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

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NASA NTRS2014

Further Investigation Into the Use of Laser Surface Preparation of Ti-6Al-4V Alloy for Adhesive Bonding

Adhesive bonding offers many advantages over mechanical fastening, but requires robust materials and processing methodologies before it can be incorporated in primary structures for aerospace applications. Surface preparation is widely recognized as one of the key steps to producing robust and predictable bonds. This report documents an ongoing investigation of a surface preparation technique based on Nd:YAG laser ablation as a replacement for the chemical etch and/or abrasive processes currently applied to Ti-6Al-4V alloys. Laser ablation imparts both topographical and chemical changes to a surface that can lead to increased bond durability. A laser based process provides an alternative to chemical-immersion, manual abrasion, and grit blast process steps which are expensive, hazardous, environmentally unfriendly, and less precise. In addition, laser ablation is amenable to process automation, which can improve reproducibility to meet quality standards for surface preparation. An update on work involving adhesive property testing, surface characterization, surface stability, and the effect of laser surface treatment on fatigue behavior is presented. Based on the tests conducted, laser surface treatment is a viable replacement for the immersion chemical surface treatment processes. Testing also showed that the fatigue behavior of the Ti-6Al-4V alloy is comparable for surfaces treated with either laser ablation or chemical surface treatment.

Palmieri, Frank L.↗
NASA NTRS2020

Comparison of Surface Fluxes Derived from CYGNSS and Simulated by WRF Model: An MJO Case Study

This study focuses on ocean surface fluxes, mainly the latent heat flux, and their impact on MJO propagation and associated precipitation structures over the Indian Ocean and Maritime Continent. The Coupled-Ocean-Atmosphere-Wave-Sediment Transport (COAWST) model is used to simulate two MJO events during the 2017-2018 season: the December 10 - January 20, 2017 case, which maintained its strong precipitation signal over the Maritime Continent, and the March 1 - 20, 2018 case, which was weaker and did not propagate through the Maritime Continent. Both simulated MJO events show positive biases in surface rainfall compared with GPM IMERG data. During the MJO suppressed phase, the simulations rain more often than the observations. During the active phase, the westward propagating precipitation structures are more organized and much stronger compared with the observations, sometimes forming westward propagating cyclones that weakened the eastward precipitation signals. Two aspects of the surface flux interactions are investigated: the impact of the domain mean surface fluxes, and the impact of storm scale circulations and their interactions with local surface fluxes. Both aspects affect water vapor budget, atmosphere instability and mean flow, through which convection initiation, organization, and propagation are influenced. Model sensitivity tests with different radiation, microphysics, PBL schemes and nudging schemes indicate that in the control simulations, higher SST and surface fluxes, especially during the suppressed period, are the main reason of rainfall overestimation compared with IMERG data. The strong westward propagating signals are caused by both increased atmosphere instability and reduced mean wind shear. Unfortunately, the small differences in mean SST and surface fluxes between different model sensitivity tests are all within the satellite observation error margin, and cannot be directly corroborated by observations. One of the advantages of CYGNSS satellites is that they observe ocean surface wind and heat fluxes underneath strong rainfall events such as the convective systems associated with MJO active phases. Currently we are comparing CYGNSS level 2 surface fluxes retrievals and the model simulations in order to better understand the second aspect of the MJO and surface fluxes interactions, and how this affects MJO strengths and propagations. The interactive atmosphere-ocean-wave model also provides cases that directly comparing satellite observables (the bistatic radar cross section) and the model simulations (through CYGNSS satellite simulator). These discrepancies are more prominent in coupled ocean simulations, mainly due to higher SST and enhanced surface fluxes.

Li, Xiaowen↗
NASA NTRS2020

Using Simulated Micrometeoroid Impacts to Understand the Progressive Space Weathering of the Surface of Mercury

