuclear fuel (SNF), there has never been a transportation-related radiological injury. To support transportation planning, among the tools that DOE uses is the Stakeholder Tool for Assessing Radioactive Transportation (START). START contains geospatial data and transportation route analyses capabilities designed to support a range of DOE transportation planning initiatives. One of those functions is the capability to support emergency response planning and training for State and Tribal jurisdictions located on routes used for DOE shipments of radioactive materials. As part of the Department's commitment to public safety, DOE provides federally-funded radiological response training to emergency responders along DOE radioactive materials transportation corridors through its Transportation Emergency Preparedness Program (TEPP). START contains spatial data representing the locations and emergency-response capabilities of fire departments, police, hospitals, State emergency response centers, and where TEPP-trained personnel are based. The START tool supports State and Tribal users' ability to evaluate emergency-response coverage on active and potential DOE radioactive materials transport routes through their jurisdictions, provide expected response times to reach the scene of an incident, identify equipment available to support a response, and identify the number of response personnel and their respective training levels. In addition, START can be used to identify gaps in coverage along a transportation corridor where additional radiological emergency response training may be needed. This paper describes the data, features, and functionality DOE uses to provide a resource for emergency response training needs assessments for States and Tribes along active and potential routes for transporting radioactive materials, and illustrates its use. It also discusses future plans to integrate TEPP and Federal Emergency Management Agency (FEMA) radiological training data to provide a more comprehensive source of geospatial information on personnel who have received equivalent radiological response training. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

A Comprehensive Analysis of Ontogeny of Renal Drug Transporters: mRNA Analyses, Quantitative Proteomics, and Localization

Human renal membrane transporters play key roles in the disposition of renally cleared drugs and endogenous substrates, but their ontogeny is largely unknown. Using 184 human postmortem frozen renal cortical tissues (preterm newborns to adults) and a subset of 62 tissue samples, we measured the mRNA levels of 11 renal transporters and the transcription factor pregnane X receptor (PXR) with quantitative real‐time polymerase chain reaction, and protein abundance of nine transporters using liquid chromatography tandem mass spectrometry selective reaction monitoring, respectively. Expression levels of p‐glycoprotein, urate transporter 1, organic anion transporter 1, organic anion transporter 3, and organic cation transporter 2 increased with age. Protein levels of multidrug and toxin extrusion transporter 2‐K and breast cancer resistance protein showed no difference from newborns to adults, despite age‐related changes in mRNA expression. Multidrug and toxin extrusion transporter 1, glucose transporter 2, multidrug resistance‐associated protein 2, multidrug resistance‐associated protein 4 (MRP4), and PXR expression levels were stable. Using immunohistochemistry, we found that MRP4 localization in pediatric samples was similar to that in adult samples. Collectively, our study revealed that renal drug transporters exhibited different rates and patterns of maturation, suggesting that renal handling of substrates may change with age.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2017

Sustainable transportation according to certification systems: A viability analysis based on neighborhood size and context relevance

Urban sustainability certification (USC) systems comprehensively assess and benchmark the sustainability of neighborhoods, communities, etc. However, it is important to understand what USCs mean by neighborhoods and communities in terms of definition and their certified developments' size. This study focuses on sustainable transportation and its measures in USCs in order to discern: how relevant are these measures to the varied local conditions, especially in developing countries? And whether they can generate palpable benefits vis-à-vis the certified developments' site areas. Taking descriptive analysis methods, this study focuses on four prominent USCs, namely, LEED for Neighborhood Development, BREEAM Communities, CASBEE for Urban Development, and The Pearl Community Rating System. The four USCs prescribed multiple measures for sustainable transportation, particularly in favor of active transportation and public transportation. However, the relatively small size of their citified developments and the varying transportation conditions among different contexts attenuate the viability and relevance of the advocated measures for both modes. In order to yield more benefits, USCs should underscore the integrative nature of neighborhoods and communities, and transportation within their prescribed criteria and measures. Moreover, sustainable transportation as a theme should be tailored to the local conditions rather than being adopted or adapted from global USCs. - Highlights: • Transportation measures in four prominent certification systems were investigated. • Most certified neighborhoods, communities and developments have small site areas. • Certifications are insensitive to realities of transport in developing countries. • Benefits from advocating active transport only within certified areas are minimal. • Certifications devalue the integrative nature of neighborhoods and transportation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Assessment of ABCG2-mediated transport of pesticides across the rabbit placenta barrier using a novel MDCKII in vitro model

