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NASA NTRS2014

The Impact of Microphysics and Planetary Boundary Layer Physics on Model Simulation of U.S. Deep South Summer Convection

Inspection of output from various configurations of high-resolution, explicit convection forecast models such as the Weather Research and Forecasting (WRF) model indicates significant sensitivity to the choices of model physics pararneterizations employed. Some of the largest apparent sensitivities are related to the specifications of the cloud microphysics and planetary boundary layer physics packages. In addition, these sensitivities appear to be especially pronounced for the weakly-sheared, multicell modes of deep convection characteristic of the Deep South of the United States during the boreal summer. Possible ocean-land sensitivities also argue for further examination of the impacts of using unique ocean-land surface initialization datasets provided by the NASA Short-term Prediction Research and Transition (SPoRn Center to select NOAAlNWS weather forecast offices. To obtain better quantitative understanding of these sensitivities and also to determine the utility of the ocean-land initialization data, we have executed matrices of regional WRF forecasts for selected convective events near Mobile, AL (MOB), and Houston, TX (HGX). The matrices consist of identically initialized WRF 24-h forecasts using any of eight microphysics choices and any of three planetary boWldary layer choices. The resulting 24 simulations performed for each event within either the MOB or HGX regions are then compared to identify the sensitivities of various convective storm metrics to the physics choices. Particular emphasis is placed on sensitivities of precipitation timing, intensity, and coverage, as well as amount and coverage oflightuing activity diagnosed from storm kinematics and graupel in the mixed phase layer. The results confirm impressions gleaned from study of the behavior of variously configured WRF runs contained in the ensembles produced each spring at the Center for the Analysis and Prediction of Storms, but with the benefit of more straightforward control of the physics package choices. The design of the experiments thus allows for more direct interpretation of the sensitivities to each possible physics combination. The results should assist forecasters in their efforts to anticipate and correct for possible biases in simulated WRF convection patterns, and help the modeling community refine their model parameterizations.

McCaul, Eugene W., Jr.↗
NASA NTRS2014

The Impacts of Microphysics and Planetary Boundary Layer Physics on Model Simulations of U. S. Deep South Summer Convection

Inspection of output from various configurations of high-resolution, explicit convection forecast models such as the Weather Research and Forecasting (WRF) model indicates significant sensitivity to the choices of model physics parameterizations employed. Some of the largest apparent sensitivities are related to the specifications of the cloud microphysics and planetary boundary layer physics packages. In addition, these sensitivities appear to be especially pronounced for the weakly-sheared, multicell modes of deep convection characteristic of the Deep South of the United States during the boreal summer. Possible ocean-land sensitivities also argue for further examination of the impacts of using unique ocean-land surface initialization datasets provided by the NASA Short-term Prediction Research and Transition (SPoRT Center to select NOAA/NWS weather forecast offices. To obtain better quantitative understanding of these sensitivities and also to determine the utility of the ocean-land initialization data, we have executed matrices of regional WRF forecasts for selected convective events near Mobile, AL (MOB), and Houston, TX (HGX). The matrices consist of identically initialized WRF 24-h forecasts using any of eight microphysics choices and any of three planetary boundary layer choices. The resulting 24 simulations performed for each event within either the MOB or HGX regions are then compared to identify the sensitivities of various convective storm metrics to the physics choices. Particular emphasis is placed on sensitivities of precipitation timing, intensity, and coverage, as well as amount and coverage of lightning activity diagnosed from storm kinematics and graupel in the mixed phase layer. The results confirm impressions gleaned from study of the behavior of variously configured WRF runs contained in the ensembles produced each spring at the Center for the Analysis and Prediction of Storms, but with the benefit of more straightforward control of the physics package choices. The design of the experiments thus allows for more direct interpretation of the sensitivities to each possible physics combination. The results should assist forecasters in their efforts to anticipate and correct for possible biases in simulated WRF convection patterns, and help the modeling community refine their model parameterizations.