The surfaces of airless bodies such as Mercury are continually modified by space weathering, which is driven by micrometeoroid impacts and solar wind irradiation. Space weathering alters the chemical composition, microstructure, and spectral properties of surface regolith. In lunar and ordinarychondritic style space weathering, these processes affect the reflectance properties by darkening (lowering of reflectance), reddening (increasing reflectance with increasing wavelength), and attenuation of characteristic absorption features. These optical changes are driven by the production of nanophase Febearing particles (npFe). While our understanding of these alteration processes has largely been based on data from the Moon and near-Earth S-type asteroids, the space weathering environment at Mercury is much more extreme. The surface of Mercury experiences a more intense solar wind flux and higher velocity micrometeoroid impacts than its planetary counterparts at 1 AU. Additionally, the composition of Mercury’s surface varies significantly from that of the Moon. Most notably, a very low albedo unit has been identified on Mercury’s surface, known as the low reflectance material (LRM). This unit is enriched with up to 4 wt.% carbon, likely in the form of graphite, over the local mean. In addition, the surface concentration of Fe across Mercury’s surface is low (<2 wt.%) compared to the Moon. Our understanding of how these low-Fe and carbon phases are altered as a result of space weathering processes is limited. Since Fe plays a critical role in the development of space weathering features on other airless surfaces (e.g., npFe), its limited availability on Mercury may strongly affect the space weathering features in surface materials. In order to understand how space weathering affects the chemical, microstructural, and optical properties of the surface of Mercury, we can simulate these processes in the laboratory [7]. Here we used pulsed laser irradiation to simulate the short duration, high temperature events associated with micrometeoroid impacts. We used forsteritic olivine, likely present on the Mercurian surface, with varying FeO contents, each mixed with graphite, in our experiments. We then performed reflectance spectroscopy and electron microscopy to investigate the spectral, chemical, and microstructural changes in these samples.

Thompson, Michelle S.↗
NASA NTRSDate not supplied

Comparison of Observed Longwave, Shortwave Irradiance and Surface Temperature from “MOSAiC” to CERES Radiative Transfer Calculations and Inputs

As atmospheric temperatures rise due to increased anthropogenic forcing, the effect is expected to be larger over the arctic than midlatitude and tropics, known as polar amplification. A multi-national program, the Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) was ran between Sept 2019 and Oct 2020. The project deployed scientific instruments on board the German research vessel Polarstern with the ship remaining across a year to observe all aspects of polar climate. The US DOE deployed the ARM AMF2 aboard the ship along with several off-ship sites for extended spatial observations. Of particular importance was the measurement of the energetics of the ice/ocean/atmosphere interactions through observations of surface irradiance and surface temperatures. NASA’s Clouds and the Earth’s Radiant Energy System (CERES) project produces the SYN1deg Edition 4 data product. This product provides high quality, hourly, globally gridded and temporally complete maps of top of atmosphere (TOA), in atmosphere, and surface irradiances. TOA fluxes are derived from CERES instruments and geostationary satellites. In addition, TOA, in atmosphere, and surface irradiances are computed using the Langley Fu and Liou radiative transfer model. The radiative transfer model is run hourly at 1 degree ~equal area spatial resolution. Meteorological profiles are provided by Global Modeling and Assimilation Office’s GEOS-541 reanalysis product. Cloud properties are derived solely from Terra and Aqua MODIS imagers northward of 60°. Here we compare SYN1deg hourly calculations of surface irradiance to observations from the AMF2 to validate the products estimates of surface irradiance in this challenging area. Along with the irradiance comparisons we take a close look at the surface temperature record in the GEOS-541 product and compare it over both time and space to several surface observations provided by MOSAiC. Along with the comparison to the re-analysis record we will compare these observed surface temperatures to those derived from the AIRS product, which is known to have some difficulty in extreme high latitude areas. The goals of this study are 1) understand computed surface downward irradiance and temperature error separated by surface type (e.g. sea ice or open water) and by season, and 2) error covariance in spatial and temporal space. We seek to use this information to extrapolate the error from the MOSAiC domain to a larger arctic region.

David A Rutan↗
NASA NTRS2024

High Spectral Resolution Lidar – Generation 2 (HSRL-2) Retrievals of Ocean Surface Wind Speed: Methodology and Evaluation

