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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

The formation of interstellar jets

The formation of interstellar jets by convergence of supersonic conical flows and the further dynamical evolution of these jets are investigated theoretically by means of numerical simulations. The results are presented in extensive graphs and characterized in detail. Strong radiative cooling is shown to result in jets with Mach numbers 2.5-29 propagating to lengths 50-100 times their original widths, with condensation of swept-up interstellar matter at Mach 5 or greater. The characteristics of so-called molecular outflows are well reproduced by the simulations of low-Mach-number and quasi-adiabatic jets.

Tenorio-Tagle, G.↗
NASA NTRS1991

An experimental study of curved mixing layers: Flow visualization using volume rendering

The existence and importance of large-scale spanwise vortical structures for 2-D straight mixing layers has been well documented in the last decade. Computer models and simulations have sought to reproduce these vortical structures associated with the Kelvin-Helmholtz (K-H) instability mode which is due to the shear per se. Secondary streamwise vortical structures for the same flows were also seen experimentally and have recently been given importance in computational efforts. Curved mixing layers can be characterized as stable (the high-speed stream is placed on the outside of the longitudinal bend), leading to a suppression of the Taylor-Gortler (T-G) instability, and unstable (high-speed stream on the inside of the bend), leading to an enhancement of the T-G instability. The T-G instability is associated with the centripetal acceleration that the curvature imparts. Thus, curvature superimposed on 2-D shear layer flows provides a way for studying the importance of streamwise vorticity, its competition with spanwise vorticity, and changes to entrainment and mixing. Furthermore, the outcome of the competition of a relatively enhanced or suppressed T-G instability with the K-H instability offers the possibility of achieving passive mixing enhancement. As a first step in understanding the competition between the K-H and the T-G instabilities and the resulting changes to the structure of the flow, highly resolved visualizations of the flow structure for the stable and the unstable configurations are provided. The straight layer is also visualized for comparison with earlier works.

Karasso, Paris S.↗
DOE OSTI2024

Evaluating the Chemical Reactivity of DFT-Simulated Liquid Water with Hydrated Electrons via the Dual Descriptor

Modeling the various properties of liquid water, particularly its reactivity, has been a longstanding challenge for simulation methods. Recently, ab initio simulations based on density functional theory (DFT) have come to the fore as tenable methods for calculating the properties and reactivity of water, with varying degrees of success for different exchange-correlation functionals. In particular, hybrid-GGA and meta-GGA functionals have been shown to reproduce many of the structural, dynamical, and energetic properties of water to a high degree of accuracy relative to their computational cost. Here, we show that the dual descriptor (DD) measure of nucleophilicity and electrophilicity, which is sometimes used to elucidate organic chemistry reaction mechanisms, can also be used to characterize the reactivity of DFTsimulated liquid water. The DD is especially apt for understanding the reactivity of excess electrons with water as its calculation explicitly involves adding and removing an excess electron from a reference system. We use the DD to explore the reactivity of water simulated using three different DFT functionals: the LDA functional (LDA), a hybrid-GGA functional (PBE0), and a hybrid meta- GGA functional (SCAN0). Using the DD, we show that the SCAN0 functional with the standard 25% Hartree–Fock exchange produces simulated liquid water with many regions that are far more reactive than either PBE0 or LDA. To understand the implications of these highly reactive regions, we then add a strong nucleophile in the form of an excess electron and find that although PBE0 and LDA predict stable hydrated electrons, the excess electron reacts nearly instantaneously with SCAN0 water via proton abstraction to form a hydrogen atom and hydroxide ion. We show that the DD provides the ability to not only predict whether or not liquid water will react with a hydrated electron but also which particular waters will be involved solely from analyzing pure water configurations generated with each functional. We rationalize this result in terms of the known trap-seeking behavior of injected hydrated electrons, which are able to find the most electronegative region in bulk water. These results highlight the utility of the dual descriptor as a fast and interpretable method for investigating condensed-phase reactivity with excess electrons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Deciphering the influence of high-flux helium plasma exposure on tungsten nanostructure growth using real-time, in situ spectroscopic ellipsometry