McCaul, E. W., Jr.↗
NASA NTRS2016

Assimilation of Gridded Terrestrial Water Storage Observations from GRACE into a Land Surface Model

Observations of terrestrial water storage (TWS) from the Gravity Recovery and Climate Experiment (GRACE) satellite mission have a coarse resolution in time (monthly) and space (roughly 150,000 km(sup 2) at midlatitudes) and vertically integrate all water storage components over land, including soil moisture and groundwater. Data assimilation can be used to horizontally downscale and vertically partition GRACE-TWS observations. This work proposes a variant of existing ensemble-based GRACE-TWS data assimilation schemes. The new algorithm differs in how the analysis increments are computed and applied. Existing schemes correlate the uncertainty in the modeled monthly TWS estimates with errors in the soil moisture profile state variables at a single instant in the month and then apply the increment either at the end of the month or gradually throughout the month. The proposed new scheme first computes increments for each day of the month and then applies the average of those increments at the beginning of the month. The new scheme therefore better reflects submonthly variations in TWS errors. The new and existing schemes are investigated here using gridded GRACE-TWS observations. The assimilation results are validated at the monthly time scale, using in situ measurements of groundwater depth and soil moisture across the U.S. The new assimilation scheme yields improved (although not in a statistically significant sense) skill metrics for groundwater compared to the open-loop (no assimilation) simulations and compared to the existing assimilation schemes. A smaller impact is seen for surface and root-zone soil moisture, which have a shorter memory and receive smaller increments from TWS assimilation than groundwater. These results motivate future efforts to combine GRACE-TWS observations with observations that are more sensitive to surface soil moisture, such as L-band brightness temperature observations from Soil Moisture Ocean Salinity (SMOS) or Soil Moisture Active Passive (SMAP). Finally, we demonstrate that the scaling parameters that are applied to the GRACE observations prior to assimilation should be consistent with the land surface model that is used within the assimilation system.

GRACE↗
NASA NTRS2020

Using a Simple Water Balance Framework to Quantify the Impact of Soil Moisture Initialization on Subseasonal Evapotranspiration and Air Temperature Forecasts

Past studies have shown that accurate soil moisture initialization can contribute significant skill to near-surface air temperature (T2M) forecasts at subseasonal leads. The mechanisms by which soil moisture contributes such skill are examined here with a simple water balance-based model that captures the essence of soil moisture behavior in a state-of-the-art subseasonal-to-seasonal (S2S) forecasting system. The simple model successfully transforms initial soil moisture contents into average “forecasted” ET values at 16-30 day lead that agree well, during summer, with the values forecasted by the full NASA GEOS S2S system, indicating that soil moisture initialization dominates over forecasted meteorology in determining ET fluxes at subseasonal leads. When the simple model’s ET anomalies are interpreted in terms of T2M anomalies, a similar conclusion is reached for T2M: soil moisture initialization explains much (about 50% in the eastern half of the continental US) of the T2M anomalies produced by the full GEOS S2S system at 16-30 day lead, and the T2M forecasts produced by the simple model capture about half of the skill attained by the full system. The simple model’s framework is particularly conducive to an analysis of uncertainty in forecasts. Drier soils are generally found to induce larger uncertainty in ET (and thus T2M) forecasts, a result linked to the functional form relating ET to soil moisture in the simple model and verified by an analysis of the ensemble spreads within the forecasts produced by the full GEOS S2S system

Randal D Koster↗
NASA NTRS2002

Soil Moisture and Snow Cover: Active or Passive Elements of Climate?

A key question in the study of the hydrologic cycle is the extent to which surface effects such as soil moisture and snow cover are simply passive elements or whether they can affect the evolution of climate on seasonal and longer time scales. We have constructed ensembles of predictability studies using the NCAR CCM3 in which we compared the relative roles of initial surface and atmospheric conditions over the central and western U.S. in determining the subsequent evolution of soil moisture and of snow cover. We have also made sensitivity studies with exaggerated soil moisture and snow cover anomalies in order to determine the physical processes that may be important. Results from simulations with realistic soil moisture anomalies indicate that internal climate variability may be the strongest factor, with some indication that the initial atmospheric state is also important. The initial state of soil moisture does not appear important, a result that held whether simulations were started in late winter or late spring. Model runs with exaggerated soil moisture reductions (near-desert conditions) showed a much larger effect, with warmer surface temperatures, reduced precipitation, and lower surface pressures; the latter indicating a response of the atmospheric circulation. These results suggest the possibility of a threshold effect in soil moisture, whereby an anomaly must be of a sufficient size before it can have a significant impact on the atmospheric circulation and hence climate. Results from simulations with realistic snow cover anomalies indicate that the time of year can be crucial. When introduced in late winter, these anomalies strongly affected the subsequent evolution of snow cover. When introduced in early winter, however, little or no effect is seen on the subsequent snow cover. Runs with greatly exaggerated initial snow cover indicate that the high reflectively of snow is the most important process by which snow cover cart impact climate, through lower surface temperatures and increased surface pressures. In early winter, the amount of solar radiation is very small and so this albedo effect is inconsequential while in late winter, with the sun higher in the sky and period of daylight longer, the effect is much stronger.

