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At least 1,531 records · Page 85

Concept for maritime near-surface surveillance using water Raman scattering

Here, we discuss a maritime surveillance and detection concept based on Raman scattering of water molecules. Using a range-gated scanning lidar that detects Raman scattered photons from water, the absence or change of signal indicates the presence of a non-water object. With sufficient spatial resolution, a two-dimensional outline of the object can be generated by the scanning lidar. Because Raman scattering is an inelastic process with a relatively large wavelength shift for water, this concept avoids the often problematic elastic scattering for objects at or very close to the water surface or from the bottom surface for shallow waters. The maximum detection depth for this concept is limited by the attenuation of the excitation and return Raman light in water. If excitation in the UV is used, fluorescence can be used for discrimination between organic and non-organic objects. In this paper, we present a lidar model for this concept and discuss results of proof-of-concept measurements. Using published cross section values, the model and measurements are in reasonable agreement and show that a sufficient number of Raman photons can be generated for modest lidar parameters to make this concept useful for near-surface detection.

47 OTHER INSTRUMENTATION↗

A Multi-Sensor Unoccupied Aerial System Improves Characterization of Vegetation Composition and Canopy Properties in the Arctic Tundra: Supporting Data

Remote sensing data collected from Brookhaven National Laboratory's (BNL) heavy-lift unoccupied aerial system (UAS) octocopter platform - the Osprey - operated by the Terrestrial Ecosystem Science and Technology (TEST) group. Data was collected from a single flight over the Kougarok hillslope site on 26 July, 2018. The Osprey is a multi-sensor UAS platform that simultaneously measures very high spatial resolution optical red/green/blue (RGB) and thermal infrared (TIR) surface "skin" temperature imagery, as well as surface reflectance at 1nm intervals in the visible to near-infrared spectral range from ~350-1000 nm measured at regular intervals along each flight path. Derived image products include ortho-mosaiced RGB and TIR images, an RGB-based digital surface model (DSM) using the structure from motion (SfM) technique, digital terrain model (DTM), and a canopy height model. Ancillary aircraft data, flight mission parameters, and general flight conditions are also included. This dataset includes *.pdf, *.txt, *.tif, *.dat, and *.csv with most zipped in *.tar.gz files. The Next-Generation Ecosystem Experiments: Arctic (NGEE Arctic), was a research effort to reduce uncertainty in Earth System Models by developing a predictive understanding of carbon-rich Arctic ecosystems and feedbacks to climate. NGEE Arctic was supported by the Department of Energy's Office of Biological and Environmental Research. The NGEE Arctic project had two field research sites: 1) located within the Arctic polygonal tundra coastal region on the Barrow Environmental Observatory (BEO) and the North Slope near Utqiagvik (Barrow), Alaska and 2) multiple areas on the discontinuous permafrost region of the Seward Peninsula north of Nome, Alaska. Through observations, experiments, and synthesis with existing datasets, NGEE Arctic provided an enhanced knowledge base for multi-scale modeling and contributed to improved process representation at global pan-Arctic scales within the Department of Energy's Earth system Model (the Energy Exascale Earth System Model, or E3SM), and specifically within the E3SM Land Model component (ELM).

54 ENVIRONMENTAL SCIENCES↗

Generation of entangled-photons by a quantum dot cascade source in polarized cavities: Using cavity resonances to boost signals and preserve the entanglements

Motivated by recent advances in the development of single photon emitters for quantum information sciences, here we design and formulate a quantum cascade model that describes cascade emission by a quantum dot (QD) in a cavity structure while preserving entanglement that stores information needed for single photon emission. The theoretical approach is based on a photonic structure that consists of two orthogonal cavities in which resonance with either the first or second of the two emitted photons is possible, leading to amplification and rerouting of the entangled light. The cavity–QD scheme uses a four-level cascade emitter that involves three levels for each polarization, leading to two spatially entangled photons for each polarization. By solving the Schrodinger equation, we identify the characteristic properties of the system, which can be used in conjunction with optimization techniques to achieve the “best” design relative to a set of prioritized criteria or constraints in our optical system. The theoretical investigations include an analysis of emission spectra in addition to the joint spectral density profile, and the results demonstrate the ability of the cavities to act as frequency filters for the photons that make up the entanglements and to modify entanglement properties. The results provide new opportunities for the experimental design and engineering of on-demand single photon sources.