In situ analysis of surfaces during high-flux plasma exposure represents a long-standing challenge in the study of plasma–material interactions. While post-mortem microscopy can provide a detailed picture of structural and compositional changes, in situ techniques can capture the dynamic evolution of the surface. In this study, we demonstrate how spectroscopic ellipsometry can be applied to the real-time characterization of W nanostructure (also known as “fuzz”) growth during exposure to low temperature, high-flux He plasmas. Strikingly, over a wide range of sample temperatures and helium fluences, the measured ellipsometric parameters (Ψ,Δ) collapse onto a single curve that can be directly correlated with surface morphologies characterized by ex situ helium ion microscopy. The initial variation in the (Ψ,Δ) parameters appears to be governed by small changes in surface roughness (<50 nm) produced by helium bubble nucleation and growth, followed by the emergence of 50 nm diameter W tendrils. This basic behavior appears to be reproducible over a wide parameter space, indicating that the spectroscopic ellipsometry may be of general practical use as a diagnostic to study surface morphologies produced by high-flux He implantation in refractory metals. An advantage of the methods outlined here is that they are applicable at low incident ion energies, even below the sputtering threshold. As an example of this application, we apply in situ ellipsometry to examine how W fuzz growth is affected both by varying ion energy and the temperature of the surface.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2011

Ethane in Planetary and Cometary Atmospheres: Transmittance and Fluorescence Models of the nu7 Band at 3.3 Micrometers

Ethane and other hydrocarbon gases have strong rovibrational transitions in the 3.3 micron spectral region owing to C-H, CH2, and CH3 vibrational modes, making this spectral region prime for searching possible biomarker gases in extraterrestrial atmospheres (e.g., Mars, exoplanets) and organic molecules in comets. However, removing ethane spectral signatures from high-resolution terrestrial transmittance spectra has been imperfect because existing quantum mechanical models have been unable to reproduce the observed spectra with sufficient accuracy. To redress this problem, we constructed a line-by-line model for the n7 band of ethane (C2H6) and applied it to compute telluric transmittances and cometary fluorescence efficiencies. Our model considers accurate spectral parameters, vibration-rotation interactions, and a functional characterization of the torsional hot band. We integrated the new band model into an advanced radiative transfer code for synthesizing the terrestrial atmosphere (LBLRTM), achieving excellent agreement with transmittance data recorded against Mars using three different instruments located in the Northern and Southern hemispheres. The retrieved ethane abundances demonstrate the strong hemispheric asymmetry noted in prior surveys of volatile hydrocarbons. We also retrieved sensitive limits for the abundance of ethane on Mars. The most critical validation of the model was obtained by comparing simulations of C2H6 fluorescent emission with spectra of three hydrocarbon-rich comets: C/2004 Q2 (Machholz), 8P/Tuttle, and C/2007 W1 (Boattini). The new model accurately describes the complex emission morphology of the nu7 band at low rotational temperatures and greatly increases the confidence of the retrieved production rates (and rotational temperatures) with respect to previously available fluorescence models.

Villanueva, G. L.↗
NASA NTRS2013

Radiative Forcing in the ACCMIP Historical and Future Climate Simulations

A primary goal of the Atmospheric Chemistry and Climate Model IntercomparisonProject (ACCMIP) was to characterize the short-lived drivers of preindustrial to 2100climate change in the current generation of climate models. Here we evaluate historicaland 5 future radiative forcing in the 10 ACCMIP models that included aerosols, 8 of whichalso participated in the Coupled Model Intercomparison Project phase 5 (CMIP5).The models generally reproduce present-day climatological total aerosol opticaldepth (AOD) relatively well. components to this total, however, and most appear to underestimate AOD over East10 Asia. The models generally capture 1980-2000 AOD trends fairly well, though theyunderpredict AOD increases over the YellowEastern Sea. They appear to strongly underestimate absorbing AOD, especially in East Asia, South and Southeast Asia, SouthAmerica and Southern Hemisphere Africa.We examined both the conventional direct radiative forcing at the tropopause (RF) and the forcing including rapid adjustments (adjusted forcing AF, including direct andindirect effects). The models calculated all aerosol all-sky 1850 to 2000 global meanannual average RF ranges from 0.06 to 0.49 W m(sup -2), with a mean of 0.26 W m(sup -2) and a median of 0.27 W m(sup -2. Adjusting for missing aerosol components in some modelsbrings the range to 0.12 to 0.62W m(sup -2), with a mean of 0.39W m(sup -2). Screen20ing the models based on their ability to capture spatial patterns and magnitudes ofAOD and AOD trends yields a quality-controlled mean of 0.42W m(sup -2) and range of0.33 to 0.50 W m(sup -2) (accounting for missing components). The CMIP5 subset of ACCMIPmodels spans 0.06 to 0.49W m(sup -2), suggesting some CMIP5 simulations likelyhave too little aerosol RF. A substantial, but not well quantified, contribution to histori25cal aerosol RF may come from climate feedbacks (35 to 58). The mean aerosol AF during this period is 1.12W m(sup -2) (median value 1.16W m(sup -2), range 0.72 to1.44W m(sup -2), indicating that adjustments to aerosols, which include cloud, water vaporand temperature, lead to stronger forcing than the aerosol direct RF.