Ocean surface wind speed (i.e., wind speed 10 m above sea level) is a critical parameter used by atmospheric models to estimate the state of the marine atmospheric boundary layer (MABL). Accurate surface wind speed measurements in diverse locations are required to improve characterization of MABL dynamics and assess how models simulate large-scale phenomena related to climate change and global weather patterns. To provide these measurements, this study introduces and evaluates a new surface wind speed data product from the NASA Langley Research Center nadir-viewing High Spectral Resolution Lidar – generation 2 (HSRL-2) using data collected as part of the NASA Aerosol Cloud meTeorology Interactions oVer the western ATlantic Experiment (ACTIVATE) mission. The HSRL-2 can directly measure vertically resolved aerosol backscatter and extinction profiles without additional constraints or assumptions, enabling the instrument to accurately derive atmospheric attenuation and directly determine surface reflectance (i.e., surface backscatter). Also, the high horizontal spatial resolution of the HSRL-2 retrievals (0.5 s or ∼ 75 m along track) allows the instrument to probe the fine-scale spatial variability in surface wind speeds over time along the flight track and over breaks in broken cloud fields. A rigorous evaluation of these retrievals is performed by comparing coincident HSRL-2 and National Center for Atmospheric Research (NCAR) Airborne Vertical Atmosphere Profiling System (AVAPS) dropsonde data, owing to the joint deployment of these two instruments on the ACTIVATE King Air aircraft. These comparisons show correlations of 0.89, slopes of 1.04 and 1.17, and y intercepts of −0.13 and −1.05 m s−1 for linear and bisector regressions, respectively, and the overall accuracy is calculated to be 0.15 ± 1.80 m s−1. It is also shown that the dropsonde surface wind speed data most closely follow the HSRL-2 distribution of wave slope variance using the distribution proposed by Hu et al. (2008) rather than the ones proposed by Cox and Munk (1954) and Wu (1990) for surface wind speeds below 7 m s−1, with this category comprising most of the ACTIVATE data set. The retrievals are then evaluated separately for surface wind speeds below 7 m s−1 and between 7 and 13.3 m s−1 and show that the HSRL-2 retrieves surface wind speeds with a bias of ∼ 0.5 m s−1 and an error of ∼ 1.5 m s−1, a finding not apparent in the cumulative comparisons. Also, it is shown that the HSRL-2 retrievals are more accurate in the summer (−0.18 ± 1.52 m s−1) than in the winter (0.63 ± 2.07 m s−1), but the HSRL-2 is still able to make numerous (N=236) accurate retrievals in the winter. Overall, this study highlights the abilities and assesses the performance of the HSRL-2 surface wind speed retrievals, and it is hoped that further evaluation of these retrievals will be performed using other airborne and satellite data sets.

Sanja Dmitrovic↗
NASA NTRSDate not supplied

The Land Surface in Current and Planned MERRA Reanalysis Products

Current global atmospheric reanalysis products such as the European Centre for Medium-Range Weather Forecasts Reanalysis version 5 (ERA5), the NASA Modern-Era Retrospective analysis for Research and Applications version 2 (MERRA-2), and the Japanese Reanalysis for Three Quarters of a Century (JRA-3Q) provide estimates of land surface states and fluxes, including soil moisture, soil temperature, snow mass, latent and sensible heat fluxes, and runoff, that are widely used in research and applications. These land surface estimates are based on land surface process models and, depending on the reanalysis product, on precipitation observations or the assimilation of land surface observations of soil moisture, soil temperature, snow conditions, and screen-level air temperature and humidity from satellite observations and in situ measurements. In this presentation, we review the land surface modeling and data assimilation components of the suite of current and planned MERRA reanalysis products. In addition to MERRA-2, we will discuss the latest NASA reanalysis, MERRA for the 21st century (M21C), which is currently under production, as well as the development and planning of the next version of the MERRA reanalysis, tentatively labeled MERRA-3. In MERRA-2, observations-based precipitation data products are used to correct the precipitation falling on the land surface. Outside of the high-latitudes and Africa, the daily, 0.5-degree, gauge-based Climate Prediction Center (CPC) Unified (CPCU) product is used. In Africa, the pentad, 2.5-degree, satellite- and gauge-based CPC Merged Analysis of Precipitation (CMAP) product is used. Poleward of 62.5 degrees latitude, the land surface sees the precipitation generated by the atmospheric model in the cycling data assimilation system. This configuration provides improved soil moisture estimates compared to those of the original (version 1) MERRA estimates, which did not benefit from the use of precipitation observations. Moreover, the use of precipitation observations facilitates a seamless spin-up of the land surface initial conditions across the MERRA-2 production streams. The use of a gauge-only precipitation product in MERRA-2 across much of the globe, however, adversely impacts the quality of the MERRA-2 land surface estimates in regions with poor gauge coverage, including most of South America and Australia. Therefore, the forthcoming M21C reanalysis uses satellite- and gauge-based precipitation from the Integrated Multi-satellitE Retrievals for the Global Precipitation Measurement Mission (IMERG). This change results in significant improvements in the quality of the M21C soil moisture estimates in the Southern Hemisphere compared to those from MERRA-2. Planning for MERRA-3 focuses on the assimilation of soil moisture observations from the Soil Moisture Active Passive (SMAP) mission and the Advanced Scatterometer (ASCAT), along with snow cover area fraction observations from the Moderate Resolution Imaging Spectroradiometer (MODIS) to further improve the quality of the land surface estimates from the reanalysis. As a first step towards the assimilation of land surface observations in MERRA-3, the offline (land-only) M21C-Land reanalysis is currently under development as a supplemental M21C product that includes the assimilation of SMAP, ASCAT, and MODIS observations. Preliminary results from M21C and M21C-Land will be discussed in the context of MERRA-2 and plans for MERRA-3.