Chemistry↗

Comparison of structurally diverse simulation models for prediction of epidemic outcomes caused by a long-distance dispersed pathogen

Long-distance dispersal (LDD) pathogens pose substantial challenges for epidemic control due to their ability to generate new infection foci at great distances. While various modeling approaches have been developed to understand and manage such outbreaks, little work has compared how models of different structures behave under shared conditions. Here, in this study, we compare four structurally distinct epidemiological models — EPIMUL, GEMF, PoPS, and Warwick — each adapted to simulate the spread of wheat stripe rust (WSR), a wind-dispersed LDD pathogen, under identical epidemiological parameters and dispersal kernel. Using data from a controlled field experiment, we evaluate the ability of each model to replicate disease prevalence under nine intervention scenarios that vary in timing and culling area. While the models differ substantially in design — ranging from spatial grid-based to network-based and raster-based frameworks — the shared dispersal kernel allowed for close alignment in their predictions. All models accurately captured general epidemic trends, particularly the strong effect of early intervention on disease suppression. We qualitatively compared their behavioral responses across scenarios and also evaluated an ensemble prediction by averaging across model outputs. Our findings highlight how integrating shared epidemiological components into distinct modeling frameworks can improve consistency and accuracy, while reinforcing the importance of early culling in managing LDD pathogen outbreaks.

Dispersal kernel↗

Multidimensional Distributional Neural Network Output Demonstrated in Super‐Resolution of Surface Wind Speed

Accurate quantification of uncertainty in neural network predictions remains a central challenge for scientific applications involving high-dimensional, correlated data. While existing methods capture either aleatoric or epistemic uncertainty, few offer closed-form, multidimensional distributions that preserve spatial correlation while remaining computationally tractable. In this work, we present a framework for training neural networks with a multidimensional Gaussian loss, generating a closed-form predictive distribution over outputs informed by non-identically distributed training data. Our approach captures aleatoric uncertainty by iteratively estimating the means and covariance matrices, and is demonstrated on a super-resolution example out-of-training-sample. We leverage a Fourier representation of the covariance matrix to stabilize network training and preserve spatial correlation. We introduce a novel regularization strategy—referred to as information sharing—that interpolates between image-specific and global covariance estimates, enabling convergence of the super-resolution downscaling network trained on image-specific distributional loss functions. This framework allows for efficient sampling, explicit correlation modeling, and extensions to more complex distribution families all without disrupting prediction performance. We demonstrate the method on a surface wind speed downscaling task and discuss its broader applicability to uncertainty-aware prediction in scientific models.

17 WIND ENERGY↗

PyDDA: A Pythonic Direct Data Assimilation Framework for Wind Retrievals

This software assimilates data from an arbitrary number of weather radars together with other spatial wind fields (eg numerical weather forecasting model data) in order to retrieve high resolution three dimensional wind fields. PyDDA uses NumPy and SciPy’s optimization techniques combined with the Python Atmospheric Radiation Measurement (ARM) Radar Toolkit (Py-ART) in order to create wind fields using the 3D variational technique (3DVAR). PyDDA is hosted and distributed on GitHub at https://github.com/openradar/PyDDA. PyDDA has the potential to be used by the atmospheric science community to develop high resolution wind retrievals from radar networks. These retrievals can be used for the evaluation of numerical weather forecasting models and plume modelling. This paper shows how wind fields from 2 NEXt generation RADar (NEXRAD) WSR-88D radars and the High Resolution Rapid Refresh can be assimilated together using PyDDA to create a high resolution wind field inside Hurricane Florence.