Climate Models↗
DOE OSTI2023

Helical Organic and Inorganic Polymers

Despite being a staple of synthetic plastics and biomolecules, helical polymers are scarcely studied with Gaussian-basis-set ab initio electron-correlated methods on an equal footing with molecules. This article introduces an ab initio second-order many-body Green’s-function [MBGF(2)] method with nondiagonal, frequency-dependent Dyson self-energy for infinite helical polymers using screw-axis-symmetry-adapted Gaussian-spherical-harmonics basis functions. Together with the Gaussian-basis-set density-functional theory for energies, analytical atomic forces, translational-period force, and helical-angle force, it can compute correlated energy, quasiparticle energy bands, structures, and vibrational frequencies of an infinite helical polymer, which smoothly converge at the corresponding oligomer results. These methods can handle incommensurable structures, which have an infinite translational period and are hard to characterize by any other method, just as efficiently as commensurable structures. We apply them to polyethylene (2/1 helix), polyacetylene (Peierls’ system), and polytetrafluoroethylene (13/6 helix) to establish the quantitative accuracy of MBGF(2)/cc-pVDZ in simulating their (angle-resolved) ultraviolet photoelectron spectra, and of B3LYP/cc-pVDZ or 6-31G** in reproducing their structures, infrared and Raman band positions, phonon dispersions, and (coherent and incoherent) inelastic neutron scattering spectra. We then predict the same properties for infinitely catenated chains of nitrogen or oxygen and discuss their possible metastable existence under ambient conditions. They include planar zigzag polyazene (N2)x (Peierls’ system), 11/3-helical isotactic polyazane (NH)x, 9/4-helical isotactic polyfluoroazane (NF)x, and 7/2-helical polyoxane (O)x as potential high-energy-density materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Low-Cost Screening of Algae for Extreme Tolerance to pH, Temperature, Salinity, and Light

AbstractBioprospecting algae strains with tolerance to extreme conditions such as pH, temperature, salinity, and light is crucial for advancing biotechnology and environmental applications. However, traditional screening methods often involve significant costs and labor, restricting their accessibility and practical use. In this study, we developed and validated low-cost, high-throughput screening techniques, predominantly employing agar plates and liquid culture assays, to effectively differentiate tolerance levels among various algae strains. The methodologies were optimized using the model microalgaChlamydomonas reinhardtiiand its closely related speciesChlamydomonas incertaand the recently discovered extremophilicChlamydomonas pacifica. We systematically evaluated the algae for tolerance to extremes by establishing precise gradients of pH (acidic to alkaline conditions), salinity (0 to 5 M NaCl), temperature (34–42°C), and light intensity (40 to 2977 μE·m⁻²·s⁻¹). Our results demonstrated that these cost-effective, agar plate-based methods effectively distinguished algae strains exhibiting superior tolerance to extreme environmental conditions. These screening techniques not only provided clear differentiation among the closely related strains but also delivered reproducible outcomes suitable for scaling up to larger bioprospecting efforts. Furthermore, the affordability and simplicity of these methods facilitate their implementation in resource-limited laboratories, thereby broadening participation in algae bioprospecting endeavors. This study highlights the potential of low-cost, accessible screening techniques to significantly enhance the discovery and characterization of algal strains with extreme traits. Ultimately, these methods support the development of robust algae-based resources, driving innovation in diverse industrial processes and environmental solutions.Graphical Abstract

