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DOE OSTI2019

Fuel Matrix Degradation Model Development Update: Alloy Corrosion Rates and Hydrogen Generation

This work is being performed as part of the DOE NE Spent Fuel and Waste Science and Technology Campaign, Argillite and Crystalline Rock R&D work packages: SF-19AN01030101 and SF-19AN01030201. This document meets the milestone M4SF-19AN010301013 for Argillite R&D and the milestone M4SF-19AN010302013 for Crystalline R&D. The fuel matrix degradation (FMD) model calculates the degradation rate of spent UO2 fuel based on fundamental electrochemical theory and thermodynamics. The model provides the quantitative basis for radionuclide source term predictions in the generic disposal system analysis (GDSA) performance assessment (PA) model. The FMD model has been implemented in a manner that facilitates its integration with the GDSA-PA code and a preliminary, integrated FMD-GDSA model has been successfully tested (Jerden et al., 2017). The specific focus of on-going work is to accurately and quantitatively represent the generation of H2 in a breached waste package and its effect on the spent fuel degradation rate so that this key process can be accurately represented in PA models. It has been shown experimentally that millimolar concentrations of dissolved H2 in contact with spent fuel will inhibit oxidative dissolution and decrease the fuel degradation rates by as much as three orders of magnitude (e.g., Röllin et al., 2001, Ollila, 2008). This will lead to a significant decrease in the radionuclide source term values used in repository PA models. Sensitivity studies using the FMD model have shown that the dissolved H2 concentration is the dominant environmental variable affecting the UO2 spent fuel dissolution rate as long as a source of H2 persists in the breached waste package (Jerden et al., 2015). Therefore, on-going experimental and modeling efforts focus on H2 production, accumulation and interfacial reactions within a breached waste package. The anoxic corrosion of metallic engineering materials within a breached waste package will be the main source of H2 in crystalline and argillite rock repository systems. The most important H2-producing alloys present within a waste package include stainless steel, carbon steel, and aluminum alloys and the Zircaloy fuel cladding. A steel corrosion module was added to the FMD model to account for these H2 sources and couple the H2 generation rate with fuel degradation processes (Jerden et al., 2017). As discussed below, there is a need for experimental data from electrochemical corrosion tests to quantify the H2 generation rates due to the corrosion of these waste package alloys as a function of key environmental variables (Eh, pH, groundwater chemistry). This report presents results from series of electrochemical corrosion tests with materials present in waste packages that provide information needed to parameterize and validate the FMD model. The alloys tested include 316L stainless steel (316SS), AISI 4320 carbon steel (C-steel) and Zircaloy-4 fuel cladding (unirradiated). Potentiodynamic polarization and potentiostatic polarization tests were performed in buffer solutions at pH 4, 7 and 10 with NaCl concentrations of 0, 4 and 100 millimolar (mM). The potentiostatic tests were performed at voltages varying from 0.5 volts down to -0.66 volts, vs the standard hydrogen electrode (SHE), and all tests were performed at laboratory ambient temperatures (~22 °C). The corrosion rates measured during the electrochemical tests were used as direct input to a new FMD/in-package chemistry model that is being developed to provide accurate long-term spent fuel degradation rates as chemical conditions (Eh, pH, speciation) evolve within a breached waste package. This new model was developed by coupling the FMD model with the reactive transport code X1t, which is a module within the Geochemist’s Workbench (GWB) reaction path modeling code (Jerden et al., 2019). The reactive transport model consists of a 1D domain discretized with 21 reaction diffusion cells and includes a single waste packag

Jerden, James↗

DOE OSTI2023

Numerical investigation and experimental validation of water condensation in the gas diffusion layer with different properties

