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All sourcesNASA NTRSDOE OSTI
NASA NTRS2014

Column Aerosol Optical Properties and Aerosol Radiative Forcing During a Serious Haze-Fog Month over North China Plain in 2013 Based on Ground-Based Sunphotometer Measurements

In January 2013, North China Plain experienced several serious haze events. Cimel sunphotometer measurements at seven sites over rural, suburban and urban regions of North China Plain from 1 to 30 January 2013 were used to further our understanding of spatial-temporal variation of aerosol optical parameters and aerosol radiative forcing (ARF). It was found that Aerosol Optical Depth at 500 nm (AOD500nm) during non-pollution periods at all stations was lower than 0.30 and increased significantly to greater than 1.00 as pollution events developed. The Angstrom exponent (Alpha) was larger than 0.80 for all stations most of the time. AOD500nm averages increased from north to south during both polluted and non-polluted periods on the three urban sites in Beijing. The fine mode AOD during pollution periods is about a factor of 2.5 times larger than that during the non-pollution period at urban sites but a factor of 5.0 at suburban and rural sites. The fine mode fraction of AOD675nm was higher than 80% for all sites during January 2013. The absorption AOD675nm at rural sites was only about 0.01 during pollution periods, while 0.03-0.07 and 0.01-0.03 during pollution and non-pollution periods at other sites, respectively. Single scattering albedo varied between 0.87 and 0.95 during January 2013 over North China Plain. The size distribution showed an obvious tri-peak pattern during the most serious period. The fine mode effective radius in the pollution period was about 0.01-0.08 microns larger than during nonpollution periods, while the coarse mode radius in pollution periods was about 0.06-0.38 microns less than that during nonpollution periods. The total, fine and coarse mode particle volumes varied by about 0.06-0.34 cu microns, 0.03-0.23 cu microns, and 0.03-0.10 cu microns, respectively, throughout January 2013. During the most intense period (1-16 January), ARF at the surface exceeded −50W/sq m, −180W/sq m, and −200W/sq m at rural, suburban, and urban sites, respectively. The ARF readings at the top of the atmosphere were approximately −30W/sq m in rural and −40-60W/sq m in urban areas.

Atmosphere↗
DOE OSTI2025

Nuclear Waste Tank Emission Contributions to Particle Size Distribution

Pollutants from anthropogenic activities including industrial processes are ubiquitous to the environment. To understand the impact from industrial aerosol on climate and human health, industrial aerosol needs to be better characterized. Here, in this study, particle number concentrations were used as a proxy for atmospheric pollutants, which include both particles and gases. Particle concentration and size distribution were measured using a scanning mobility particle sizer (SMPS) approximately 4.5 km from primary industrial areas at the Savannah River Site in Aiken, SC. Industrial areas include numerous nuclear waste storage and processing tanks. The SMPS data were divided into two groups depending on the wind direction measured onsite to categorize transport from the industrial area or from elsewhere. Industrial contributions were found to have a higher concentration of particles with sizes less than 200 nm, 859 ± 564 cm -3 , in comparison to non-industrial attributed particles, 733 ± 495 cm -3 on average from March-July 2021. For sizes larger than 200 nm, industrial and non-industrial particles have a similar concentration, 89 ± 59 cm -3 and 99 ± 61 cm -3 , with non-industrial concentrations being slightly larger. To confirm that industrial particles could travel to the sampling location, air dispersion modeling was completed for specific case studies during the sampling period. The atmospheric dispersion modeling results confirmed that particles released at the industrial areas reached the sampling location when the wind direction was favorable for transport from the industrial areas. The greater concentration of smaller-sized particles in industrial emissions has implications for typical particulate measurements (PM2.5), heath impacts, and climatological influences.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
NASA NTRSDate not supplied