54 ENVIRONMENTAL SCIENCES↗

Estimation of Supersonic Stage Separation Aerodynamics of Winged-Body Launch Vehicles Using Response Surface Methods

Response surface methodology was used to estimate the longitudinal stage separation aerodynamic characteristics of a generic, bimese, winged multi-stage launch vehicle configuration at supersonic speeds in the NASA LaRC Unitary Plan Wind Tunnel. The Mach 3 staging was dominated by shock wave interactions between the orbiter and booster vehicles throughout the relative spatial locations of interest. The inference space was partitioned into several contiguous regions within which the separation aerodynamics were presumed to be well-behaved and estimable using central composite designs capable of fitting full second-order response functions. The underlying aerodynamic response surfaces of the booster vehicle in belly-to-belly proximity to the orbiter vehicle were estimated using piecewise-continuous lower-order polynomial functions. The quality of fit and prediction capabilities of the empirical models were assessed in detail, and the issue of subspace boundary discontinuities was addressed. Augmenting the central composite designs to full third-order using computer-generated D-optimality criteria was evaluated. The usefulness of central composite designs, the subspace sizing, and the practicality of fitting lower-order response functions over a partitioned inference space dominated by highly nonlinear and possibly discontinuous shock-induced aerodynamics are discussed.

Erickson, Gary E.↗

Flow Redirection and Induction in Steady State (FLORIS) Wind Plant Power Production Data Sets

This dataset contains turbine- and plant-level power outputs for 252,500 cases of diverse wind plant layouts operating under a wide range of yawing and atmospheric conditions. The power outputs were computed using the Gaussian wake model in NREL's FLOw Redirection and Induction in Steady State (FLORIS) model, version 2.3.0. The 252,500 cases include 500 unique wind plants generated randomly by a specialized Plant Layout Generator (PLayGen) that samples randomized realizations of wind plant layouts from one of four canonical configurations: (i) cluster, (ii) single string, (iii) multiple string, (iv) parallel string. Other wind plant layout parameters were also randomly sampled, including the number of turbines (25-200) and the mean turbine spacing (3D-10D, where D denotes the turbine rotor diameter). For each layout, 500 different sets of atmospheric conditions were randomly sampled. These include wind speed in 0-25 m/s, wind direction in 0 deg.-360 deg., and turbulence intensity chosen from low (6%), medium (8%), and high (10%). For each atmospheric inflow scenario, the individual turbine yaw angles were randomly sampled from a one-sided truncated Gaussian on the interval 0 deg.-30 deg. oriented relative to wind inflow direction. This random data is supplemented with a collection of yaw-optimized samples where FLORIS was used to determine turbine yaw angles that maximize power production for the entire plant. To generate this data, a subset of cases were selected (50 atmospheric conditions from 50 layouts each for a total of additional 2,500 cases) for which FLORIS was re-run with wake steering control optimization. The IEA onshore reference turbine, which has a 130 m rotor diameter, a 110 m hub height, and a rated power capacity of 3.4 MW was used as the turbine for all simulations. The simulations were performed using NREL's Eagle high performance computing system in February 2021 as part of the Spatial Analysis for Wind Technology Development project funded by the U.S. Department of Energy Wind Energy Technologies Office. The data was collected, reformatted, and preprocessed for this OEDI submission in May 2023 under the Foundational AI for Wind Energy project funded by the U.S. Department of Energy Wind Energy Technologies Office. This dataset is intended to serve as a benchmark against which new artificial intelligence (AI) or machine learning (ML) tools may be tested. Baseline AI/ML methods for analyzing this dataset have been implemented, and a link to their repository containing those models has been provided. The .h5 data file structure can be found in the GitHub repository under explore_wind_plant_data_h5.ipynb.