In humans, the ATP-binding cassette efflux transporter ABCG2 contributes to the fetoprotective barrier function of the placenta, potentially limiting the toxicity of transporter substrates to the fetus. During testing of chemicals including pesticides, developmental toxicity studies are performed in rabbit. Despite its toxicological relevance, ABCG2-mediated transport of pesticides in rabbit placenta has not been yet elucidated. We therefore generated polarized MDCK II cells expressing the ABCG2 transporter from rabbit placenta (rbABCG2) and evaluated interaction of the efflux transporter with selected insecticides, fungicides, and herbicides. The Hoechst H33342 accumulation assay indicated that 13 widely used pesticidal active substances including azoxystrobin, carbendazim, chlorpyrifos, chlormequat, diflufenican, dimethoate, dimethomorph, dithianon, ioxynil, methiocarb, propamocarb, rimsulfuron and toclofos-methyl may be rbABCG2 inhibitors and/or substrates. No such evidence was obtained for chlorpyrifos-methyl, epoxiconazole, glyphosate, imazalil and thiacloprid. Moreover, chlorpyrifos (CPF), dimethomorph, tolclofos-methyl and rimsulfuron showed concentration-dependent inhibition of H33342 excretion in rbABCG2-transduced MDCKII cells. To further evaluate the role of rbABCG2 in pesticide transport across the placenta barrier, we generated polarized MDCKII-rbABCG2 monolayers. Confocal microscopy confirmed correct localization of rbABCG2 protein in the apical plasma membrane. In transepithelial flux studies, we showed the time-dependent preferential basolateral to apical (B > A) directed transport of [{sup 14}C] CPF across polarized MDCKII-rbABCG2 monolayers which was significantly inhibited by the ABCG2 inhibitor fumitremorgin C (FTC). Using this novel in vitro cell culture model, we altogether showed functional secretory activity of the ABCG2 transporter from rabbit placenta and identified several pesticides like the insecticide CPF as potential rbABCG2 substrates. - Highlights: • Generation of MDCKII-rbABCG2 monolayers with epithelial barrier function • Detection of rbABCG2 in the apical plasma membrane of polarized MDCKII cells • Several pesticides interact with the ABCG2 transporter from rabbit placenta. • rbABCG2 mediates transport of the insecticide chlorpyrifos. • MDCKII-rbABCG2 cells are a suitable model to study transport in rabbit placenta.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2016

First-principles calculations of thermal, electrical, and thermoelectric transport properties of semiconductors

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). An understanding of the transport details can lead to material designs with better performances. In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials (such as band structure and phonon dispersion) accurately. Accordingly, methods have been developed to calculate the transport properties based on an ab initio approach. We focus on the thermal, electrical, and thermoelectric transport properties of semiconductors, which represent the basic transport characteristics of the two degrees of freedom in solids—electronic and lattice degrees of freedom. Starting from the coupled electron-phonon Boltzmann transport equations, we illustrate different scattering mechanisms that change the transport features and review the first-principles approaches that solve the transport equations. We then present the first-principles results on the thermal and electrical transport properties of semiconductors. The discussions are grouped based on different scattering mechanisms including phonon-phonon scattering, phonon scattering by equilibrium electrons, carrier scattering by equilibrium phonons, carrier scattering by polar optical phonons, scatterings due to impurities, alloying and doping, and the phonon drag effect. We show how the first-principles methods allow one to investigate transport properties with unprecedented detail and also offer new insights into the electron and phonon transport. The current status of the simulation is mentioned when appropriate and some of the future directions are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2022

Modeling of deuterium and carbon radiation transport in MAST-U tokamak advanced divertors