Propulsive trajectory optimization to minimize surface contamination

MOTIVATION: We present an optimization technique for propulsive vehicles that autonomously minimizes contamination during surface approach and landing. In addition to short-range hoppers, the optimization technique is also fully applicable to traditional orbit-to-surface landers. This study addresses scenarios where surface alterations from propulsion events are counterproductive or hazardous to the mission objectives. This is of immediate interest for landers (whether human or robotic), that may rely on pristine soils collected in the immediate vicinity of landing sites to accomplish science investigations, mining, or ISRU surface operations. Such missions are averse to various surface-plume interactions such as thermal scoring, physical agitation, and contamination. The capability can be applied with minimal impact to the baseline mission concept. METHODS: Optimization algorithms have been developed to calculate descent trajectories and maneuvers, thrust magnitude, and attitude for various mission cases. These parameters are determined as an optimal solution when minimizing either fuel consumption, contamination deposited at the landing site, or some weighted combination of both. Among constraints imposed on the solution, we examined pitch rate, vertical takeoff and vertical landing (VTVL) requirements, size of the contamination zone, and minimum ground clearance during flight. This tool provides unique, non-intuitive solutions and can be a valuable resource for mission planners. RESULTS: A variety of agile trajectory solutions were obtained, each yielding different reductions in landing site contamination and corresponding to only modest increases in fuel consumption. Several optimal trajectories were obtained by varying the contamination weight in the fitness function. As expected, when the contamination weight is zero, the trajectory appears close to parabolic since the optimization scheme only attempts to minimize for fuel utilization, yielding essentially, the expected ballistic trajectory. Notably for contamination weights greater than zero, trajectory inflections are observed in the descent phase, which manifests as hovering or additional, mini “pseudo hops” before the final touchdown. A trajectory inflection is characterized by arresting the majority of the spacecraft vertical velocity component at a coordinate outside of the landing target, and without violating ground clearance constraints. FUTURE WORK: Our optimization technique is ready for laboratory or field demonstrations to validate the sophisticated maneuvering solutions obtained for fuel optimization and surface preservation. An appropriate testbed would validate the optimal guidance algorithms, the navigation system, and sensor suite by emulating vehicle flight in closed loop robotic tests. Critically, these algorithms could then be ported to flight software for implementation.

surface contamination↗
NASA NTRS2012

Secure Peer-to-Peer Networks for Scientific Information Sharing

The most common means of remote scientific collaboration today includes the trio of e-mail for electronic communication, FTP for file sharing, and personalized Web sites for dissemination of papers and research results. With the growth of broadband Internet, there has been a desire to share large files (movies, files, scientific data files) over the Internet. Email has limits on the size of files that can be attached and transmitted. FTP is often used to share large files, but this requires the user to set up an FTP site for which it is hard to set group privileges, it is not straightforward for everyone, and the content is not searchable. Peer-to-peer technology (P2P), which has been overwhelmingly successful in popular content distribution, is the basis for development of a scientific collaboratory called Scientific Peer Network (SciPerNet). This technology combines social networking with P2P file sharing. SciPerNet will be a standalone application, written in Java and Swing, thus insuring portability to a number of different platforms. Some of the features include user authentication, search capability, seamless integration with a data center, the ability to create groups and social networks, and on-line chat. In contrast to P2P networks such as Gnutella, Bit Torrent, and others, SciPerNet incorporates three design elements that are critical to application of P2P for scientific purposes: User authentication, Data integrity validation, Reliable searching SciPerNet also provides a complementary solution to virtual observatories by enabling distributed collaboration and sharing of downloaded and/or processed data among scientists. This will, in turn, increase scientific returns from NASA missions. As such, SciPerNet can serve a two-fold purpose for NASA: a cost-savings software as well as a productivity tool for scientists working with data from NASA missions.

Karimabadi, Homa↗
NASA NTRS2009

Spatial and Temporal Extrapolation of Disdrometer Size Distributions Based on a Lagrangian Trajectory Model of Falling Rain

Methodologies to improve disdrometer processing, loosely based on mathematical techniques common to the field of particle flow and fluid mechanics, are examined and tested. The inclusion of advection and vertical wind field estimates appear to produce significantly improved results in a Lagrangian hydrometeor trajectory model, in spite of very strict assumptions of noninteracting hydrometeors, constant vertical air velocity, and time independent advection during the scan time interval. Wind field data can be extracted from each radar elevation scan by plotting and analyzing reflectivity contours over the disdrometer site and by collecting the radar radial velocity data to obtain estimates of advection. Specific regions of disdrometer spectra (drop size versus time) often exhibit strong gravitational sorting signatures, from which estimates of vertical velocity can be extracted. These independent wind field estimates become inputs and initial conditions to the Lagrangian trajectory simulation of falling hydrometeors.