Saucedo, Barbara (ORCID:0009000008860839)↗
DOE OSTI2020

Understanding Interactive and Reproducible Computing With Jupyter Tools at Facilities

Increasingly Jupyter tools are being adopted and incorporated into High Performance Computing (HPC) and scientific user facilities. Adopting Jupyter tools enables more interactive and reproducible computational work at facilities across data life cycles. As the volume, variety, and scope of data grow, scientists need to be able to analyze and share results in user friendly ways. Human-centered research highlights design challenges around computational notebooks, and our qualitative user study shifts focus to better characterize how Jupyter tools are being used in HPC and science user facilities today. We conducted twenty-nine interviews, and obtained 103 survey responses from NERSC Jupyter users, to better understand the increasing role of interactive computing tools in DOE sponsored scientific work. We examine a range of issues that emerge using and supporting Jupyter in HPC ecosystems, including: how Jupyter is being used by scientists in HPC and user facility ecosystems; how facilities are purposefully supporting Jupyter in their ecosystems; feedback NERSC users have about the facility’s deployment, and, discuss features NERSC indicated would be helpful. We offer a variety of takeaways for staff supporting Jupyter at facilities, Project Jupyter and related open source communities, and funding agencies supporting interactive computing work.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

The Effect of Process History on Grain Boundaries and Dislocation Substructures on Functional Properties of Nb for SRF Cavities: Plastic Formability and Microstructural Evolution. Final report

While much progress has been made in improving the performance of cavities in the past decade, reproducible performance remains elusive. This renewal of “The cost of grain boundaries on the performance of superconducting cavities” examines in further depth the interactions between forming and annealing processes and functional performance at the scale of dislocation substructure and grain boundaries. There are five tasks identified in the renewal, which are: Characterization / analysis of current cavity technology: Effect of deformation, heat treatment, surface treatments, and residual damage on cavity function (Lee and Bieler) Characterization of dislocation mechanisms in single and bicrystals (Bieler) Quantifying effects of impurities and deformation mechanisms in Nb using density functional theory calculations (Solanki) Crystal plasticity constitutive model development (Pourboghrat and Eisenlohr) Modeling and measuring thermal conductivity in thin layers (Wright)

36 MATERIALS SCIENCE↗
NASA NTRS1983

Characterization of geostationary particle signatures based on the 'injection boundary' model

A simplified analytical procedure is used to characterize the details of geostationary particle signatures, in order to lend support to the 'injection boundary' concept. The signatures are generated by the time-of-flight effects evolving from an initial sharply defined, double spiraled boundary configuration. Complex and highly variable dispersion patterns often observed by geostationary satellites are successfully reproduced through the exclusive use of the most fundamental convection configuration characteristics. Many of the details of the patterns have not been previously presented. It is concluded that most of the dynamical dispersion features can be mapped to the double spiral boundary without further ad hoc assumptions, and that predicted and observed dispersion patterns exhibit symmetries distinct from those associated with the quasi-stationary particle convection patterns.

Mauk, B. H.↗
DOE OSTI2022

Stable Element Doping of Sol-gel Toward Simulating Environmental Matrix in Surrogate Explosive Nuclear Debris

Training nuclear forensic analysis personnel in post-detonation scenarios is of critical importance to nuclear threat response capabilities. Thus, realistic nuclear debris simulants which resemble the size, color, elemental composition, and radionuclide content of actual nuclear fallout from a recent detonation would be valuable for training nuclear first responders in realistic scenarios. As nuclear fallout types vary significantly in each of these parameters based on detonation environment (rural, urban, maritime etc.) and collection location, the ability to tailor each of these parameters accurately in simulated debris would be of immense benefit to the post-detonation analysis community for training both in-field collections and triage and the validation of laboratory level nuclear forensic techniques. Sol-gel synthesis techniques can provide the tunability of size, shape and composition required for producing surrogate nuclear debris of a wide variety. The sol-gel process consists of forming a metal oxide material, often silica, through polymerization of a metal-alkoxy precursor. In this work, we characterize the ability to load the sol-gel particles with secondary elemental components such as iron, aluminum, and calcium toward approximating the elemental composition of debris from various detonation environments and demonstrate the ability to produce particles with controllable size, shape, and color. We also demonstrate quantitative radionuclide encapsulation toward reproducing the radionuclide content of actual fallout from a recent detonation. Finally, we then employ these techniques in producing simulated aerodynamic debris samples with realistic elemental matrix composition and radionuclide content simulating a recent uranium-fueled detonation taking place in a rural desert environment and compare it to historic fallout from the Nevada Nuclear Security Site.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Stable Element Doping of Sol-gel Toward Simulating Environmental Matrix in Surrogate Explosive Nuclear Debris