Modest effects of deuterium and carbon radiation opacity in the Super-X and snowflake divertor plasmas are predicted for MAST Upgrade tokamak with core plasma input power 2.5–5 MW and plasma current 1 MA. The radiation transport modeling is based on the SOLPS-EIRENE and UEDGE code divertor plasma predictions. Two radiation transport models are used: one is based on a full radiation transport equation implemented in the radiation transport and collisional-radiative code CRETIN (without feedback on the background plasma), and another is an internal self-consistent UEDGE model with ionization, recombination, and heating rates corrected for Ly α line trapping based on the escape probability model implemented in CRETIN. In MAST-U, the Super-X and snowflake divertor plasmas are predicted to reach detached regimes at lower upstream densities than the standard divertor, and the conclusion still holds with radiation transport effects included. At neutral densities m -3 , modest Ly α deuterium line trapping with optical depths 10–15 is predicted in the Super-X divertor. Divertor plasmas are optically thin to other Lyman and Balmer lines, as well as to strong C III and C IV lines that are responsible for most of divertor radiated power. Insignificant changes (within a few percent) to divertor deuterium ionization and recombination rates are found. Radiation fluxes on outer divertor target are modified within a factor of 2–3 when the radiation transport is accounted for, and a similar variation is found due to the line shape models that define the absorption and emission line profiles in the radiation transport modeling. The predicted Lyman and Balmer spectral intensities are significantly modified due to radiation trapping. A measurement of divertor radiation transport effects is discussed using the Ly β /Ba α line ratio. In the snowflake divertor configuration, divertor plasmas are found to be optically thin to Lyman series lines within a large range of parameter variations that include upstream density, divertor transport coefficients, and magnetic configurations. Finally, modest radiation transport effects are only found in a few cases with strongest divertor transport and magnetic configurations closest to the ideal snowflake configuration, however, the plasma background models that were used are yet to be validated with an experiment.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2012

Modeling Radionuclide Transport in Clays

Clay/shale has been considered as potential host rock for geological disposal of high-level nuclear waste throughout the world, because of its low permeability, low diffusion coefficient, high retention capacity for radionuclides, and capability to self-seal fractures induced by tunnel excavation. For example, Callovo-Oxfordian argillites at the Bure site, France (Fouche et al., 2004), Toarcian argillites at the Tournemire site, France (Patriarche et al., 2004), Opalinus Clay at the Mont Terri site, Switzerland (Meier et al., 2000), and Boom clay at the Mol site, Belgium (Barnichon and Volckaert, 2003) have all been under intensive scientific investigation (at both field and laboratory scales) for understanding a variety of rock properties and their relationships to flow and transport processes associated with geological disposal of nuclear waste. Clay/shale formations may be generally classified as indurated or plastic clays (Tsang and Hudson, 2010). The latter (including Boom clay) is a softer material without high cohesion; its deformation is dominantly plastic. During the lifespan of a clay repository, the repository performance is affected by complex thermal, hydrogeological, mechanical, chemical (THMC) processes, such as heat release due to radionuclide decay, multiphase flow, formation of damage zones, radionuclide transport, waste dissolution, and chemical reactions. All these processes are related to each other. An in-depth understanding of these coupled processes is critical for the performance assessment (PA) of the repository. These coupled processes may affect radionuclide transport by changing transport paths (e.g., formation and evolution of excavation damaged zone (EDZ)) and altering flow, mineral, and mechanical properties that are related to radionuclide transport. While radionuclide transport in clay formation has been studied using laboratory tests (e,g, Appelo et al. 2010, Garcia-Gutierrez et al., 2008, Maes et al., 2008), short-term field tests (e.g. Garcia-Gutierrez et al. 2006, Soler et al. 2008, van Loon et al. 2004, Wu et al. 2009) and numerical modeling (de Windt et al. 2003; 2006), the effects of THMC processes on radionuclide transport are not fully investigated. The objectives of the research activity documented in this report are to improve a modeling capability for coupled THMC processes and to use it to evaluate the THMC impacts on radionuclide transport. This research activity addresses several key Features, Events and Processes (FEPs), including FEP 2.2.08, Hydrologic Processes, FEP 2.2.07, Mechanical Processes and FEP 2.2.09, Chemical Process— Transport, by studying near-field coupled THMC processes in clay/shale repositories and their impacts on radionuclide transport. This report documents the progress that has been made in FY12. Section 2 discusses the development of THMC modeling capability. Section 3 reports modeling results of THMC impacts on radionuclide transport. Planned work for the remaining months of FY12 and proposed work for FY13 are presented in Section 4.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1975

Theoretical monochromatic-wave-induced currents in intermediate water with viscosity and nonzero mass transport