Lane, John E.↗
DOE OSTI2021

Time Series Surface Temperature of Variably Inundated Sediment across 30 North American Rivers

This dataset supports a broader study examining drivers of organic matter chemistry in variably inundated hyporheic zone sediments and further linking that chemistry to biogeochemical rates. The dataset provides surficial temperature time series that can be used to infer the dynamics of inundation prior to the collection of sediments. Those inferred inundation histories can then be used to help interpret variation in the organic matter chemistry. There are related data that will be published, such as FTICR-MS data on organic matter chemistry and sediment moisture. A data package with those data is forthcoming.This dataset is comprised of two folders: (1) ECA1_iButtonData and (2) ECA1_SitePhotos. The ECA1_iButtonData folder contains: (1) file-level metadata, (2) data dictionary, (3) field metadata, (4) installation methods, (5) iButton deployment protocol, (6) readme, and (7) folder of individual time series temperature csv files for each iButton sensor deployed. The ECA1_SitePhotos folder contains site photographs taken in the field. All files are .csv, .txt, .pdf, or .jpg.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Solar Resource and Infrastructure Assessment for the Town of Blandford

This report is a solar resource and infrastructure assessment for the town of Blandford, Massachusetts. The assessment was funded through the National Renewable Energy Laboratory, Solar Energy Innovation Network (NREL SEIN) Solar in Rural Communities Program, as part of a project to develop a Community-Informed Proactive Solar Siting and Financing Model. As a first step, the project lead organization, UMass Clean Energy Extension prepared an assessment of existing infrastructure, resources, and potential solar development opportunities in participating municipalities, including Blandford. This assessment was designed to describe relevant bylaws and infrastructure within the town, identify the types of solar facilities that could be developed, and quantify the total space available for each type of facility. In this report, we reviewed existing electricity grid infrastructure, and the potential to interconnect additional solar facilities. At the present time, most distribution lines providing electricity to Blandford are over-saturated with authorized and proposed solar projects, and cannot accommodate additional solar projects to interconnect to the grid. We can expect significant upgrades to these circuits, if any of the in-process projects are to proceed, which might then free up additional capacity for new projects. There is one circuit which serves a section of North Blandford Road that is not over-saturated; for the immediate future, this is the most cost-effective location for new large-scale projects to be sited. Meanwhile, most three-phase lines could likely accommodate additional small-to-medium scale projects (under 200 kW), and most single-phase lines could likely accommodate additional projects under 50 kW in size. This description represents the local grid infrastructure as it is - planning for future scenarios of development could include recommendations for areas of grid infrastructure improvement to allow siting of distributed generation in preferred locations. Future scenarios may also include the addition energy storage and other "non-wires alternatives."