Rolf Reichle↗
DOE OSTI2024

Structure Sensitive Reaction Kinetics of Chiral Molecules on Intrinsically Chiral Surfaces

Enantiospecific heterogeneous catalysis utilizes chiral surfaces to resolve enantiomers via structure sensitive surface chemistry. The catalyst design challenge is the identification of chiral surface structures that maximize enantiospecificity. Herein, we develop data driven models for the enantiospecificity of tartaric acid reactions on chiral Cu(hkl) R&S surfaces. Measurements of enantiospecific rate constants were obtained by using curved Cu(hkl) R&S surfaces that enable kinetic measurements on hundreds of chiral surface orientations. One model uses feature vectors derived from generalized coordination numbers to capture the local structure around Cu atoms exposed by the Cu(hkl) R&S surfaces. The second model introduces the use of chiral cubic harmonic functions to capture the symmetry constraints of the face-centered cubic Cu structure. The model using 58 generalized coordination numbers has a fitting error similar to that of the model using only 5 cubic harmonic functions. The two models predict maxima in the enantiospecificity on surfaces with very similar surface orientations. The models developed in this work are applicable for any enantiospecific reaction happening on any chiral material with a cubic lattice structure, opening the way to understanding the surface structure sensitivity of the enantiospecific reaction kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Water-induced surface ordering facilitating the microcutting of ductile metals

Metal cutting is a crucial process in modern manufacturing. Enhancing the machinability of metals can significantly improve their production efficiency and surface integrity. Coating surface-active media (SAM) on the free surface of the metals before cutting is an easy method to improve machinability, which usually pertains to the category of the renowned Rehbinder effect. However, the existing SAM is usually hazardous and complex materials. Besides, the effect of SAM on the local structure of the metal surface remains unclear. In this study, water is employed as a simple yet often overlooked SAM in the microcutting of copper. Using water as SAM also allows the employment of X-ray absorption fine structure spectroscopy (XAFS) to study the local structure of copper with and without water coating. Results show that water coating on the free surface of copper can significantly reduce the cutting force and chip thickness, and improve the surface finish. Interestingly, removing the water coating enables the recovery of the cutting force, demonstrating a reversible effect. Based on the XAFS results and molecular dynamics simulation, a water-induced surface ordering mechanism is proposed to explain the findings from the microcutting experiments. This mechanism suggests that water molecules can induce surface ordering in copper, resulting in reduced surface energy and fracture toughness of copper, thus enhancing machinability. In conclusion, this work provides valuable insights into the comprehension of the Rehbinder effect and shows that picometer-scale modifications of the surface atom arrangement can considerably alter the deformation mode of metals, paving the way for the development of new manufacturing processes.

36 MATERIALS SCIENCE↗
NASA NTRS2014

Impact of Land Surface Initialization Approach on Subseasonal Forecast Skill: a Regional Analysis in the Southern Hemisphere

The authors use a sophisticated coupled land-atmosphere modeling system for a Southern Hemisphere subdomain centered over southeastern Australia to evaluate differences in simulation skill from two different land surface initialization approaches. The first approach uses equilibrated land surface states obtained from offline simulations of the land surface model, and the second uses land surface states obtained from reanalyses. The authors find that land surface initialization using prior offline simulations contribute to relative gains in subseasonal forecast skill. In particular, relative gains in forecast skill for temperature of 10%-20% within the first 30 days of the forecast can be attributed to the land surface initialization method using offline states. For precipitation there is no distinct preference for the land surface initialization method, with limited gains in forecast skill irrespective of the lead time. The authors evaluated the asymmetry between maximum and minimum temperatures and found that maximum temperatures had the largest gains in relative forecast skill, exceeding 20% in some regions. These results were statistically significant at the 98% confidence level at up to 60 days into the forecast period. For minimum temperature, using reanalyses to initialize the land surface contributed to relative gains in forecast skill, reaching 40% in parts of the domain that were statistically significant at the 98% confidence level. The contrasting impact of the land surface initialization method between maximum and minimum temperature was associated with different soil moisture coupling mechanisms. Therefore, land surface initialization from prior offline simulations does improve predictability for temperature, particularly maximum temperature, but with less obvious improvements for precipitation and minimum temperature over southeastern Australia.