Wave-induced mass-transport current theories with both zero and nonzero net mass (or volume) transport of the water column are reviewed. A relationship based on the Longuet-Higgens theory is derived for wave-induced, nonzero mass-transport currents in intermediate water depths for a viscous fluid. The relationship is in a form useful for experimental applications; therefore, some design criteria for experimental wave-tank tests are also presented. Sample parametric cases for typical wave-tank conditions and a typical ocean swell were assessed by using the relation in conjunction with an equation developed by Unluata and Mei for the maximum wave-induced volume transport. Calculations indicate that substantial changes in the wave-induced mass-transport current profiles may exist dependent upon the assumed net volume transport. A maximum volume transport, corresponding to an infinite channel or idealized ocean condition, produces the largest wave-induced mass-transport currents. These calculations suggest that wave-induced mass-transport currents may have considerable effects on pollution and suspended-sediments transport as well as buoy drift, the surface and midlayer water-column currents caused by waves increasing with increasing net volume transports. Some of these effects are discussed.

Talay, T. A.↗

NASA NTRS2004

Transportation Network Topologies

A discomforting reality has materialized on the transportation scene: our existing air and ground infrastructures will not scale to meet our nation's 21st century demands and expectations for mobility, commerce, safety, and security. The consequence of inaction is diminished quality of life and economic opportunity in the 21st century. Clearly, new thinking is required for transportation that can scale to meet to the realities of a networked, knowledge-based economy in which the value of time is a new coin of the realm. This paper proposes a framework, or topology, for thinking about the problem of scalability of the system of networks that comprise the aviation system. This framework highlights the role of integrated communication-navigation-surveillance systems in enabling scalability of future air transportation networks. Scalability, in this vein, is a goal of the recently formed Joint Planning and Development Office for the Next Generation Air Transportation System. New foundations for 21PstP thinking about air transportation are underpinned by several technological developments in the traditional aircraft disciplines as well as in communication, navigation, surveillance and information systems. Complexity science and modern network theory give rise to one of the technological developments of importance. Scale-free (i.e., scalable) networks represent a promising concept space for modeling airspace system architectures, and for assessing network performance in terms of scalability, efficiency, robustness, resilience, and other metrics. The paper offers an air transportation system topology as framework for transportation system innovation. Successful outcomes of innovation in air transportation could lay the foundations for new paradigms for aircraft and their operating capabilities, air transportation system architectures, and airspace architectures and procedural concepts. The topology proposed considers air transportation as a system of networks, within which strategies for scalability of the topology may be enabled by technologies and policies. In particular, the effects of scalable ICNS concepts are evaluated within this proposed topology. Alternative business models are appearing on the scene as the old centralized hub-and-spoke model reaches the limits of its scalability. These models include growth of point-to-point scheduled air transportation service (e.g., the RJ phenomenon and the 'Southwest Effect'). Another is a new business model for on-demand, widely distributed, air mobility in jet taxi services. The new businesses forming around this vision are targeting personal air mobility to virtually any of the thousands of origins and destinations throughout suburban, rural, and remote communities and regions. Such advancement in air mobility has many implications for requirements for airports, airspace, and consumers. These new paradigms could support scalable alternatives for the expansion of future air mobility to more consumers in more places.

Holmes, Bruce J.↗

NASA NTRS2004

Transportation Network Topologies

A discomforting reality has materialized on the transportation scene: our existing air and ground infrastructures will not scale to meet our nation's 21st century demands and expectations for mobility, commerce, safety, and security. The consequence of inaction is diminished quality of life and economic opportunity in the 21st century. Clearly, new thinking is required for transportation that can scale to meet to the realities of a networked, knowledge-based economy in which the value of time is a new coin of the realm. This paper proposes a framework, or topology, for thinking about the problem of scalability of the system of networks that comprise the aviation system. This framework highlights the role of integrated communication-navigation-surveillance systems in enabling scalability of future air transportation networks. Scalability, in this vein, is a goal of the recently formed Joint Planning and Development Office for the Next Generation Air Transportation System. New foundations for 21st thinking about air transportation are underpinned by several technological developments in the traditional aircraft disciplines as well as in communication, navigation, surveillance and information systems. Complexity science and modern network theory give rise to one of the technological developments of importance. Scale-free (i.e., scalable) networks represent a promising concept space for modeling airspace system architectures, and for assessing network performance in terms of scalability, efficiency, robustness, resilience, and other metrics. The paper offers an air transportation system topology as framework for transportation system innovation. Successful outcomes of innovation in air transportation could lay the foundations for new paradigms for aircraft and their operating capabilities, air transportation system architectures, and airspace architectures and procedural concepts. The topology proposed considers air transportation as a system of networks, within which strategies for scalability of the topology may be enabled by technologies and policies. In particular, the effects of scalable ICNS concepts are evaluated within this proposed topology. Alternative business models are appearing on the scene as the old centralized hub-and-spoke model reaches the limits of its scalability. These models include growth of point-to-point scheduled air transportation service (e.g., the RJ phenomenon and the Southwest Effect). Another is a new business model for on-demand, widely distributed, air mobility in jet taxi services. The new businesses forming around this vision are targeting personal air mobility to virtually any of the thousands of origins and destinations throughout suburban, rural, and remote communities and regions. Such advancement in air mobility has many implications for requirements for airports, airspace, and consumers. These new paradigms could support scalable alternatives for the expansion of future air mobility to more consumers in more places.