AI↗

Ejecta Generation and Redistribution on 433 Eros: Modeling Ejecta Launch Conditions

The NEAR-Shoemaker mission to asteroid 433 Eros presents an unprecedented opportunity to gain fundamental new knowledge about the processes governing regolith formation and redistribution on small bodies. NEAR-Shoemaker’s high-resolution imaging of the surface of Eros makes the asteroid a valuable and heretofore unparalleled laboratory for the detailed study of impact ejecta reaccretion and regolith redistribution on low-gravity (of order 10 -3 g) objects. Regolith is produced on asteroids by impact cratering, and the existence of regolith on the smallest solar system bodies supports the view that some of the ejecta from impact events on such objects may be retained. Impact craters and retained ejecta on low-gravity objects like Eros represent valuable natural laboratories for evaluating various models of impact cratering processes, since they may present crater structures or ejecta features that either do not form or are hidden on higher-gravity bodies like the Moon. Further, quantifying the extent to which impact processes generate and redistribute regoliths on small body surfaces (excavation depths, retained fraction, turnover timescales, etc.) is pivotal to the issue of how to relate meteoritical samples to their asteroidal parent bodies when surficial processes ( i.e., “space weathering”) may disguise or cover up underlying material and confound the ability of remote sensing techniques to provide reliable mineralogical assays of the parent objects. The rich variety of data on Eros’ regolith properties and distribution returned by NEAR-Shoemaker now require detailed analysis in order to take full advantage of the clues these observations offer for elucidating details of the impact cratering process on small bodies. Complicating simple interpretations of crater and ejecta morphology are dynamical effects on ejecta emplacement resulting from Eros’ irregular shape, rapid (5.27 hr) rotation, and low gravity. Figure 1 shows the very different ejecta deposit morphology that can result if the effects of rotation alone are neglected. Considering the additional complicating factors of Eros’ irregular shape and complex gravitational field, simple calculations of the extent and thickness of ejecta blankets and the spatial distribution of ejecta blocks from basic crater scaling laws or numerical hydrocodes alone do not suffice. In order to fully interpret the suite of NEAR-Shoemaker observations of regolith features across the surface of Eros and to evaluate various impact models for specific craters on the asteroid, detailed dynamical modeling of the deposition of crater ejecta from those craters is required . Here, I describe some modifications and improvements to the dynamical model being used for these studies.

D D Durda↗

Vertical Scales of Turbulence at the Mount Wilson Observatory

The vertical scales of turbulence at the Mount Wilson Observatory are inferred from data from the University of California at Berkeley Infrared Spatial Interferometer (ISI), by modeling path length fluctuations observed in the interferometric paths to celestial objects and those in instrumental ground-based paths. The correlations between the stellar and ground-based path length fluctuations and the temporal statistics of those fluctuations are modeled on various timescales to constrain the vertical scales. A Kolmogorov-Taylor turbulence model with a finite outer scale was used to simulate ISI data. The simulation also included the white instrumental noise of the interferometer, aperture-filtering effects, and the data analysis algorithms. The simulations suggest that the path delay fluctuations observed in the 1992-1993 ISI data are largely consistent with being generated by refractivity fluctuations at two characteristic vertical scales: one extending to a height of 45 m above the ground, with a wind speed of about 1 m/ s, and another at a much higher altitude, with a wind speed of about 10 m/ s. The height of the lower layer is of the order of the dimensions of trees and other structures near the interferometer, which suggests that these objects, including elements of the interferometer, may play a role in generating the lower layer of turbulence. The modeling indicates that the high- attitude component contributes primarily to short-period (less than 10 s) fluctuations, while the lower component dominates the long-period (up to a few minutes) fluctuations. The lower component turbulent height, along with outer scales of the order of 10 m, suggest that the baseline dependence of long-term interferometric, atmospheric fluctuations should weaken for baselines greater than a few tens of meters. Simulations further show that there is the potential for improving the seeing or astrometric accuracy by about 30%-50% on average, if the path length fluctuations in the lower component are directly calibrated. Statistical and systematic effects induce an error of about 15 m in the estimate of the lower component turbulent altitude.