14 SOLAR ENERGY↗
NASA NTRS1998

Selection and Assessment of Predictions of the Mars Pathfinder Landing Site

The successful landing of the Mars Pathfinder spacecraft on Mars allows the review of the process of selecting the landing site and assessing predictions made for the site based on Viking and Earth-based data. Selection of the landing site for Mars Pathfinder was a two-phase process. The first phase took place from October 1993 to June 1994 and involved: initial identification of engineering constraints, definition of environmental conditions at the site for spacecraft design, and evaluation of the scientific potential of different landing sites. This phase culminated with the first "Mars Pathfinder Landing Site Workshop", held at the Lunar and Planetary Institute in Houston, Texas on April 18-19, 1994, in which suggested approaches and landing sites were solicited from the entire scientific community. A preliminary site was selected by the project for design purposes in June 1994. The second phase took place from July 1994 to March 1996 and involved: developing criteria for evaluating site safety using images and remote sensing data, testing of the spacecraft and landing subsystems (with design improvements) to establish quantitative engineering constraints on landing site characteristics, evaluating all potential landing sites on Mars, and certification of the site by the project. This phase included a second open workshop, "Mars Pathfinder Landing Site Workshop II: Characteristics of the Ares Vallis Region and Field Trips in the Channeled Scabland, Washington" held in Spokane and Moses Lake September 24-30, 1995 and formal acceptance of the site by NASA Headquarters. Engineering constraints on Pathfinder landing sites were developed from the initial design of the spacecraft and the entry, descent and landing scenario. The site must be within 5 degrees of the subsolar latitude at the time of landing (15N for maximum solar power and flexible communications with Earth. It also must be below 0 km elevation to enable enough time for the parachute to bring the lander to the proper terminal velocity for landing. The entire landing ellipse, which is 70 km by 200 km due to navigational, ephemeris and atmospheric uncertainties, must be free of steep slopes, scarps and obvious hazards in Viking orbiter images, have acceptable radar reflectivity, moderate rock abundances and have little or no dust. Scientific considerations of the Mars Pathfinder payload and mission indicate that analyses of "grab bag" samples at the mouths of outflow channels can offer a first order assessment of a variety of rock types on Mars. Highland sites offer the advantage of in situ analysis of ancient rocks on Mars that record crustal differentiation and the nature of the early environment. Dark gray sites offer the potential of analyzing unweathered and unoxidized materials. Following a general assessment of the safety of different sites, a preliminary selection of a "grab bag" site was made. This site, Ares Vallis, is near the mouth of an outflow channel that may contain ancient Noachian terrain, Hesperian ridged plains, and reworked channel materials. All potential landing sites on Mars that met basic safety criteria were analyzed in detail. Sites (100 by 200 km target ellipses) were considered safe if they were below 0 km elevation, were free of obvious hazards (high relief surface features) in high-resolution (< 50 m/pixel) Viking orbiter images and had acceptable reflectivity and roughness at radar wavelengths, high thermal inertia, moderate rock abundance, low red to violet ratio, and low albedo. Only 4 sites on Mars met all the above criteria, which included 1995 opposition 3.5 cm delay-Doppler radar data. Complete data were evaluated for 7 sites and the Viking landing sites for comparison for all the above criteria as well as crater abundance, hill and mesa abundance, slopes over meter to kilometer scales, low altitude winds (from global circulation models and slopes), the size-frequency distribution of large rocks, as well as rover trafficability and science potential. Discussion of potential hazards at Ares Vallis using a variety of data sets (including radar) at a second open workshop, indicated this site cannot be shown to be any more hazardous than the Viking landing sites. Field trips to the Channeled Scabland and the Ephrata Fan, analogs for Ares Vallis and the landing site, respectively, provided valuable insight into possible geologic processes and potential surface characteristics. Three sites met all the data requirements and safety criteria for landing Pathfinder. Ares Vallis was selected by the project because it appeared acceptably safe (although it appeared to have greater rock abundances than other sites, its elevation was likely the best known) and offered the prospect of analyzing a variety of rock types expected to be deposited by catastrophic floods, which would enable addressing first-order scientific questions such as differentiation of the crust, the development of weathering products, and the nature of the early martian environment and its subsequent evolution. The selection was reviewed by an external board at a number of meetings and accepted, and the site was approved by NASA Headquarters. Data gathered by the Pathfinder lander' and rover provides the opportunity to test the predictions made for the site in the selection process based on remote observations from Earth, orbit, and the surface. The discussion below is taken from Golombek et al. to which the reader is referred for a more complete discussion and a complete list of references, which are omitted here for brevity. Many characteristics of the landing site are consistent with its being shaped and deposited by the Ares and Tiu catastrophic floods. The rocky surface is consistent a depositional plain comprising semi-rounded pebbles, cobbles and tabular boulders (some of which appear imbricated and/or inclined in the direction of flow) that appear similar to depositional plains in terrestrial catastrophic floods. The Twin Peaks appear to be streamlined hills in lander images, which is consistent with interpretations of larger hills in Viking orbiter images of the region that suggest the lander is on the flank of a broad, gentle ridge trending northeast from Twin Peaks. This ridge, which is the rise to the north of the lander, is aligned in the downstream direction from the Ares and Tiu Valles floods, and may be a debris tail deposited in the wake of the Twin Peaks. Channels visible throughout the scene may be a result of late stage drainage. As predicted by delay-Doppler radar measurements and tracking results, the average elevation of the center of the site was about the same as Viking Lander I relative to the 6.1 mbar geoid. The Doppler tracking and two-way ranging estimate for the elevation of the spacecraft is only 45 in lower than the Viking I Lander and within 100 in of that expected, which is within the uncertainties of the measurements. After landing, surface pressures and winds (5-10 m/s) were found to be similar to expectations based on Viking data, although temperatures were about 10 K warmer. The temperature profile below 50 km was also roughly 20 K warmer. As a result, predicted densities were 5% higher near the surface and up to 40% lower at 50 km but within the entry, descent and landing design margins. The populations of craters and small hills and the slopes of the hills measured in high-resolution (38 m/pixel) Viking orbiter images and the radar derived slopes of the landing site are all consistent with observations of these properties in the lander images. A rocky surface was expected from Viking Infra-Red Thermal Mapper (IRTM) observations and comparisons with the Viking landing sites. The observed cumulative fraction of area covered by rocks with diameters greater than 3 cm and heights greater than 0.5 in (potentially hazardous to landing) at Ares is similar to that predicted by IRTM observations and models of Viking lander and Earth analog rock size-frequency distributions. The IRTM prediction postulated an effective thermal inertia of 30 (10(exp -3) cgs units - cal/cubic cm/s(exp 0.5)/K) for the rock population, but we obtain a slightly different effective thermal inertia for the actual rock population. The validity of interpretations of radar echoes prior to landing are supported by a simple radar echo model, an estimate of the reflectivity of the soil from its bulk density, and the fraction of area covered by rocks. In the calculations, the soil produces the quasi-specular echo and the rocks produce the diffuse echo. The derived quasispecular cross section is comparable to the cross-sections and reflectivities reported for 3.5-cm wavelength observations. The model yields a diffuse echo that is modestly larger than the polarized diffuse echo reported for 3.5-cm wavelength observations. At 12.5-cm wavelength, similar rock populations at Ares and the Viking I site were expected because the diffuse echoes are comparable, but the large normal reflectivities suggests that bulk densities of the soils at depth are greater than those at the surface. We also obtain a fine-component inertia near 8.4 which agrees with the fine-component inertia of 8.7 (in 10(exp -3) cgs units) estimated from thermal observations from orbit by the IRTM; for this estimate, we used a bulk thermal inertia of 10.4 for the landing site, an effective thermal inertia near 40 (10(exp -3) cgs units) for the rock population, and a graphical representation of Kieffer's model. Color and albedo data for Ares suggested surfaces of materials at Ares Vallis would be relatively dust free or unweathered prior to landing compared with the materials at the Viking landing sites. This suggestion is supported by the abundance of relatively dark-gray rocks at Ares and their relative rarity at the Viking landing sites, where rocks are commonly coated with bright red dust. Finally, the 40 km long Ephrata Fan of the Channeled Scabland in Washington state, which was deposited where c