Liquid water in porous media hinders the transport of reactant to catalyst layer, where the electrochemical reactions occur, which in turn, reduces performance and lifetime of a proton exchange membrane fuel cell (PEMFC). In this study, two types of gas diffusion layer (GDL) materials are used to study the two-phase saturation distribution in a PEMFC. The correlations between the effective and anisotropic transport properties and porosity of the two GDLs are solved by the pore scale model. In addition, the anisotropic liquid water permeability and the relationship between saturation pressure and capillary pressure is determined by using the Lattice-Boltzmann method. Fuel cell performance as well as liquid water distribution in the GDL using neutron radiography are obtained for validation. Under wet conditions, the cell with Freudenberg GDL performs better than that using Toray GDL, especially at high current densities. The results of the two-phase model simulation show that the peak water saturation for Toray GDL occurs in the catalyst layer and can reach 40%, while the peak water saturation for Freudenberg GDL occurs inside the GDL directly under the ribs and only reaches 25% saturation. The combined results provide key insights to enable high power density operation of a PEMFC through GDL material optimization.

42 ENGINEERING↗

DOE OSTI2018

Ecosystem fluxes of carbonyl sulfide in an old-growth forest: temporal dynamics and responses to diffuse radiation and heat waves

Carbonyl sulfide (OCS) has recently emerged as a tracer for terrestrial carbon uptake. While physiological studies relating OCS fluxes to leaf stomatal dynamics have been established at leaf and branch scales and incorporated into global carbon cycle models, the quantity of data from ecosystem-scale field studies remains limited. In this study, we employ established theoretical relationships to infer ecosystem-scale plant OCS uptake from mixing ratio measurements. OCS fluxes showed a pronounced diurnal cycle, with maximum uptake at midday. OCS uptake was found to scale within dependent measurements of CO 2 fluxes over a 60 m tall old-growth forest in the Pacific Northwest of the US (45°49'13.76" N,121 °57'06.88" W) at daily and monthly timescales under mid–high light conditions across the growing season in 2015. OCS fluxes were strongly influenced by the fraction of down welling diffuse light. Finally, we examine the effect of sequential heat waves on fluxes of OCS, CO 2 , and H 2 O. Our results bolster previous evidence that ecosystem OCS uptake is strongly related to stomatal dynamics,and measuring this gas improves constraints on estimating photosynthetic rates at the ecosystem scale.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Experimental and computational study of the microporous layer and hydrophobic treatment in the gas diffusion layer of a proton exchange membrane fuel cell

Enabling fuel cell operation at high current density is critical for developing competitive alternative power system to replace internal combustion engine. However, liquid water management continues to be a challenge for high humidity or high current density operation. Water condensation in the porous media hinders efficient oxygen transport to the catalyst layer, which in turns, reduces fuel cell performance. To improve water management capability, the gas diffusion layer is often impregnated with Polytetrafluoroethylene (PTFE) and coated with a thin microporous layer, which have shown to improve fuel cell performance, especially under wet conditions. However, the fundamental mechanism that drives the performance enhancement is still not well understood. In this work, the effects of PTFE impregnation and MPL were studied using both experimental and computational techniques. Both limiting current and polarization tests under dry and wet operating condition are conducted to study the oxygen transport resistance and fuel cell performance. In addition, a 2-D, two-phase, multi-physics PEMFC model is developed to simulate performance and gain a fundamental understanding of local water saturation and oxygen concentration. The combined results show that 5 wt% PTFE impregnation with MPL significantly enhances liquid water management, which enables higher current density operation of a fuel cell.

25 ENERGY STORAGE↗

DOE OSTI2018

27 Al Pulsed Field Gradient, Diffusion–NMR Spectroscopy of Solvation Dynamics and Ion Pairing in Alkaline Aluminate Solutions