Treuhaft, Robert N.↗

Determining Greenland Ice Sheet Accumulation Rates from Radar Remote Sensing

An important component of NASA's Program for Arctic Regional Climate Assessment (PARCA) is a mass balance investigation of the Greenland Ice Sheet. The mass balance is calculated by taking the difference between the areally Integrated snow accumulation and the net ice discharge of the ice sheet. Uncertainties in this calculation Include the snow accumulation rate, which has traditionally been determined by interpolating data from ice core samples taken from isolated spots across the ice sheet. The sparse data associated with ice cores juxtaposed against the high spatial and temporal resolution provided by remote sensing , has motivated scientists to investigate relationships between accumulation rate and microwave observations as an option for obtaining spatially contiguous estimates. The objective of this PARCA continuation proposal was to complete an estimate of surface accumulation rate on the Greenland Ice Sheet derived from C-band radar backscatter data compiled in the ERS-1 SAR mosaic of data acquired during, September-November, 1992. An empirical equation, based on elevation and latitude, is used to determine the mean annual temperature. We examine the influence of accumulation rate, and mean annual temperature on C-band radar backscatter using a forward model, which incorporates snow metamorphosis and radar backscatter components. Our model is run over a range of accumulation and temperature conditions. Based on the model results, we generate a look-up table, which uniquely maps the measured radar backscatter, and mean annual temperature to accumulation rate. Our results compare favorably with in situ accumulation rate measurements falling within our study area.

Jezek, Kenneth C.↗

A Comparison of System Architectures for a Mechanically Pumped Two-Phase Thermal Control System

The NASA Jet Propulsion Laboratory is developing a mechanically pumped two-phase fluid loop thermal control system to enable novel mission designs and greater science return. Pumped two-phase fluid loops have the potential to provide robust and effective thermal control that combine the best aspects of passive two-phase systems (heat pipes) and mechanically pumped single-phase fluid loops. The current program requirements include the development of a system with multiple 1 sq.m evaporators, each of which is capable of remaining spatially and temporally isothermal while accommodating heat loads of up to 500 W and local fluxes of up to 5 W/sq.cm. The goal is to attain this using less than 5 W of power. Such a system would be able to accommodate the next generation of payload and bus electronics while using minimal resources. This paper compares two different mechanically pumped two-phase fluid loop architectures in the context of these requirements. A mixed flow and separated flow architecture are compared on a theoretical and experimental basis. Test data from sub-scale, single evaporator/single condenser, mixed flow and separated flow testbeds are presented. In addition, a model is introduced to better understand separated flow systems and some expressions for the theoretical performance limits of such systems are developed. To date, the investigation suggests that a separated flow architecture is better suited to the program requirements. Separated flow systems have the potential to accommodate an isothermalizing two-phase evaporator while using lower levels of power than would be required for a mixed flow system. In addition, it is argued that separated flow systems are more robust and amenable to analysis than mixed flow systems, since they significantly reduce the occurrence of two-phase flow by separating phases in the evaporator. Future work will include developing a full-scale testbed that includes multiple evaporators and condensers in a representative flight configuration.

Furst, Benjamin↗

Modeling and Visualizing Uncertainty in Continuous Variables Predicted using Remotely Sensed Data

The use of remotely sensed images to map continuous biophysical variables, such as those related to terrestrial vegetation amount, sea surface temperature, and many other targets of NASA s Earth Observing System (EOS), includes variable, parametric, positional, spatial support and structural sources of uncertainty. A complete description of uncertainty will lead to a probability distribution at each location, allowing the exploration of the spatial dimension of uncertainty, that is, where the field is not well quantified. To achieve this purpose, convenient visualization tools are required. We have produced such a tool, called PDFVis, that facilitates the display of probability density functions (pdfs) on a per-grid-cell basis. The density estimate from Monte-Carlo generated realizations is interactively displayed as well as parametric and non-parametric summaries of the pdf field (such as mean, median, quartiles, standard deviation, number of modes, and locations of modes). Shaded surface renderings of pdfs along a transect can also be projected onto a plane. This tool will become more useful as richer descriptions of spatial uncertainty become available.