Golombek, M. P.↗
DOE OSTI2024

Anthropogenic extremely low volatility organics (ELVOCs) Govern the Growth of Molecular Clusters over the Southern Great Plains during the Springtime

New particle formation (NPF) and growth govern cloud condensation nuclei (CCN) concentrations in many regions. The mechanisms governing the nucleation of molecular clusters vary substantially in different regions of the atmosphere. Additionally, the growth of these clusters from ~2 to 20 nm sizes is often governed by the availability of extremely low volatility organic vapours (ELVOCs). While the pathways to ELVOC formation from the oxidation of biogenic monoterpenes with ozone is better understood, the chemical and mechanistic pathways for ELVOC formation from oxidation of anthropogenic organics are not well understood. We integrate measurements and three-dimensional regional model simulations with the Weather Research and Forecasting Model coupled to chemistry (WRF-Chem) to understand the processes governing new particle formation and growth and secondary organic aerosol (SOA) formation during the Holistic Interactions of Shallow Clouds, Aerosols and Land Ecosystems (HI-SCALE) field campaign at the Southern Great Plains (SGP) observatory in Oklahoma, and contrast it with a site within the Bankhead National Forest (BNF), Alabama in Southeast USA, where 5-year long measurements will begin in 2024. Simulations show that nucleation rates are at least an order of magnitude higher at SGP compared to BNF during the springtime days (April 28 and May 14, 2016), largely due to lower H2SO4 concentrations at BNF, which are needed for nucleation. In addition, the larger CS at BNF (compared to SGP) increase the loss of molecular clusters by coagulation to pre-existing particles. Among the 8 different nucleation mechanisms in WRF-Chem, we find that the amine+H2SO4 nucleation mechanism dominates at the SGP site, while the pure organic ion induced nucleation mechanism dominates over BNF. Through various WRF-Chem sensitivity simulations, we find that anthropogenic ELVOCs are critical for explaining the growth of newly formed particles and the resulting number size distribution observed near the surface at the SGP site during the daytime. In addition, we show that treating organic particles as semisolid, with strong diffusion-limited uptake of organic vapours, brings model predictions into closer agreement with the observed evolution of particle size distribution. Simulations also predict that anthropogenic SOA, formed by the oxidation of aromatic volatile organic compounds (VOCs), is the dominant organic aerosol component at SGP, while biogenic SOA dominates particle composition at the BNF site in Southeast USA on these days.