Here, pulsed field gradient nuclear magnetic resonance (PFG-NMR) measurements were successfully applied to the 27 Al (I = 5/2) nucleus in concentrated electrolytes to investigate the diffusion of aluminate ions [Al(OH) 4 – ] in simulant high-level nuclear waste (3 M NaOH) between 25 and 85 °C. The temperature-dependent diffusion coefficients obtained from 1 H, 23 Na, and 27 Al PFG-NMR were well fit by a Vogel–Fulcher–Tammann model and a power law equation. Comparison of 27 Al diffusion coefficients of 0.1 M Al(OH) 4 – in ~3 M MOH (where M = Na + , K + , (CH 3 ) 4 N + ) at room temperature varied in agreement with the expected changes in solution viscosity via Stokes–Einstein relationship, confirming that the dominant Al species at these conditions are Al(OH) 4 – monomers. This 27 Al PFG-NMR study extends an established methodology to a previously unexplored nucleus enabling this experimental technique to be leverage for exploring ion transport, speciation, and solution structure in concentrated electrolytes.

Diffusion↗

DOE OSTI2018

Concussion, microvascular injury, and early tauopathy in young athletes after impact head injury and an impact concussion mouse model

The mechanisms underpinning concussion, traumatic brain injury, and chronic traumatic encephalopathy, and the relationships between these disorders, are poorly understood. We examined post-mortem brains from teenage athletes in the acute-subacute period after mild closed-head impact injury and found astrocytosis, myelinated axonopathy, microvascular injury, perivascular neuroinflammation, and phosphorylated tau protein pathology. To investigate causal mechanisms, we developed a mouse model of lateral closed-head impact injury that uses momentum transfer to induce traumatic head acceleration. Unanaesthetized mice subjected to unilateral impact exhibited abrupt onset, transient course, and rapid resolution of a concussion-like syndrome characterized by altered arousal, contralateral hemiparesis, truncal ataxia, locomotor and balance impairments, and neurobehavioural deficits. Experimental impact injury was associated with axonopathy, blood–brain barrier disruption, astrocytosis, microgliosis (with activation of triggering receptor expressed on myeloid cells, TREM2), monocyte infiltration, and phosphorylated tauopathy in cerebral cortex ipsilateral and subjacent to impact. Phosphorylated tauopathy was detected in ipsilateral axons by 24 h, bilateral axons and soma by 2 weeks, and distant cortex bilaterally at 5.5 months post-injury. Impact pathologies co-localized with serum albumin extravasation in the brain that was diagnostically detectable in living mice by dynamic contrast-enhanced MRI. These pathologies were also accompanied by early, persistent, and bilateral impairment in axonal conduction velocity in the hippocampus and defective long-term potentiation of synaptic neurotransmission in the medial prefrontal cortex, brain regions distant from acute brain injury. Surprisingly, acute neurobehavioural deficits at the time of injury did not correlate with blood–brain barrier disruption, microgliosis, neuroinflammation, phosphorylated tauopathy, or electrophysiological dysfunction. Furthermore, concussion-like deficits were observed after impact injury, but not after blast exposure under experimental conditions matched for head kinematics. Computational modelling showed that impact injury generated focal point loading on the head and seven-fold greater peak shear stress in the brain compared to blast exposure. Moreover, intracerebral shear stress peaked before onset of gross head motion. By comparison, blast induced distributed force loading on the head and diffuse, lower magnitude shear stress in the brain. We conclude that force loading mechanics at the time of injury shape acute neurobehavioural responses, structural brain damage, and neuropathological sequelae triggered by neurotrauma. These results indicate that closed-head impact injuries, independent of concussive signs, can induce traumatic brain injury as well as early pathologies and functional sequelae associated with chronic traumatic encephalopathy. These results also shed light on the origins of concussion and relationship to traumatic brain injury and its aftermath.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2018

Theoretical and experimental investigation of the equation of state of boron plasmas