Oglesby, Robert J.↗
NASA NTRS2004

A Study of the Response of Deep Tropical Clouds to Mesoscale Processes: Sensitivities to Microphysics, Radiation, and Surface Fluxes - Part 2

The Goddard Cumulus Ensemble (GCE) model is used to examine the sensitivities of surface fluxes, explicit radiation, and ice microphysical processes on multi-day simulations of deep tropical convection over the Tropical Ocean Global Atmosphere Coupled Ocean-Atmosphere Response Experiment (TOGA COARE). The simulations incorporate large-scale advective temperature and moisture forcing, as well as large-scale momentum, that are updated every time step on a periodic lateral boundary grid. This study shows that when surface fluxes are eliminated, the mean atmosphere is much cooler and drier, convection and CAPE are much weaker, precipitation is less, and cloud coverage in stratiform regions much greater. Surface fluxes using the TOGA COARE flux algorithm are weaker than with the aerodynamic formulation, but closer to the observed fluxes. In addition, similar trends noted above for the case without surface fluxes are produced for the TOGA flux case, albeit to a much lesser extent. The elimination of explicit shortwave and longwave radiation is found to have only minimal effects on the mean thermodynamics, convection, and precipitation. However explicit radiation does have a significant impact on cloud temperatures and structure above 200 mb and on the overall mean vertical circulation. The removal of ice processes produces major changes in the structure of the cloud. Much of the liquid water is transported aloft and into anvils above the melting layer (600 mb), leaving narrow, but intense bands of rainfall in convective regions. The elimination of melting processes leads to greater hydrometeor mass below the melting layer, and produces a much warmer and moister boundary layer, leading to a greater mean CAPE. Finally, the elimination of the graupel species has only a small impact on mean total precipitation, thermodynamics, and dynamics of the simulation, but does produce much greater snow mass just above the melting layer. Some of these results differ from previous CRM studies of tropical systems, which is likely due to the type of simulated system, total time integration, and model setup.

Johnson, Daniel↗
NASA NTRS2001

Soil Moisture and Snow Cover: Active or Passive Elements of Climate?

A key question in the study of the hydrologic cycle is the extent to which surface effects such as soil moisture and snow cover are simply passive elements or whether they can affect the evolution of climate on seasonal and longer time scales. We have constructed ensembles of predictability studies using the NCAR CCM3 in which we compared the relative roles of initial surface and atmospheric conditions over the central and western U.S. GAPP region in determining the subsequent evolution of soil moisture and of snow cover. We have also made sensitivity studies with exaggerated soil moisture and snow cover anomalies in order to determine the physical processes that may be important. Results from simulations with realistic soil moisture anomalies indicate that internal climate variability may be the strongest factor, with some indication that the initial atmospheric state is also important. The initial state of soil moisture does not appear important, a result that held whether simulations were started in late winter or late spring. Model runs with exaggerated soil moisture reductions (near-desert conditions) showed a much larger effect, with warmer surface temperatures, reduced precipitation, and lower surface pressures; the latter indicating a response of the atmospheric circulation. These results suggest the possibility of a threshold effect in soil moisture, whereby an anomaly must be of a sufficient size before it can have a significant impact on the atmospheric circulation and hence climate. Results from simulations with realistic snow cover anomalies indicate that the time of year can be crucial. When introduced in late winter, these anomalies strongly affected the subsequent evolution of snow cover. When introduced in early winter, however, little or no effect is seen on the subsequent snow cover. Runs with greatly exaggerated initial snow cover indicate that the high reflectivity of snow is the most important process by which snow cover can impact climate, through lower surface temperatures and increased surface pressures. In early winter, the amount of solar radiation is very small and so this albedo, effect is inconsequential while in late winter, with the sun higher in the sky and period of daylight longer, the effect is much stronger. The results to date were obtained for model runs with present-day conditions. We are currently analyzing runs made with projected forcings for the 21st century to see if these results are modified in any way under likely scenarios of future climate change.