Shrivastava, ManishKumar B.↗
NASA NTRS1988

Canopy reflectance modeling in a tropical wooded grassland

The Li-Strahler canopy reflectance model, driven by LANDSAT Thematic Mapper (TM) data, provided regional estimates of tree size and density in two bioclimatic zones in Africa. This model exploits tree geometry in an inversion technique to predict average tree size and density from reflectance data using a few simple patameters measured in the field and in the imagery. Reflectance properties of the trees were measured in the study sites using a pole-mounted radiometer. The measurements showed that the assumptions of the simple Li-Strahler model are reasonable for these woodlands. The field radiometer measurements were used to calculate the normalized difference vegetation index (NDVI), and the integrated NDVI over the canopy was related to crown volume. Predictions of tree size and density from the canopy model were used with allometric equations from the literature to estimate woody biomass and potential foliar biomass for the sites and for the regions. Estimates were compared with independent measurements made in the Sahelian sites, and to typical values from the literature for these regions and for similar woodlands. In order to apply the inversion procedure regionally, an area must first be stratified into woodland cover classes, and dry-season TM data were used to generate a stratum map of the study areas with reasonable accuracy. The method used was unsupervised classification of multi-data principal components images.

Simonett, David↗
NASA NTRS2022

Observations of Particle Number Size Distributions and New Particle Formation in Six Indian Locations

Atmospheric new particle formation (NPF) is a crucial process driving aerosol number concentrations in the atmosphere; it can significantly impact the evolution of atmospheric aerosol and cloud processes. This study analyses at least 1 year of asynchronous particle number size distributions from six different locations in India. We also analyze the frequency of NPF and its contribution to cloud condensation nuclei (CCN) concentrations. We found that the NPF frequency has a considerable seasonal variability. At the measurement sites analyzed in this study, NPF frequently occurs in March–May (pre-monsoon, about 21 % of the days) and is the least common in October–November (post-monsoon, about 7 % of the days). Considering the NPF events in all locations, the particle formation rate (J_(SDS)) varied by more than 2 orders of magnitude (0.001–0.6 /cu.cm s) and the growth rate between the smallest detectable size and 25 nm (GR_(SDS-25 nm)) by about 3 orders of magnitude (0.2–17.2 nm/h). We found that JSDS was higher by nearly 1 order of magnitude during NPF events in urban areas than mountain sites. GRSDS did not show a systematic difference. Our results showed that NPF events could significantly modulate the shape of particle number size distributions and CCN concentrations in India. The contribution of a given NPF event to CCN concentrations was the highest in urban locations (4.3 × 10^(3) /cu.cm per event and 1.2 × 10^(3)/cu.cm per event for 50 and 100 nm, respectively) as compared to mountain background sites (2.7 × 10^(3)/cu.cm per event and 1.0 × 10^(3)/cu.cm per event, respectively). We emphasize that the physical and chemical pathways responsible for NPF and factors that control its contribution to CCN production require in situ field observations using recent advances in aerosol and its precursor gaseous measurement techniques.

particle number size distributions↗
DOE OSTI2021

Patch selection by bumble bees navigating discontinuous landscapes

Pollen and nectar resources are unevenly distributed over space and bees must make routing decisions when navigating patchy resources. Determining the patch selection process used by bees is crucial to understanding bee foraging over discontinuous landscapes. To elucidate this process, we developed four distinct probability models of bee movement where the size and the distance to the patch determined the attractiveness of a patch. A field experiment with a center patch and four peripheral patches of two distinct sizes and distances from the center was set up in two configurations. Empirical transition probabilities from the center to each peripheral patch were obtained at two sites and two years. The best model was identified by comparing observed and predicted transition probabilities, where predicted values were obtained by incorporating the spatial dimensions of the field experiment into each model’s mathematical expression. Bumble bees used both patch size and isolation distance when selecting a patch and could assess the total amount of resources available in a patch. Bumble bees prefer large, nearby patches. This information will facilitate the development of a predictive framework to the study of bee movement and of models that predict the movement of genetically engineered pollen in bee-pollinated crops.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS2024

A Physics-Based Antarctic Melt Detection Technique: Combining Advanced Microwave Scanning Radiometer 2, Radiative-Transfer Modeling, and Firn Modeling