Dungan, Jennifer L.↗

CERES ERBE-like Instantaneous TOA Estimates (ES-8) in HDF (CER_ES8_Terra-FM1_Edition1)

The ES-8 archival data product contains a 24-hour, single-satellite, instantaneous view of scanner fluxes at the top-of-atmosphere (TOA) reduced from spacecraft altitude unfiltered radiances using Earth Radiation Budget Experiment (ERBE) scanner Inversion algorithms and the ERBE shortwave (SW) and longwave (LW) Angular Distribution Models (ADMs). The ES-8 also includes the total (TOT), SW, LW, and window (WN) channel radiometric data; SW, LW, and WN unfiltered radiance values; and the ERBE scene identification for each measurement. These data are organized according to the CERES 3.3-second scan into 6.6-second records. As long as there is one valid scanner measurement within a record, the ES-8 record will be generated. The following CERES ES8 data sets are currently available: CER_ES8_TRMM-PFM_Edition1 CER_ES8_TRMM-PFM_Edition2 CER_ES8_TRMM-PFM_Transient-Ops2 CER_ES8_Terra-FM1_Edition1 CER_ES8_Terra-FM2_Edition1 CER_ES8_Terra-FM1_Edition2 CER_ES8_Terra-FM2_Edition2 CER_ES8_Aqua-FM3_Edition1 CER_ES8_Aqua-FM4_Edition1 CER_ES8_Aqua-FM3_Edition2 CER_ES8_Aqua-FM4_Edition2 CER_ES8_Aqua-FM3_Edition1-CV CER_ES8_Aqua-FM4_Edition1-CV CER_ES8_Terra-FM1_Edition1-CV CER_ES8_Terra-FM1_Edition1-CV. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1997-12-27; Stop_Date=2005-11-01] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Temporal_Resolution=1 day; Temporal_Resolution_Range=Daily - < Weekly].

TOA FLUX↗

CERES ERBE-like Instantaneous TOA Estimates (ES-8) in HDF (CER_ES8_Terra-FM2_Edition1)

The ES-8 archival data product contains a 24-hour, single-satellite, instantaneous view of scanner fluxes at the top-of-atmosphere (TOA) reduced from spacecraft altitude unfiltered radiances using Earth Radiation Budget Experiment (ERBE) scanner Inversion algorithms and the ERBE shortwave (SW) and longwave (LW) Angular Distribution Models (ADMs). The ES-8 also includes the total (TOT), SW, LW, and window (WN) channel radiometric data; SW, LW, and WN unfiltered radiance values; and the ERBE scene identification for each measurement. These data are organized according to the CERES 3.3-second scan into 6.6-second records. As long as there is one valid scanner measurement within a record, the ES-8 record will be generated. The following CERES ES8 data sets are currently available: CER_ES8_TRMM-PFM_Edition1 CER_ES8_TRMM-PFM_Edition2 CER_ES8_TRMM-PFM_Transient-Ops2 CER_ES8_Terra-FM1_Edition1 CER_ES8_Terra-FM2_Edition1 CER_ES8_Terra-FM1_Edition2 CER_ES8_Terra-FM2_Edition2 CER_ES8_Aqua-FM3_Edition1 CER_ES8_Aqua-FM4_Edition1 CER_ES8_Aqua-FM3_Edition2 CER_ES8_Aqua-FM4_Edition2 CER_ES8_Aqua-FM3_Edition1-CV CER_ES8_Aqua-FM4_Edition1-CV CER_ES8_Terra-FM1_Edition1-CV CER_ES8_Terra-FM1_Edition1-CV. [Location=GLOBAL] [Temporal_Coverage: Start_Date=1997-12-27; Stop_Date=2005-11-01] [Spatial_Coverage: Southernmost_Latitude=-90; Northernmost_Latitude=90; Westernmost_Longitude=-180; Easternmost_Longitude=180] [Data_Resolution: Temporal_Resolution=1 day; Temporal_Resolution_Range=Daily - < Weekly].