Training nuclear forensic analysis personnel in post-detonation scenarios is of critical importance to nuclear threat response capabilities. Thus, realistic nuclear debris simulants which resemble the size, color, elemental composition, and radionuclide content of actual nuclear fallout from a recent detonation would be valuable for training nuclear first responders in realistic scenarios. As nuclear fallout types vary significantly in each of these parameters based on detonation environment (rural, urban, maritime etc.) and collection location, the ability to tailor each of these parameters accurately in simulated debris would be of immense benefit to the post-detonation analysis community for training both in-field collections and triage and the validation of laboratory level nuclear forensic techniques. Sol-gel synthesis techniques can provide the tunability of size, shape and composition required for producing surrogate nuclear debris of a wide variety. The sol-gel process consists of forming a metal oxide material, often silica, through polymerization of a metal-alkoxy precursor. In this work, we characterize the ability to load the sol-gel particles with secondary elemental components such as iron, aluminum, and calcium toward approximating the elemental composition of debris from various detonation environments and demonstrate the ability to produce particles with controllable size, shape, and color. We also demonstrate quantitative radionuclide encapsulation toward reproducing the radionuclide content of actual fallout from a recent detonation. Finally, we then employ these techniques in producing simulated aerodynamic debris samples with realistic elemental matrix composition and radionuclide content simulating a recent uranium-fueled detonation taking place in a rural desert environment and compare it to historic fallout from the Nevada Nuclear Security Site.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Logistic function as a characteristic of multipactor development

Simulations of multipacting with or without space charge effect bring out a different behavior of particle number growth, namely, the exponential growth of particle number in the simulations without space charge effect and the saturation of particle number (or collision and emission currents) when space charge is considered. That creates a certain confusion in evaluation and comparison of overall danger of multipactor between the approaches. On the other hand, both growth rate and total multipactor current loading at saturation are important for multipactor barriers evaluation. It was noticed and then verified that the logistic function, widely used in chemistry, biology, and ecosystem study, reproduces the particle number growth curves remarkably well. The function contains the parameters, which can be interpreted as particle number growth rate and multipactor current saturation level, so both become correlated and obtained simultaneously in one run. In this work it is shown how the logistic function can be used for characterization of the multipactor barriers and how it can be used for possible reduction of simulation time in the simulations with space charge effect.

Romanov, Gennady↗
NASA NTRS2020

Spacecraft Smoke Detector Characterization with Reference and Smoke Aerosols

Performance testing of consumer smoke detectors requires specific facilities and experiments with smoldering and flaming emissions from different fuels. Smoke detectors for use in spacecraft are tested using similar setups with representative fuel materials. To simplify smoke detector testing, this study explored the use of laboratory-generated reference aerosols as transfer standards to evaluate smoke detector performance. Among the three tested reference aerosols, mineral oil particles were reproducibly generated with a Gemini smoke detector tester, dioctyl sebacate (DOS) particles were generated with a wide concentration range and flexible size distributions using an atomizer, while polystyrene latex(PSL) particles were difficult to produce with the high concentrations needed for smoke detector testing. Reference aerosols generated from 1.5%–100% DOS solutions and mineral oil covered the response range of six types of smoke aerosols generated by oxidative pyrolysis of spacecraft-relevant materials. Although no single reference aerosol can be used to simulate the response of different smoke detection technologies to different smoke aerosols within ±10% error, the relationship between reference and smoke aerosols derived from this study can be used to predict smoke detector responses to combustion aerosols.