Holmes, Bruce J.↗

NASA NTRS2011

A Deterministic Electron, Photon, Proton and Heavy Ion Radiation Transport Suite for the Study of the Jovian System

A deterministic suite of radiation transport codes, developed at NASA Langley Research Center (LaRC), which describe the transport of electrons, photons, protons, and heavy ions in condensed media is used to simulate exposures from spectral distributions typical of electrons, protons and carbon-oxygen-sulfur (C-O-S) trapped heavy ions in the Jovian radiation environment. The particle transport suite consists of a coupled electron and photon deterministic transport algorithm (CEPTRN) and a coupled light particle and heavy ion deterministic transport algorithm (HZETRN). The primary purpose for the development of the transport suite is to provide a means for the spacecraft design community to rapidly perform numerous repetitive calculations essential for electron, proton and heavy ion radiation exposure assessments in complex space structures. In this paper, the radiation environment of the Galilean satellite Europa is used as a representative boundary condition to show the capabilities of the transport suite. While the transport suite can directly access the output electron spectra of the Jovian environment as generated by the Jet Propulsion Laboratory (JPL) Galileo Interim Radiation Electron (GIRE) model of 2003; for the sake of relevance to the upcoming Europa Jupiter System Mission (EJSM), the 105 days at Europa mission fluence energy spectra provided by JPL is used to produce the corresponding dose-depth curve in silicon behind an aluminum shield of 100 mils ( 0.7 g/sq cm). The transport suite can also accept ray-traced thickness files from a computer-aided design (CAD) package and calculate the total ionizing dose (TID) at a specific target point. In that regard, using a low-fidelity CAD model of the Galileo probe, the transport suite was verified by comparing with Monte Carlo (MC) simulations for orbits JOI--J35 of the Galileo extended mission (1996-2001). For the upcoming EJSM mission with a potential launch date of 2020, the transport suite is used to compute the traditional aluminum-silicon dose-depth calculation as a standard shield-target combination output, as well as the shielding response of high charge (Z) shields such as tantalum (Ta). Finally, a shield optimization algorithm is used to guide the instrument designer with the choice of graded-Z shield analysis.

Norman, Ryan B.↗

DOE OSTI2020

Phaseolus vulgaris SUT1.1 is a high affinity sucrose–proton co–transporter

Plant sucrose transporters are required for phloem loading, and therefore are essential for plant growth and development. In common beans (Phaseolus vulgaris) there are only two sucrose transporters functionally characterized. Through a previous RNA-seq study, we identified a putative sucrose transporter in common bean, which we hypothesize to function in import of sucrose into plant cells. In silico analysis revealed that PvSUT1.1 is a putative sucrose-proton co-transporter distinct from other characterized sucrose transporters in common bean indicating that this is a previously undescribed transporter protein in beans. Further analysis revealed that PvSUT1.1 shares high protein sequence homology to the phloem loader Arabidopsis SUC2; both have 12 transmembrane domains, a typical characteristic of plant sucrose transporters. Heterologous expression in yeast further showed PvSUT1.1 to be functional and it imported sucrose into yeast cells with a K m of 0.7 mM sucrose. Import of sucrose through PvSUT1.1 is also pH-dependent with highest uptake at pH 4.0, and activity is lost in the presence of the uncoupler carbonyl cyanide 3-chlorophenylhydrazone. Consistent with identification of PvSUT1.1 as a Type I transporter, PvSUT1.1 also transports esculin. Finally, PvSUT1.1 showed expression in multiple tissues and the protein was localized to the plasma membrane. The results show that PvSUT1.1 is a sucrose transporter that is probably involved in the uptake of sucrose into source and sink cells. The potential role of PvSUT1.1 in leaf phloem loading of sucrose in common beans and its importance in heat tolerance of reproductive tissues are further discussed.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2010