Oglesby, Robert J.↗
NASA NTRSDate not supplied

Satellite-Assisted Particulate Matter (SAPM) for the Models, In situ, and Remote Sensing of Aerosols (MIRA) Working Group

Models, In situ, and Remote sensing of Aerosols (MIRA) is an international working group that provides a forum for collaborations amongst these three atmospheric aerosol communities. MIRA consists of a collection of interdisciplinary and independently funded Topic/Project groups with clear goals and generally characterized by requests for additional scientific data. The Satellite-Assisted Particulate Matter (SAPM) Topic group focuses on the study of fine particulate matter (PM2.5), as it is a major contributor to air pollution and negatively impacts human health. Our group aims to provide intercomparisons of various methods and techniques for estimating surface PM2.5 assisted by satellite remote sensors (passive and active), global aerosol models, and in situ aerosol measurements. The overall motivation of our work is to enhance PM2.5 coverage beyond in situ ground stations, which can be limited. In this presentation, we provide an overview of various PM2.5 estimation approaches by current SAPM team members, as each approach has its own strengths and limitations. One approach uses near-surface aerosol extinction retrievals from the spaceborne Cloud-Aerosol Lidar with Orthogonal Polarization (CALIOP) and an assumed value of mass extinction efficiency to derive PM2.5 concentrations (Toth et al 2019). A study using this method found a promising agreement (R=0.60; slope=0.89) with U.S. Environmental Protection Agency (EPA) in situ PM2.5 measurements over the contiguous United States (CONUS) for a 12-year (2007-2018) period (Toth et al 2022). In a different approach combining spaceborne lidar and a model, the Cloud Aerosol Transport System (CATS) lidar and Goddard Earth Observing System (GEOS) model are blended in an ensemble variational assimilation scheme to retrieve aerosol extinction and convert speciated mass concentrations to total PM2.5. A recent study (Matus et al in prep.) found agreement within 2 μg/m3 over the CONUS on the 2016 annual mean when compared to EPA ground-based measurements. Another study explored trends in city aerosol optical depth (AOD) from a spaceborne passive remote sensor, Moderate Resolution Imaging Spectroradiometer (MODIS), and found that these trends agree well with trends in city surface PM2.5, which provides confidence in the use of city AOD for city PM2.5 trend studies (Vohra et al 2021). In a follow-on study, steep and significant trends (~2.5 to 7.8% a-1) in AOD are found for several South Asian cities (e.g., Bangalore and Hyderabad), suggesting rapid growth in PM2.5 (Vohra et al 2022). Also in this presentation, we report results on our current collective SAPM study of India, a country that exhibits high levels of PM2.5 pollution. We show the temporal (i.e., seasonal) and spatial variability of PM2.5 over India using the CALIOP and CATS+model approaches, comparisons between the estimated PM2.5 from the retrieval schemes, and validation with in situ PM2.5 ground-based observations from the Central Pollution Control Board in India. This region provides us with an excellent case study to test our PM2.5 retrievals in heavily polluted scenes and over a complex and varying topography. The SAPM Topic group actively seeks international participants/collaborators in our group, including those working with in situ aerosol measurements (e.g., ACTRIS). We are interested in aerosol datasets in order to either improve our PM2.5 estimates from various approaches (e.g., using in situ mass scattering/absorption coefficient and aerosol hygroscopic properties for various aerosol species) and/or validate the PM2.5 estimates (e.g., using in situ ground-based PM2.5 concentrations).

Travis D Toth↗
NASA NTRS2023

The Hydrological Cycle and Ocean Circulation of the Maritime Continent in the Mid-Pliocene: Results From PlioMIP2

The Maritime Continent (MC) forms the western boundary of the tropical Pacific Ocean, and relatively small changes in this region can impact the climate locally and remotely. In the mid-Piacenzian warm period of the Pliocene (mPWP; 3.264 to 3.025 Ma) atmospheric CO2 concentrations were ∼ 400 ppm, and the subaerial Sunda and Sahul shelves made the land–sea distribution of the MC different to today. Topographic changes and elevated levels of CO2, combined with other forcings, are therefore expected to have driven a substantial climate signal in the MC region at this time. By using the results from the Pliocene Model Intercomparison Project Phase 2 (PlioMIP2), we study the mean climatic features of the MC in the mPWP and changes in Indonesian Throughflow (ITF) with respect to the preindustrial. Results show a warmer and wetter mPWP climate of the MC and lower sea surface salinity in the surrounding ocean compared with the preindustrial. Furthermore, we quantify the volume transfer through the ITF; although the ITF may be expected to be hindered by the subaerial shelves, 10 out of 15 models show an increased volume transport compared with the preindustrial. In order to avoid undue influence from closely related models that are present in the PlioMIP2 ensemble, we introduce a new metric, the multi-cluster mean (MCM), which is based on cluster analysis of the individual models. We study the effect that the choice of MCM versus the more traditional analysis of multi-model mean (MMM) and individual models has on the discrepancy between model results and data. We find that models, which reproduce modern MC climate well, are not always good at simulating the mPWP climate anomaly of the MC. By comparing with individual models, the MMM and MCM reproduce the preindustrial sea surface temperature (SST) of the reanalysis better than most individual models and produce less discrepancy with reconstructed sea surface temperature anomalies (SSTA) than most individual models in the MC. In addition, the clusters reveal spatial signals that are not captured by the MMM, so that the MCM provides us with a new way to explore the results from model ensembles that include similar models.