Smoke↗
DOE OSTI2023

Stoichiometric Control and Optical Properties of BaTiO 3 Thin Films Grown by Hybrid MBE

BaTiO 3 is a technologically relevant material in the perovskite oxide class with above-room-temperature ferroelectricity and a very large electro-optical coefficient, making it highly suitable for emerging electronic and photonic devices. An easy, robust, straightforward, and scalable growth method is required to synthesize epitaxial BaTiO 3 thin films with sufficient control over the film's stoichiometry to achieve reproducible thin film properties. Here the growth of BaTiO 3 thin films by hybrid molecular beam epitaxy is reported. A self-regulated growth window is identified using complementary information obtained from reflection high energy electron diffraction, the intrinsic film lattice parameter, film surface morphology, and scanning transmission electron microscopy. Subsequent optical characterization of the BaTiO 3 films by spectroscopic ellipsometry revealed refractive index and extinction coefficient values closely resembling those of stoichiometric bulk BaTiO 3 crystals for films grown inside the growth window. Even in the absence of a lattice parameter change of BaTiO 3 thin films, degradation of optical properties is observed, accompanied by the appearance of a wide optical absorption peak in the IR spectrum, attributed to optical transitions involving defect states present. Therefore, the optical properties of BaTiO 3 can be utilized as a much finer and more straightforward probe to determine the stoichiometry level present in BaTiO 3 films.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Theoretical modeling of hepatitis C acute infection in liver-humanized mice support pre-clinical assessment of candidate viruses for controlled-human-infection studies

Designing and carrying out a controlled human infection (CHI) model for hepatitis C virus (HCV) is critical for vaccine development. However, key considerations for a CHI model protocol include understanding of the earliest viral-host kinetic events during the acute phase and susceptibility of the viral isolate under consideration for use in the CHI model to antiviral treatment before any infections in human volunteers can take place. Humanized mouse models lack adaptive immune responses but provide a unique opportunity to obtain quantitative understanding of early HCV kinetics and develop mathematical models to further understand viral and innate immune response dynamics during acute HCV infection. We show that the models reproduce the measured HCV kinetics in humanized mice, which are consistent with early acute HCV-host dynamics in immunocompetent chimpanzees. Our findings suggest that humanized mice are well-suited to support development of a CHI model. In-silico and in-vivo modeling estimates provide a starting point to characterize candidate viruses for testing in CHI model studies.

Agent-based modeling↗
NASA NTRS1997

An Ecosystem Simulation Model for Methane Production and Emission from Wetlands

Previous experimental studies suggest that methane emission from wetland is influenced by multiple interactive pathways of gas production and transport through soil and sediment layers to the atmosphere. The objective of this study is to evaluate a new simulation model of methane production and emission in wetland soils that was developed initially to help identify key processes that regulate methanogenesis and net flux of CH4 to the air, but which is designed ultimately for regional simulation using remotely sensed inputs for land cover characteristics. The foundation for these computer simulations is based on a well-documented model (CASA) of ecosystem production and carbon cycling in the terrestrial blaspheme. Modifications to represent flooded wetland soils and anaerobic decomposition include three new sub-models for: (1) layered soil temperature and water table depth (WTD) as a function of daily climate drivers, (2) CH4 production within the anoxic soil layer as a function of WTD and CO2 production under poorly drained conditions, and (3) CH4 gaseous transport pathways (molecular diffusion, ebullition, and plant vascular transport) as a function of WTD and ecosystem type. The model was applied and tested using climate and ecological data to characterize tundra wetland sites near Fairbanks, Alaska studied previously by Whalen and Reeburgh. Comparison of model predictions to measurements of soil temperature and thaw depth, water-table depth, and CH4 emissions over a two year period suggest that inter-site differences in soil physical conditions and methane fluxes could be reproduced accurately for selected periods. Day-to-day comparison of predicted emissions to measured CH4 flux rates reveals good agreement during the early part of the thaw season, but the model tends to underestimate production of CH4 during the months of July and August in both test years. Important seasonal effects, including that of falling WTD during these periods, are apparently overlooked in the model formulation. Nevertheless, reasonably close agreement was achieved between the model's mean daily and seasonal estimates of CH4 flux and observed emission rates for northern wetland ecosystems. Several features of the model are identified as crucial to more accurate prediction of wetland methane emission, including the capacity to incorporate influences of localized topographic and hydrologic features on site-specific soil temperature and WTD dynamics, and mechanistic simulation of methane emission transport pathways from within the soil profile.

Potter, C. S.↗