Gyrokinetic simulations of mesoscale energetic particle-driven Alfvenic turbulent transport embedded in microturbulence

Energetic particle (EP) transport from local high-n toroidal Alfven eigenmodes (TAEs) and energetic particle modes (EPMs) is simulated with a gyrokinetic code. Linear and nonlinear simulations have identified a parameter range where the longwave TAE and EPM are unstable alongside the well-known ion-temperature-gradient (ITG) and trapped-electron-mode (TEM) instabilities. A new eigenvalue solver in GYRO facilitates this mode identification. States of nonlinearly saturated local TAE/EPM turbulent intensity are identified, showing a 'soft' transport threshold for enhanced energetic particle transport against the TAE/EPM drive from the EP pressure gradient. The very long-wavelength (mesoscale) TAE/EPM transport is saturated partially by nonlinear interaction with microturbulent ITG/TEM-driven zonal flows. Fixed-gradient-length, nonlinearly saturated states are accessible over a relatively narrow range of EP pressure gradient. Within this range, and in the local limit employed, TAE/EPM-driven transport more closely resembles drift-wave microturbulent transport than 'stiff' ideal MHD transport with a clamped critical total pressure gradient. At a higher, critical EP pressure gradient, fixed-gradient nonlinear saturation fails: EP transport increases without limit and background transport decreases. Presumably saturation is then obtained by relaxation of the EP pressure gradient to near this critical EP pressure gradient. If the background plasma gradients driving the ITG/TEM turbulence and zonal flows are weakened, the critical gradient collapses to the TAE/EPM linear stability threshold. Even at the critical EP pressure gradient there is no evidence that TAE/EPM instability significantly increases transport in the background plasma channels.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Mesoscopic modeling of transport resistances in a polymer-electrolyte fuel-cell catalyst layer: Analysis of hydrogen limiting currents

Understanding transport resistances in a polymer-electrolyte fuel cell (PEFC) catalyst layer (CL) is essential to mitigate the unexpected voltage loss when using low loadings of precious metals. In this paper, we explore through mesoscopic modeling the quantification analyses of the transport resistances in CL as derived using hydrogen-pump limiting current. Numerical treatments on the conjugated interfacial conditions at interfaces of ionomer/pore and Pt/ionomer are proposed to describe the mesoscopic transport processes of hydrogen and proton. Characterizations of the reconstructed microstructure of CL are performed. Parameter analyses on the influences of the critical transport properties such as the permeation coefficient and the dissolution and adsorption reaction rates at the surfaces of ionomer/pore and Pt/ionomer on the local transport resistance are presented. It is found that the local transport resistance is mainly originated from the diffusion resistance of the ionomer thin-film, which is more resistive than its bulk analogue with its permeation coefficient fitted to be 5.9% of the bulk one. The interfacial transport resistances and the diffusion resistance are coupled. The local transport resistance increases with I/C ratio due to thicker ionomer coated on the particles. Higher Pt/C ratio and bare carbon fraction lead to higher local transport resistance since the ionomer loading relative to Pt roughness factor decreases. The local transport resistance decreases with the porosity. Furthermore, the contribution of pores to the CL resistance, which decreases with the porosity, is comparatively small at low loadings.

25 ENERGY STORAGE↗

DOE OSTI2024

Water transport through monolayer fullerene membrane

Water transport through nanoporous materials is important in water treatment, desalination, and nanofiltration. Two-dimensional (2D) membranes such as porous graphene have been explored for high-permeance water transport. However, water transport through a new class of 2D membranes based on two-dimensional covalently linked fullerene monolayers has not been fully explored. Here we use classical molecular dynamics simulations to investigate both vapor and liquid water transport through a monolayer fullerene membrane. We find that a quasi-tetragonal phase fullerene membrane possesses the right pore size and geometry that allows fast water vapor transport (∼ 50 g m −2 day −1 Pa −1 ) and water liquid transport (∼ 2.0 g m −2 day −1 Pa −1 ). Furthermore, simulation of sea water transport through the fullerene membrane shows 100 % salt rejection. The much faster vapor transport rate is attributed to the funnel-shaped pore and the optimal size that allows free rotation of water molecules permeating through, while the slower liquid transport is due to the need to desolvate a water molecule to break its hydrogen-bond network across the hydrophobic pore. This work shows the great potential of using monolayer fullerene membranes as 2D membranes for fast and selective water transport.