Hydrological cycle↗
NASA NTRS2000

Numerical Simulations of TRMM LBA, TOGA, COARE, GATE, ARM and PRESTORM Convective Systems: Sensitivity tests on Microphysical Processes

The 3D Goddard Cumulus Ensemble (GCE) model was utilized to examine the behavior and response of simulated deep tropical cloud systems that occurred over the west Pacific warm pool region, the Atlantic ocean and the central United States. The periods chosen for simulation were convectively active periods during TOGA-COARE (February 22 1993, December 11-17, 1992; December 19-28, February 9-13, 1993), GATE (September 4, 1974), LBA (January 26 and February 23, 1998), ARM (1997 IOP) and PRESTORM (June 11, 1985). We will examine differences in the microphysics for both warm rain and ice processes (evaporation /sublimation and condensation/ deposition), Q1 (Temperature), Q2 (Water vapor) and Q3 (momentum both U and V) budgets for these three convective events from different large-scale environments. The contribution of stratiform precipitation and its relationship to the vertical shear of the large-scale horizontal wind will also be examined. New improvements to the GCE model (i.e., microphysics: 4ICE two moments and 3ICE one moment; advection schemes) as well as their sensitivity to the model results will be discussed. Preliminary results indicated that various microphysical schemes could have a major impact on stratiform formation as well as the size of convective systems. However, they do not change the major characteristics of the convective systems, such as: arc shape, strong rotational circulation on both ends of system, heavy precipitation along the leading edge of systems.

Tao, W.-K.↗
NASA NTRSDate not supplied

Openet: Applications of Satellite-Based Evapotranspiration Data for Water Resources Management in the Western United States

Advancing water security in overallocated river basins globally requires consistent and reproducible information on consumptive use of water that can anchor the development of data-driven solutions to the challenge of balancing water supply and demand. OpenET is a fully automated system for field-scale (30 m), satellite-based mapping of evapotranspiration (ET) at daily, monthly and annual timesteps. OpenET currently provides spatially contiguous data throughout the 23 westernmost states in the continental US, and includes both current information as well as multi-year timeseries of ET. The OpenET consortium has implemented an ensemble of satellite-based ET models (ALEXI/DisALEXI, eeMETRIC, PT-JPL, geeSEBAL, SIMS and SSEBop) on Google Earth Engine, which provides a shared computing platform for collaboration on processing of data from Landsat and other satellites, land cover and meteorological inputs, leading to increased consistency and accuracy across the ensemble of models. Earth Engine also facilitates hosting and distribution of data via open data collections and an application programming interface. We provide updates on the OpenET framework, open data services and data access tools, approach to geographic expansion, recent accuracy assessments, and describe how a user-driven design approach has facilitated successful applications of OpenET data for a wide range of water resource management activities. Applications to date include: use of ET data to improve quantification of ET and consumptive use in Oregon, Utah and the Upper Colorado River Basin; streamlining of water use reporting requirements in the California Delta; support for calculation of water budgets for the implementation of the Sustainable Groundwater Management Act in California; and integration into decision support tools for irrigation management. The use cases demonstrate how satellite-derived ET data that are easily accessed and seen as broadly accepted can accelerate adoption of innovative water management practices at scale, and support advances in the sustainability of water supplies. Uptake and use of data by the OpenET science community has also led to advances in our understanding of the impacts of landcover change, irrigation intensification and wildfire events on hydrology and the water security.

Applications↗
NASA NTRS2003

Spectral Retrieval of Latent Heating Profiles from TRMM PR Data: Comparison of Look-Up Tables