We report a theoretical equation of state (EOS) table for boron across a wide range of temperatures (5.1 10 4 {5.2 10 8 K) and densities (0.25{49 g/cm 3 ), and experimental shock Hugoniot data at unprecedented high pressures (5608 118 GPa). The calculations are performed with first-principles methods combining path integral Monte Carlo (PIMC) at high temperatures and density functional theory molecular dynamics (DFT-MD) methods at lower temperatures. PIMC and DFT-MD cross-validate each other by providing coherent EOS (difference <1.5 Hartree/boron in energy and <5% in pressure) at 5.1 10 5 K. The Hugoniot measurement is conducted at the National Ignition Facility using a planar shock platform. The pressure-density relation found in our shock experiment is on top of the shock Hugoniot profile predicted with our first-principles EOS and a semi-empirical EOS table (LEOS 50). We investigate the self diffusivity and the effect of thermal and pressure-driven ionization on the EOS and shock compression behavior in high pressure and temperature conditions. We also study the sensitivity of a polar direct-drive exploding pusher platform to pressure variations based on applying pressure multipliers to LEOS 50 and by utilizing a new EOS model based on our ab initio simulations via 1D radiation-hydrodynamic calculations. The results are valuable for future theoretical and experimental studies and engineering design in high energy density research.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Utilizing Highly Scattered Light for Intelligence through Aerosols

This communication is the final report for the project Utilizing Highly Scattered Light for Intelligence through Aerosols funded by the Laboratory Directed Research and Development (LDRD) program at Sandia National Laboratories and lasting six months in 2019. Aerosols like fog reduce visibility and cause down-time that for critical systems or operations are unacceptable. Information is lost due to the random scattering and absorption of light by tiny particles. Computational diffuse optical imaging methods show promise for interpreting the light transmitted through fog, enabling sensing and imaging to improve situational awareness at depths 10 times greater than current methods. Developing this capability first requires verification and validation of diffusion models of light propagation in fog. For this reason, analytical models were developed and compared to experimental data captured at the Sandia National Laboratory Fog Chamber facility. A methodology was developed to incorporate the propagation of scattered light through the imaging optics to a pixel array. The diffusion approximation to the radiative transfer equation was found to predict light propagation in fog under the appropriate conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Microstructure-Based Degradation Modeling in Solid Oxide Cells

The presentation is intended for a graduate class in Georgia Southern University taught by Dr. Hayri Sezer on electrochemistry, SOFC and Li ion battery. It summaries NETL's recent works on microstructure-based modeling of degradation in solid oxide cells. It covers the degradation mechanism of Ni coarsening, Ni migration and the build-up of oxygen partial pressure inside the electrolyte. The phase-field models developed for Ni coarsening and migration are reviewed and the results are compared to experiments in literature to examine different diffusion mechanisms (Ni self-diffusion, Ni(OH)2 diffusion in pores and Ni(OH) surface diffusion) and driving forces (Ni(OH)x concentration and Ni-YSZ contact angle change). It also demonstrates the developed model for oxygen partial pressure and shows that the predicted oxygen partial pressure can explain the Ni oxidation in the hydrogen electrode and crack growth on the electrolyte-oxygen electrode interface under certain operating conditions.

nickel coarsening↗

DOE OSTI2016

Kinetics and mechanisms of the acid-base reaction between NH{sub 3} and HCOOH in interstellar ice analogs

Interstellar complex organic molecules are commonly observed during star formation, and are proposed to form through radical chemistry in icy grain mantles. Reactions between ions and neutral molecules in ices may provide an alternative cold channel to complexity, as ion-neutral reactions are thought to have low or even no-energy barriers. Here we present a study of the kinetics and mechanisms of a potential ion-generating, acid-base reaction between NH{sub 3} and HCOOH to form the salt NH{sub 4}{sup +}HCOO{sup −}. We observe salt growth at temperatures as low as 15 K, indicating that this reaction is feasible in cold environments. The kinetics of salt growth are best fit by a two-step model involving a slow “pre-reaction” step followed by a fast reaction step. The reaction energy barrier is determined to be 70 ± 30 K with a pre-exponential factor 1.4 ± 0.4 × 10{sup −3} s{sup −1}. The pre-reaction rate varies under different experimental conditions and likely represents a combination of diffusion and orientation of reactant molecules. For a diffusion-limited case, the pre-reaction barrier is 770 ± 110 K with a pre-exponential factor of ∼7.6 × 10{sup −3} s{sup −1}. Acid-base chemistry of common ice constituents is thus a potential cold pathway to generating ions in interstellar ices.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Probabilistic estimation of depth-resolved profiles of soil thermal diffusivity from temperature time series