Desalination↗

DOE OSTI2012

A method for evaluating transport energy consumption in suburban areas

Urban sprawl is a major issue for sustainable development. It represents a significant contribution to energy consumption of a territory especially due to transportation requirements. However, transport energy consumption is rarely taken into account when the sustainability of suburban structures is studied. In this context, the paper presents a method to estimate transport energy consumption in residential suburban areas. The study aimed, on this basis, at highlighting the most efficient strategies needed to promote awareness and to give practical hints on how to reduce transport energy consumption linked to urban sprawl in existing and future suburban neighborhoods. The method uses data collected by using empirical surveys and GIS. An application of this method is presented concerning the comparison of four suburban districts located in Belgium to demonstrate the advantages of the approach. The influence of several parameters, such as distance to work places and services, use of public transport and performance of the vehicles, are then discussed to allow a range of different development situations to be explored. The results of the case studies highlight that traveled distances, and thus a good mix between activities at the living area scale, are of primordial importance for the energy performance, whereas means of transport used is only of little impact. Improving the performance of the vehicles and favoring home-work give also significant energy savings. The method can be used when planning new areas or retrofitting existing ones, as well as promoting more sustainable lifestyles regarding transport habits. - Highlights: Black-Right-Pointing-Pointer The method allows to assess transport energy consumption in suburban areas and highlight the best strategies to reduce it. Black-Right-Pointing-Pointer Home-to-work travels represent the most important part of calculated transport energy consumption. Black-Right-Pointing-Pointer Energy savings can be achieved by reducing distances to travel through a good mix between activities at the local scale. Black-Right-Pointing-Pointer Means of transport used in only of little impact in the studied suburban neighborhoods. Black-Right-Pointing-Pointer Improving the performance of the vehicles and favoring home-work can significant energy savings.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Analysis of gas storage and transport in Eagle Ford shale using pressure pulse decay measurements with He, Kr and CO 2

Detailed characterization of gas transport and storage in low-permeability and organic-rich shales is associated with an array of challenges due to the complex morphology of the pore space, representing a broad range of pore sizes, combined with the heterogeneous fabric of the shale matrix. These factors, and their interplay during gas transport and sorption, complicate a) the analysis of shale samples at the laboratory scale (~ up to a ft. In length), and b) the prediction of natural gas production and carbon sequestration potential at larger scales. Here, in this work, tandem experiments with inert (helium – He) and adsorbing (krypton - Kr and carbon dioxide - CO 2 ) gases were performed and analyzed to develop an efficient workflow for characterizing and modeling transport and sorption at the laboratory scale. In particular, pressure pulse-decay (PPD) measurements were conducted on an Eagle Ford shale core sample at room temperature using He, Kr, and CO 2 . PPD measurements with He (a non-sorbing gas) were employed to probe the overall porosity, including natural fractures, microcracks, mesopores, and micropores. A triple-porosity model (TPM) was adopted to interpret the gas transport in the shale sample: The pore space is represented by three interacting continua, including macropores (larger fractures), mesopores (including microcracks), and micropores. To facilitate the application of the TPM, a modified analytical approach is introduced to extract effective transport parameters (in terms of the characteristic time for transport at relevant porosity levels) directly from the PPD measurements with He. To validate the modeling approach, model parameters extracted from two He PPD measurements are demonstrated to provide excellent agreement with a 3rd He PPD measurement performed at a higher pressure. The effective transport parameters, extracted from the He experiments, were subsequently converted for application to the Kr and CO 2 PPD experiments, by accounting for relevant transport modes and differences in fluid properties. Excess adsorption isotherms were extracted from the equilibrium pressures of the Kr and CO 2 PPD experiments using the He pore volume as a baseline. These adsorption isotherms were then integrated into the TPM to predict combined gas transport and sorption for Kr and CO 2 , with transport coefficients translated from the He measurements. The predictions for Kr and CO 2 are demonstrated to be in excellent agreement with the experimental observations. This, in turn, demonstrates that the proposed analytical approach provides for an effective characterization of mass transfer rates in shales, that can be applied directly in a TPM representation of mass transfer and sorption.

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