The primary goal of the Tropical Rainfall Measuring Mission (TRMM) is to use the information about distributions of precipitation to determine the four dimensional (i.e., temporal and spatial) patterns of latent heating over the whole tropical region. The Spectral Latent Heating (SLH) algorithm has been developed to estimate latent heating profiles for the TRMM Precipitation Radar (PR) with a cloud- resolving model (CRM). The method uses CRM- generated heating profile look-up tables for the three rain types; convective, shallow stratiform, and anvil rain (deep stratiform with a melting level). For convective and shallow stratiform regions, the look-up table refers to the precipitation top height (PTH). For anvil region, on the other hand, the look- up table refers to the precipitation rate at the melting level instead of PTH. For global applications, it is necessary to examine the universality of the look-up table. In this paper, we compare the look-up tables produced from the numerical simulations of cloud ensembles forced with the Tropical Ocean Global Atmosphere (TOGA) Coupled Atmosphere-Ocean Response Experiment (COARE) data and the GARP Atlantic Tropical Experiment (GATE) data. There are some notable differences between the TOGA-COARE table and the GATE table, especially for the convective heating. First, there is larger number of deepest convective profiles in the TOGA-COARE table than in the GATE table, mainly due to the differences in SST. Second, shallow convective heating is stronger in the TOGA COARE table than in the GATE table. This might be attributable to the difference in the strength of the low-level inversions. Third, altitudes of convective heating maxima are larger in the TOGA COARE table than in the GATE table. Levels of convective heating maxima are located just below the melting level, because warm-rain processes are prevalent in tropical oceanic convective systems. Differences in levels of convective heating maxima probably reflect differences in melting layer heights. We are now extending our study to simulations of other field experiments (e.g. SCSMEX and ARM) in order to examine the universality of the look-up table. The impact of look-up tables on the retrieved latent heating profiles will also be assessed.

Shige, Shoichi↗
NASA NTRS2006

Using the Bootstrap Method for a Statistical Significance Test of Differences between Summary Histograms

A new method is proposed to compare statistical differences between summary histograms, which are the histograms summed over a large ensemble of individual histograms. It consists of choosing a distance statistic for measuring the difference between summary histograms and using a bootstrap procedure to calculate the statistical significance level. Bootstrapping is an approach to statistical inference that makes few assumptions about the underlying probability distribution that describes the data. Three distance statistics are compared in this study. They are the Euclidean distance, the Jeffries-Matusita distance and the Kuiper distance. The data used in testing the bootstrap method are satellite measurements of cloud systems called cloud objects. Each cloud object is defined as a contiguous region/patch composed of individual footprints or fields of view. A histogram of measured values over footprints is generated for each parameter of each cloud object and then summary histograms are accumulated over all individual histograms in a given cloud-object size category. The results of statistical hypothesis tests using all three distances as test statistics are generally similar, indicating the validity of the proposed method. The Euclidean distance is determined to be most suitable after comparing the statistical tests of several parameters with distinct probability distributions among three cloud-object size categories. Impacts on the statistical significance levels resulting from differences in the total lengths of satellite footprint data between two size categories are also discussed.