EOSDIS↗

Detection and Signal Processing for Near-Field Nanoscale Fourier Transform Infrared Spectroscopy

Researchers from a broad spectrum of scientific and engineering disciplines are increasingly using scattering-type near-field infrared spectroscopic techniques to characterize materials non-destructively with nanoscale spatial resolution. However, a sub-optimal understanding of a technique's implementation can complicate data interpretation and act as a barrier to entering the field. Here the key detection and processing steps involved in producing scattering-type near-field nanoscale Fourier transform infrared spectra (nano-FTIR) are outlined. The self-contained mathematical and experimental work derives and explains: i) how normalized complex-valued nano-FTIR spectra are generated, ii) why the real and imaginary components of spectra qualitatively relate to dispersion and absorption respectively, iii) a new and generally valid equation for spectra which can be used as a springboard for additional modeling of the scattering processes, and iv) an algebraic expression that can be used to extract an approximation to the sample's local extinction coefficient from nano-FTIR. The algebraic model for weak oscillators is validated with nano-FTIR and attenuated total reflectance Fourier transform infrared (ATR-FTIR) spectra on samples of polystyrene and Kapton and further provides a pedagogical pathway to cementing some of the technique's key qualitative attributes.

36 MATERIALS SCIENCE↗

Boundary Conditions for Diffusion-Mediated Processes within Linear Nanopores: Exact Treatment of Coupling to an Equilibrated External Fluid

In this paper, we consider a variety of diffusion-mediated processes occurring within linear nanopores, but which involve coupling to an equilibrated external fluid through adsorption and desorption. By determining adsorption and desorption rates through a set of tailored simulations, and by exploiting a spatial Markov property of the models, we develop a formulation for performing efficient pore-only simulations of these processes. Coupling to the external fluid is described exactly through appropriate nontrivial boundary conditions at the pore openings. This formalism is applied to analyze the following: (i) tracer counter permeation (TCP) where different labeled particles adsorb into opposite ends of the pore and establish a nonequilibrium steady state; (ii) tracer exchange (TE) with exchange of differently labeled particles within and outside the pore; (iii) catalytic conversion reactions where a reactant in the external fluid adsorbs into the pore and converts to a product which may desorb. The TCP analysis also generates a position-dependent generalized tracer diffusion coefficient, the form of which controls behavior in the TE and catalytic conversion processes. We focus on the regime of single-file diffusion within the pore which produces the strongest correlations and largest deviations from mean-field type behavior. Finally, behavior is quantified precisely via kinetic Monte Carlo simulations but is also captured with appropriate analytic treatments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Autonomous adaptive data acquisition for scanning hyperspectral imaging

Non-invasive and label-free spectral microscopy (spectromicroscopy) techniques can provide quantitative biochemical information complementary to genomic sequencing, transcriptomic profiling, and proteomic analyses. However, spectromicroscopy techniques generate high-dimensional data; acquisition of a single spectral image can range from tens of minutes to hours, depending on the desired spatial resolution and the image size. This substantially limits the timescales of observable transient biological processes. To address this challenge and move spectromicroscopy towards efficient real-time spatiochemical imaging, we developed a grid-less autonomous adaptive sampling method. Our method substantially decreases image acquisition time while increasing sampling density in regions of steeper physico-chemical gradients. When implemented with scanning Fourier Transform infrared spectromicroscopy experiments, this grid-less adaptive sampling approach outperformed standard uniform grid sampling in a two-component chemical model system and in a complex biological sample, Caenorhabditis elegans. We quantitatively and qualitatively assess the efficiency of data acquisition using performance metrics and multivariate infrared spectral analysis, respectively.

47 OTHER INSTRUMENTATION↗