Surface melt on ice shelves has been linked to hydrofracture and subsequent ice shelf breakup. Since the 1990s, scientists have been using microwave radiometers to detect melt on ice shelves and ice sheets by applying various statistical thresholding techniques to identify significant increases in brightness temperature that are associated with melt. In this study, instead of using a fixed threshold, we force the Snow Radiative Transfer model (SMRT) with outputs from the Community Firn Model (CFM) to create a dynamic, physics-based threshold for melt. In the process, we also combine our method with statistical thresholding techniques and produce microwave grain size information in the process. We run this “Hybrid Method” across the Larsen C ice shelf as well as thirteen sites on the Antarctic Ice Sheet. Melt and non-melt days from the Hybrid Method and three statistical thresholding techniques match with surface energy balance within 94±1%; the effect of melt on the passive microwave is mostly binary and thus largely detectable by statistical thresholding techniques as well as physics-based techniques. Rather than always replacing statistical thresholding techniques with the Hybrid Method, we recommend using the Hybrid Method in studies where melt volume or grain size is of interest. In this study, we show that the Hybrid Method can be used to (a) model dry snow brightness temperatures of Antarctic snow and (b) derive a measure of grain size; therefore, it is an important step forwards towards using firn and radiative transfer modeling to quantify melt rather than to simply detect melt days.

Marissa E Dattler↗
DOE OSTI2025

Blocky Selective Postpolymerization C–H Functionalization of Polyolefins

C–H functionalization of commodity polyolefins affords functional materials derived from a high-volume, low-cost resource. However, current postpolymerization modification strategies result in randomly distributed functionalization along the length of the polymer backbone, which has a negative impact on the crystallinity of the resultant polymers, and thus the thermomechanical properties. Here, we demonstrate an amidyl radical mediated C–H functionalization of polyolefins to access blocky microstructures, which exhibit a higher crystalline fraction, larger crystallite size, and improved mechanical properties compared to their randomly functionalized analogues. Taking inspiration from the site-selective C–H functionalization of small molecules, we leverage the steric protection provided by crystallites and target polymer functionalization to amorphous domains in a semicrystalline polyolefin gel. The beneficial outcomes of blocky functionalization are independent of the identity of the pendant functional group that is installed through functionalization. Here, the decoupling of functional group incorporation and crystallinity highlights the promise in accessing nonrandom microstructures through selective functionalization to circumvent traditional tradeoffs in postpolymerization modification, with potential impact in advanced materials and upcycling plastic waste.

Neidhart, Eliza K. [The University of North Caroli↗
DOE OSTI2025

Monolayer TiS 2 Nanosheets on Au(111)–Structural Characterization and Effect of Edge Stability for Shape Control

Transition metal dichalcogenides are promising alternatives to noble metal catalysts, e.g., for (photo-)activation of greenhouse gases or hydrogenations. Herein, a direct synthetic route for 2D TiS 2 nanosheets on Au(111) by titanium deposition in the presence of a mild, organic, non-oxidizing sulfur source is presented. High-resolution scanning tunneling microscopy (STM) is used to gain atomic-level insights into the TiS 2 nanosheet morphology. In contrast to the literature, this protocol gains mostly hexagonal and truncated triangular nanosheets with an increased edge contrast in STM, analog to metallic edge states in MoS 2 . Synchrotron-based photoelectron spectroscopy allows insights into compositional details, specifically to distinguish different S sites on the TiS 2 sheets and other S species on the sample. Further, a minimum size is identified (9 S atoms side length), which underlines the importance of moiré reconstructions for stress relief. The TiS 2 sheets coexist with [Au]Ti 1 S 3 clusters, in which a single gold atom is alloyed into the surface and capped by three S atoms. Together with the finding of a critical sheet size, this points toward on-surface Ostwald ripening as a relevant process in the sheet formation. Ab-initio calculations (density functional theory) underscore that the chemical potential of S is an essential descriptor to maintain shape control.

2D nanomaterials↗
DOE OSTI2020

Atmospheric ice nuclei concentration measurements over a high altitude-station in the Western Ghats, India