Abstract. Improving the quantification of soil thermal and physical properties is key to achieving a better understanding and prediction of soil hydro-biogeochemical processes and their responses to changes in atmospheric forcing. Obtaining such information at numerous locations and/or over time with conventional soil sampling is challenging. The increasing availability of low-cost, vertically resolved temperature sensor arrays offers promise for improving the estimation of soil thermal properties from temperature time series, and the possible indirect estimation of physical properties. Still, the reliability and limitations of such an approach need to be assessed. In the present study, we develop a parameter estimation approach based on a combination of thermal modeling, sliding time windows, Bayesian inference, and Markov chain Monte Carlo simulation to estimate thermal diffusivity and its uncertainty over time, at numerous locations and at an unprecedented vertical spatial resolution (i.e., down to 5 to 10 cm vertical resolution) from soil temperature time series. We provide the necessary framework to assess under which environmental conditions (soil temperature gradient, fluctuations, and trend), temperature sensor characteristics (bias and level of noise), and deployment geometries (sensor number and position) soil thermal diffusivity can be reliably inferred. We validate the method with synthetic experiments and field studies. The synthetic experiments show that in the presence of median diurnal fluctuations ≥ 1.5 ∘C at 5 cm below the ground surface, temperature gradients > 2 ∘C m−1, and a sliding time window of at least 4 d the proposed method provides reliable depth-resolved thermal diffusivity estimates with percentage errors ≤ 10 % and posterior relative standard deviations ≤ 5 % up to 1 m depth. Reliable thermal diffusivity under such environmental conditions also requires temperature sensors to be spaced precisely (with accuracy to a few millimeters), with a level of noise ≤ 0.02 ∘C, and with a bias defined by a standard deviation ≤ 0.01 ∘C. Finally, the application of the developed approach to field data indicates significant repeatability in results and similarity with independent measurements, as well as promise in using a sliding time window to estimate temporal changes in soil thermal diffusivity, as needed to potentially capture changes in bulk density or water content.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2021

Simulation of the SPARC plasma boundary with the UEDGE code

Here in this work, the UEDGE edge transport code is used to examine conditions in the SPARC divertor and edge plasma for various levels of carbon impurity and power from the core (P SOL ). A double-null magnetic configuration is simulated assuming up-down symmetry in geometry and physics. The anomalous heat and particle transport coefficients are tuned to match empirical predictions for SPARC's midplane density profiles, target plate heat flux profiles, and inner/outer divertor power sharing. Convective transport is included on the low-field side, while on the high-field side the transport is modeled as purely diffusive. Hydrogen neutrals are modeled as a fluid with inertial effects, and a carbon impurity is included using the fixed-fraction model. We find that detachment induced by impurity seeding could significantly reduce the heat flux to the divertor surfaces in the SPARC tokamak. At P SOL = 28 MW (the value predicted for SPARC's full-power H-mode scenario) cases with both divertor legs detached were obtained with a carbon impurity fraction between 0.3%–1.4%, far below Z eff limits for SPARC. When the plasma in the outer leg is detached, the peak heat flux density perpendicular to the target plate is below 1 MW m -2 , electron and ion temperatures are less than 1.5 eV, and momentum detachment is observed. However, the detachment state is found to be sensitive to the side-wall boundary conditions, the level of neutral pumping, and the target plate tilt. Finally, a broadly similar SOLPS simulation of SPARC is used to assess the appropriateness of the simpler impurity and neutral models used in UEDGE.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Timescales of secondary organic aerosols to reach equilibrium at various temperatures and relative humidities