Xu, Kuan-Man↗
NASA NTRSDate not supplied

Rational Design of Nanoplasmonic Array Geometries for Biosensing

Background: Molecular diagnostics provide early and accurate diagnosis, which is essential for the prevention and treatment of infectious as well as chronic diseases. These tests are designed to detect disease-specific bioanalytes such as nucleic acid (DNA or RNA) or protein (antigens, antibodies) biomarkers. In the context of infectious disease diagnosis, nucleic acid-based detection methods are known to provide more specific and sensitive results. Here, the presence of a unique sequence belonging to the pathogenic genomic material is targeted to identify species, organism, genera and/or antimicrobial resistant gene markers. The majority of the common nucleic acid based diagnostic techniques require amplification (polymerase chain reaction, isothermal amplification etc.) of the pathogenic genetic material prior to detection impacting diagnostic speed, complexity, and cost thereby limiting ease of use. Thus, the development of simplified nucleic acid-based diagnostics that can be even used in resource-poor settings may hugely benefit patients across the globe. Nanopath is a molecular diagnostics company utilizing a solid-state nanosensor to enable sequence-specific detection of target nucleic acids without the need of amplification. These nanostructures enable ultra-sensitive biomarker detection using geometric, feature-dependent properties highly dependent on the local dielectric environment, allowing them to be sensitive to low concentration binding events. This paper describes an application of this approach to provide highly relevant clinical information within a single doctor’s office visit. Intro: The Nanopath team is in collaboration with NASA (National Aeronautics and Space Administration) and NIST (National Institute of Standards and Technology) to push the bounds of the fundamental physics associated with their biosensing platform. The ability of metals to support electromagnetic surface waves gives rise to surface plasmons when optically illuminated. This property, and its strong sensitivity to changes in the local refractive index, allows for the use of metal nanoparticles as ultra-sensitive transducers. In prior work by members of this team, ensembles of randomly oriented nanoparticles (i.e., colloidal nanorods dispersed on chip) were employed for sequence-specific nucleic acid sensing (1-3). While these particle sensors have the advantage of rapid fabrication, they suffer from low sensitivity and quality factor due to the random particle dispersity. In contrast, in this study we employ ordered array nanoparticle ensembles which can be used to improve sensor sensitivity and figure-of-merit. Study Methods Overview: In this talk, we detail the results of sensing experiments and computational simulations to outline a rational design of the structure of these plasmonic nanoparticle arrays for biomolecular sensing. Through simulation and experiment, we iteratively tailor nanostructure dimension to provide high quality signal and large resonance shifts upon modeled nucleic acid binding. In particular, full-wave electromagnetic simulations were conducted using Lumerical photonic simulation software in which periodic boundary conditions were applied in the x- and y- dimensions for each of the nanoplasmonic sensor geometries. To simulate the resonance response to changes in the bulk solution in contact with the sensor surface, the refractive index of the surrounding media was changed appropriately. Nucleic acid hybridization events were modeled using either using spherical structures approximating the relevant radius of genomic material as estimated by polymer models, or as conformal layers with the known refractive indices for nucleic acids. On the basis of initial simulations, nanosensors were fabricated using traditional electron-beam lithography protocols at NIST. To evaluate consensus between simulations and experiments, bulk sensing experiments were carried out in which the resonance peaks were obtained by submerging the sensors in refractive index standards. Key nanosensor characteristics including resonance peak locations, resonance peak shifts as a function of refractive index, and figure of merit (FOM) of extinction curves were examined between the experimental and simulation results prior to proceeding with simulations on additional geometries and more complex solution conditions, and further device fabrication. This iterative process is repeated toward a rational design of nanoplasmonic array geometries for biosensing optimizing response for targeted disease detection. In summary, this study puts forth a methodology for rational design and characterization of regularly spaced nanoparticle arrays for optics-based biosensing. The results of this study will allow for more informed design of nanostructure geometries towards sequence-specific nucleic acid detection. These improved designs have the potential to improve clinical sensitivity and limit-of-detection across disease indication.

sensor↗
NASA NTRS2014

Irrigation as an Historical Climate Forcing

Irrigation is the single largest anthropogenic water use, a modification of the land surface that significantly affects surface energy budgets, the water cycle, and climate. Irrigation, however, is typically not included in standard historical general circulation model (GCM) simulations along with other anthropogenic and natural forcings. To investigate the importance of irrigation as an anthropogenic climate forcing, we conduct two 5-member ensemble GCM experiments. Both are setup identical to the historical forced (anthropogenic plus natural) scenario used in version 5 of the Coupled Model Intercomparison Project, but in one experiment we also add water to the land surface using a dataset of historically estimated irrigation rates. Irrigation has a negligible effect on the global average radiative balance at the top of the atmosphere, but causes significant cooling of global average surface air temperatures over land and dampens regional warming trends. This cooling is regionally focused and is especially strong in Western North America, the Mediterranean, the Middle East, and Asia. Irrigation enhances cloud cover and precipitation in these same regions, except for summer in parts of Monsoon Asia, where irrigation causes a reduction in monsoon season precipitation. Irrigation cools the surface, reducing upward fluxes of longwave radiation (increasing net longwave), and increases cloud cover, enhancing shortwave reflection (reducing net shortwave). The relative magnitude of these two processes causes regional increases (northern India) or decreases (Central Asia, China) in energy availability at the surface and top of the atmosphere. Despite these changes in net radiation, however, climate responses are due primarily to larger magnitude shifts in the Bowen ratio from sensible to latent heating. Irrigation impacts on temperature, precipitation, and other climate variables are regionally significant, even while other anthropogenic forcings (anthropogenic aerosols, greenhouse gases, etc.) dominate the long term climate evolution in the simulations. To better constrain the magnitude and uncertainties of irrigation-forced climate anomalies, irrigation should therefore be considered as another important anthropogenic climate forcing in the next generation of historical climate simulations and multimodel assessments.

simulation↗
NASA NTRS2021

Improved representation of the global dust cycle using observational constraints on dust properties and abundance