Mixed-phase and ice clouds play a significant role in modulating the Indian summer monsoon rainfall, and modeling studies suggest that inaccurate representation of ice nucleating particles (INP) is one of the factors, which have resulted in a deficiency in the prediction of cloud properties and hydrological cycle. We do not understand the ice nucleation mechanisms to represent the ice formation in the model, and therefore more INP measurements at various supercooled temperatures are needed. This study reports for the first time real-time INP concentration at a high altitude station in the Western Ghats region of India, and these results will be used to constrain the ice nucleation parameterizations in the model. The variation of INP for any particular cloud condition can have strong microphysical responses of mixed-phase precipitation formation processes. Also, to improve the representation of heterogeneous ice nucleation, INP measurements of various types of aerosols commonly observed over the Indian region are needed. This study presents, the INP concentrations and daily concentration of non-refractory chemical composition (organics, sulfate, nitrate, ammonium, and chloride), cloud condensation nuclei (CCN), and aerosol size distribution. Spectrometer for Ice Nuclei (SPIN) was operated to measure INP concentration at the mountain site from August to December 2018. INP measurements were performed at three different temperatures (-25, -30, and - 34 °C) in the immersion freezing mode relevant for mixed-phase cloud conditions. The average INP concentrations approximately varied from 0.18 to 12.4 L-1, 0.39 to 24 L-1, 1.1 to 40.2 L-1 at -25, -30, and - 34 °C, respectively. These concentrations are within the concentrations reported in the literature from different regions across the globe. The air mass back trajectory analysis showed that continental air mass contains more INP compared to maritime air mass. The information on INP concentration and chemical characteristics of aerosol will help to improve heterogeneous ice nucleation parameterization in numerical models.

Kumar, Anil V.↗
DOE OSTI2020

Stochastically Realized Observables for Excitonic Molecular Aggregates

In this work, we show that a stochastic approach enables calculations of the optical properties of large 2-dimensional and nanotubular excitonic molecular aggregates. Previous studies of such systems relied on numerically diagonalizing the dense and disordered Frenkel Hamiltonian, which scales approximately as $\mathcal{O}$($N$ 3 ) for $N$ dye molecules. Our approach scales much more efficiently as $\mathcal{O}$($N$ log($N$)), enabling quick study of systems with a million of coupled molecules on the micrometer size scale. We calculate several important experimental observables, including the optical absorption spectrum and density of states, and develop a stochastic formalism for the participation ratio. Quantitative agreement with traditional matrix diagonalization methods is demonstrated for both small- and intermediate-size systems. The stochastic methodology enables the study of the effects of spatial-correlation in site energies on the optical signatures of large 2D aggregates. Our results demonstrate that stochastic methods present a path forward for screening structural parameters and validating experiments and theoretical predictions in large excitonic aggregates.

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

From Structure to Function: Zn/Mn-Modified Maghemite as an Advanced Nanoplatform for Magnetic Hyperthermia and Radionuclide Therapy

The development of nanoplatforms capable of efficient heat generation and stable radionuclide delivery is essential for effective bimodal cancer therapy. Here, in this study, binary (Fe–M) and ternary (Fe–M–M′) metal oxide nanoparticles were synthesized via a polyol method optimized to produce flower-like γ-Fe 2 O 3 (maghemite) structures, with M and M′ representing Zn and/or Mn. Comprehensive structural and magnetic characterization was conducted to explain the relationship between composition, defect structure, and hyperthermic performance. The analyses revealed that cation substitution induced an Fe-site vacancy, primarily at octahedral positions, leading to local structural distortions, as confirmed by powder X-ray diffraction and pair distribution function analysis. The optimized composition, with Zn/Mn/Fe = 0.040:0.182:1, exhibited the highest concentration of vacancies and structural disorder. These vacancies altered the bonding environment, enhancing magnetic interactions at tetrahedral sites while weakening those at the octahedral positions. The resulting multicore nanoflowers (20–63 nm; core size 13–18 nm) displayed strong heating performance, with intrinsic loss power ranging from 0.34 to 5.77 nHm 2 kg –1 . The optimized sample achieved a temperature increase of 30 °C within 2 min and a specific absorption rate of 369 W g –1 . This composition was further coated with citrate (CA) and successfully radiolabeled with 177 Lu, achieving a radiolabeling yield of 92.7% and excellent stability, thus forming a robust nanoplatform for combined magnetic hyperthermia and radionuclide therapy. Biological evaluation of the optimized S5 composition revealed selective cytotoxicity toward HeLa and LS174 cells, while toxicity was significantly lower to A549, A375, and normal MRC-5 cells. Citrate coating of S5 nanoparticles (S5@CA) drastically reduced their cytotoxicity across all tested cell lines (IC 50 > 200 μg mL –1 ), confirming their enhanced biocompatibility for therapeutic applications. In HeLa cells subjected to magnetic hyperthermia, the viability decreased to approximately 84% after 30 min and 61% after 60 min of treatment, demonstrating the sustained hyperthermic effect at a controlled working temperature of 48 °C. These results underscore the effectiveness of cation substitution and vacancy engineering in tailoring the functional properties of maghemite-based nanomaterials for advanced multimodal cancer therapies.

36 MATERIALS SCIENCE↗