Abstract. Secondary organic aerosols (SOA) account for a substantial fraction of air particulate matter, and SOA formation is often modeled assuming rapid establishment of gas–particle equilibrium. Here, we estimate the characteristic timescale for SOA to achieve gas–particle equilibrium under a wide range of temperatures and relative humidities using a state-of-the-art kinetic flux model. Equilibration timescales were calculated by varying particle phase state, size, mass loadings, and volatility of organic compounds in open and closed systems. Model simulations suggest that the equilibration timescale for semi-volatile compounds is on the order of seconds or minutes for most conditions in the planetary boundary layer, but it can be longer than 1 h if particles adopt glassy or amorphous solid states with high glass transition temperatures at low relative humidity. In the free troposphere with lower temperatures, it can be longer than hours or days, even at moderate or relatively high relative humidities due to kinetic limitations of bulk diffusion in highly viscous particles. The timescale of partitioning of low-volatile compounds into highly viscous particles is shorter compared to semi-volatile compounds in the closed system, as it is largely determined by condensation sink due to very slow re-evaporation with relatively quick establishment of local equilibrium between the gas phase and the near-surface bulk. The dependence of equilibration timescales on both volatility and bulk diffusivity provides critical insights into thermodynamic or kinetic treatments of SOA partitioning for accurate predictions of gas- and particle-phase concentrations of semi-volatile compounds in regional and global chemical transport models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2018

Measurement and modeling of the multi-wavelength optical properties ofuncoated flame-generated soot

Abstract. Optical properties of flame-generated black carbon (BC) containing soot particles were quantified at multiple wavelengths for particles produced using two different flames, a methane diffusion flame and an ethylene premixed flame. Measurements were made for: (i) nascent soot particles, (ii) thermally denuded nascent particles, and (iii) particles that were coated then thermally denuded, leading to collapse of the initially lacy, fractal-like morphology. The measured mass absorption coefficients (MAC) depended on soot maturity and generation, but were similar between flames for similar conditions. For mature soot, here corresponding to particles with volume-equivalent diameters > ~ 160 nm, the MAC and absorption Angstrom exponent values were independent of particle collapse while the single scatter albedo increased. The MAC values for these larger particles were also size-independent. Effective, theory-specific complex refractive index ( RI ) values are derived from the observations with two widely-used methods: Lorenz-Mie theory and the Rayleigh-Debye-Gans (RDG) approximation. Mie theory systematically under-predicts the observed absorption cross-sections at all wavelengths for larger particles (with x > 0.9) independent of the complex RI used, while RDG provides good agreement. Importantly, this implies that the use of Mie theory within air quality and climate models, as is common, likely leads to under-predictions in the absorption by BC, with the extent of under-prediction depending on the assumed BC size distribution and complex RI used. We suggest that it is more appropriate to assume a constant, size-independent (but wavelength-specific) MAC to represent absorption by uncoated BC particles within models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

ON THE GRAVITATIONAL STABILITY OF GRAVITO-TURBULENT ACCRETION DISKS

Low mass, self-gravitating accretion disks admit quasi-steady, “gravito-turbulent” states in which cooling balances turbulent viscous heating. However, numerical simulations show that gravito-turbulence cannot be sustained beyond dynamical timescales when the cooling rate or corresponding turbulent viscosity is too large. The result is disk fragmentation. We motivate and quantify an interpretation of disk fragmentation as the inability to maintain gravito-turbulence due to formal secondary instabilities driven by: (1) cooling, which reduces pressure support; and/or (2) viscosity, which reduces rotational support. We analyze the axisymmetric gravitational stability of viscous, non-adiabatic accretion disks with internal heating, external irradiation, and cooling in the shearing box approximation. We consider parameterized cooling functions in 2D and 3D disks, as well as radiative diffusion in 3D. We show that generally there is no critical cooling rate/viscosity below which the disk is formally stable, although interesting limits appear for unstable modes with lengthscales on the order of the disk thickness. We apply this new linear theory to protoplanetary disks subject to gravito-turbulence modeled as an effective viscosity, and cooling regulated by dust opacity. We find that viscosity renders the disk beyond ∼60 au dynamically unstable on radial lengthscales a few times the local disk thickness. This is coincident with the empirical condition for disk fragmentation based on a maximum sustainable stress. We suggest turbulent stresses can play an active role in realistic disk fragmentation by removing rotational stabilization against self-gravity, and that the observed transition in behavior from gravito-turbulent to fragmenting may reflect instability of the gravito-turbulent state itself.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Interfacial Reactivity-Triggered Oscillatory Lattice Strains of Nanoalloys