Even though desert dust is the most abundant aerosol by mass in Earth's atmosphere, atmospheric models struggle to accurately represent its spatial and temporal distribution. These model errors are partially caused by fundamental difficulties in simulating dust emission in coarse-resolution models and in accurately representing dust microphysical properties. Here we mitigate these problems by developing a new methodology that yields an improved representation of the global dust cycle. We present an analytical framework that uses inverse modeling to integrate an ensemble of global model simulations with observational constraints on the dust size distribution, extinction efficiency, and regional dust aerosol optical depth. We then compare the inverse model results against independent measurements of dust surface concentration and deposition flux and find that errors are reduced by approximately a factor of 2 relative to current model simulations of the Northern Hemisphere dust cycle. The inverse model results show smaller improvements in the less dusty Southern Hemisphere, most likely because both the model simulations and the observational constraints used in the inverse model are less accurate. On a global basis, we find that the emission flux of dust with a geometric diameter up to 20 µm (PM20) is approximately 5000 Tg yr−1, which is greater than most models account for. This larger PM20 dust flux is needed to match observational constraints showing a large atmospheric loading of coarse dust. We obtain gridded datasets of dust emission, vertically integrated loading, dust aerosol optical depth, (surface) concentration, and wet and dry deposition fluxes that are resolved by season and particle size. As our results indicate that this dataset is more accurate than current model simulations and the MERRA-2 dust reanalysis product, it can be used to improve quantifications of dust impacts on the Earth system.

Dust cycle↗
NASA NTRS2021

Improved Representation of the Global Dust Cycle Using Observational Constraints on Dust Properties and Abundance

Even though desert dust is the most abundant aerosol by mass in Earth’s atmosphere, atmospheric models 25 struggle to accurately represent its spatial and temporal distribution. These model errors are partially caused byfundamental difficulties in simulating dust emission in coarse-resolution models and in accurately representing dust microphysical properties. Here we mitigate these problems by developing a new methodology that yields an improved representation of the global dust cycle. We present an analytical framework that uses inverse modeling to integrate an ensemble of global model simulations with observational constraints on the dust size distribution, 30 extinction efficiency, and regional dust aerosol optical depth. We then compare the inverse model results against independent measurements of dust surface concentration and deposition flux and find that errors are reduced by approximately a factor of two relative to current model simulations of the Northern Hemisphere dust cycle. The inverse model results show smaller improvements in the less dusty Southern Hemisphere, most likely because both the model simulations and the observational constraints used in the inverse model are less accurate. On a global 35 basis, we find that the emission flux of dust with geometric diameter up to 20 μm (PM20) is approximately 5,000 Tg/year, which is greater than most models account for. This larger PM20 dust flux is needed to match observational constraints showing a large atmospheric loading of coarse dust. We obtain gridded data sets of dust emission, vertically integrated loading, dust aerosol optical depth, (surface) concentration, and wet and dry deposition fluxes that are resolved by season and particle size. As our results indicate that this data set is more accurate than current 40 model simulations and the MERRA-2 dust reanalysis product, it can be used to improve quantifications of dust impacts on the Earth system.

aerosols, dust↗
NASA NTRS2006

Comet Mineralogy as Inferred from Infrared Spectra of Comets

For most comets, infrared (IR) spectroscopy (remote sensing) is the method through which we diagnose the mineralogy and size distribution of dust in their comae. The shape and contrast of the IR spectral features depend on the particle size: optically active minerals (absorbing of visible and near-IR solar photons) and submicron solid grains or highly porous (> 90% vacuum) grains primarily contribute to the shapes of the observed resonances. Comet mineralogies typically are determined by fitting thermal emission models of ensembles of discrete mineral grains to observed IR spectral energy distributions. The absorptivities (Q-abs) and scattering efficiencies (Q-scat) of the discrete mineral grains are computed using Mie scattering, Maxwell-Garnet mixing, Discrete Dipole Approximation, and Multi-Layered Sphere codes. These techniques when applied to crystalline minerals, specifically olivine (Mg_x, Fe_1-x)2 Si04, x>0.9, require the use of ellipsoidal shaped particles with elongated axial ratios or hollow spheres to produce the shapes of the resonances observed both from comet comae and laboratory samples. The wavelength positions of the distinct resonances from submicron-radii crystalline silicates, as well as their thermal equilibrium temperatures, constrain the crystalline olivine to have a relatively high Mg-content (x>0.9, or Fo>90). Only resonances computed for submicron Mg-rich crystalline olivine and crystalline orthopyroxene match the observed IR spectral features. However, this has led to the interpretation that micron-radii and larger crystals are absent from comet comae. Furthermore, the mass fraction of silicate crystals is dependent upon whether just the submicron portion of the size distribution is being compared or the submicron crystals compare to the aggregates of porous amorphous silicates that are computationally tractable as porous spheres. We will discuss the Deep Impact results as examples of these challenges to interpreting mid-IR spectra of short-period comets.

Wooden, Diane H.↗