Understanding the structure evolution of nanoalloys under reaction conditions is vital to the design of active and durable catalysts. Herein, we report an operando measurement of the dynamic lattice strains of dual-noble-metal alloyed with an earth-abundant metal as a model electrocatalyst in a working proton-exchange membrane fuel cell using synchrotron high-energy X-ray diffraction coupled with pair distribution function analysis. Additionally, the results reveal an interfacial reaction-triggered oscillatory lattice strain in the alloy nanoparticles upon surface dealloying. Analysis of the lattice strains with an apparent oscillatory irregularity in terms of frequency and amplitude using time-frequency domain transformation and theoretical calculation reveals its origin from a metal atom vacancy diffusion pathway to facilitate realloying upon dealloying. This process, coupled with surface metal partial oxidation, constitutes a key factor for the nanoalloy's durability under the electrocatalytic oxygen reduction reaction condition, which serves as a new guiding principle for engineering durable or self-healable electrocatalysts for sustainable fuel cell energy conversion.

Wu, Zhi-Peng [State University of New York (SUNY),↗

DOE OSTI2019

Data from: Hotspots of soil N2O emission enhanced through water absorption by plant residue

N2O is a highly potent greenhouse gas and arable soils represent its major anthropogenic source. Field-scale assessments and predictions of soil N2O emission remain uncertain and imprecise due to the episodic and microscale nature of microbial N2O production, most of which occurs within very small discrete soil volumes. Such hotspots of N2O production are often associated with decomposing plant residue. Here we quantify physical and hydrological soil characteristics that lead to strikingly accelerated N2O emissions in plant residue-induced hotspots. Results reveal a mechanism for microscale N2O emissions: water absorption by plant residue that creates unique micro-environmental conditions, markedly different from those of the bulk soil. Moisture levels within plant residue exceeded those of bulk soil by 4–10-fold and led to accelerated N2O production via microbial denitrification. The presence of large (∅ >35 μm) pores was a prerequisite for maximized hotspot N2O production and for subsequent diffusion to the atmosphere. Understanding and modelling hotspot microscale physical and hydrologic characteristics is a promising route to predict N2O emissions and thus to develop effective mitigation strategies and estimate global fluxes in a changing environment.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2020

Modeling the Transmission of Optical Lightning Signals Through Complex 3‐D Cloud Scenes

Abstract Space‐based lightning imagers have shown that complex cloud scenes consisting of multiple tall convective features, anvil clouds, and warm boundary cloud layers are illuminated by lightning in many different ways depending on where the lightning occurs and how energetic it is. Modifications to the optical lightning signals from radiative transfer in the cloud medium can lead to reductions in detection efficiency and location accuracy for these instruments and can also cause some of the optical signals that are detected to have unexpected spatial energy distributions. In this study, we perform Monte Carlo radiative transfer simulations of optical lightning emissions in clouds with complex 3‐D geometries to shed some light on the origins of certain irregular radiance patterns that have been recorded from orbit. We show that diffuse reflections off nearby cloud faces can explain lightning signals in nonelectrified clouds, tall clouds can result in poor optical transmission and suppressed radiances that could lead to missed events and that particularly favorable viewing conditions can cause otherwise normal lightning to produce a superbolt that is orders of magnitude brighter than the same flash seen from a different angle.

54 ENVIRONMENTAL SCIENCES↗