Precipitation↗
NASA NTRS2018

Tactical Surface Metering Procedures for Charlotte Douglas International Airport

NASA has been collaborating with the Federal Aviation Administration (FAA) and aviation industry partners to develop and demonstrate new concepts and technologies for the Integrated Arrival, Departure, and Surface (IADS) traffic management capabilities under the Airspace Technology Demonstration 2 (ATD-2) project. The primary goal of the ATD-2 project is to improve the predictability and the operational efficiency of the air traffic system in metroplex environments while maintaining or improving throughput by enhancing and integrating arrival, departure and surface prediction, scheduling, and management systems. In the Phase 1 Baseline IADS Demonstration, the tactical surface scheduling capability and the user interfaces for ramp controllers and ramp traffic managers were implemented for ramp operations. The purpose of the tactical surface scheduling capability is to provide the airline ramp controller with aircraft pushback advisories that prevent surface congestion and to respond to surface and airspace constraints that become known over relatively short time horizons. For this purpose, the tactical surface metering tool first estimates the capacity of current and near-future runway resources from flight schedule and surveillance data. With demand forecasts and predicted taxi trajectories, this tool computes an efficient runway schedule of aircraft in the planning horizon based on their readiness, Earliest Off-Block Times (EOBTs), and a ration by schedule (RBS) rule. Details on the implementation of the Tactical Surface Metering tool will be provided in the full paper. Both pushback and recommended hold times advisories provided by this surface metering tool are shown on the user interfaces for the ramp controller and the ramp traffic manager, called Ramp Traffic Console (RTC) and Ramp Manager Traffic Console (RMTC), respectively. There is excess queue time in the system due to demand capacity imbalance, this time can be taken as a hold on the runway queue or at the gate and was referred to as the Metering Value. This metering value can be adjusted by the Ramp Manager in collaboration with Air Traffic Controller-Tower Traffic Management Coordinator (TMC). They selected a set of metering values as default values for the tool during human-in-the-loop simulation. As the metering value increases, there is a decrease in the gate hold and increase in the queue time at the runway. Procedures and Information needs related to managing the surface metering procedures were researched in the simulated environment. These procedures will be compared to the procedures adopted at Charlotte Douglas International Airport when the tools were deployed and adopted in November 2017 for one departure push bank per day. Feedback regarding initial issues, information needs such as the need to see EOBTs on the flight data tags and how they compare to scheduled times will also be discussed in the full paper. Initial results will be provided regarding the choice of the metering value and how it was adjusted on a daily basis and what procedures evolved will also be presented in the paper.

surface metering↗
NASA NTRS2018

Development of a Detailed Surface Chemistry Framework in DSMC

A generalized finite-rate surface chemistry framework incorporating a comprehensive list of reaction mechanisms is developed and implemented into the Direct Simulation Monte Carlo (DSMC) solver SPARTA (Stochastic PArallel Rarefied-gas Time-accurate Analyzer). The various mechanisms include adsorption, desorption, Eley-Rideal (ER), and several types of Langmuir-Hinshelwood (LH) mechanisms. The approach is to stochastically model the various competing reactions occurring on a set of active sites. Both gas-surface (e.g., adsorption, ER) and pure-surface (e.g., desorption) reaction mechanisms are incorporated, and the framework also includes catalytic or surface altering mechanisms involving the participation of the bulk-phase species (e.g., bulk carbon atoms). Marschall and MacLean developed a general formulation in which multiple phases and surface sites are used and a similar convention is adopted in the current work. Expressions for the microscopic parameters of reaction probabilities (for gas-surface reactions) and frequencies (for pure-surface reactions) that are required for DSMC are derived from the surface properties and macroscopic parameters such as rate constants, sticking coefficients, etc. The energy and angular distributions of the products are specified according to the reaction type and input parameters. This framework also presents physically consistent procedures to accurately compute the reaction probabilities and frequencies in the case of multiple reactions. The result is a modeling tool with a wide variety of surface reactions characterized via user-specified reaction rate constants, surface properties and parameters.

Surface Chemistry↗
NASA NTRSDate not supplied

Global Surface Skin Temperature Monitoring from Satellites

Surface skin temperature has been retrieved from IASI measurements. Monthly and spatially gridded surface skin temperature is produced to show some phenomena of its natural variability, which is also reflected in the surface emissivity and/or soil moisture derived from the same time series of measurements. The anomalies of surface skin temperature are used to estimate its trend. Error estimation and/or evaluation has been performed and discussed to understand the uncertainty in the trends. The trend of IASI global surface skin temperature is compared with that of NASA GISS global surface air temperature. Despite the physical differences between surface skin and air temperatures, agreement is shown between these two datasets indicating consistency and global surface warming during the past 15 years. The trend of IASI global surface skin temperature reports a positive increase has evolved during 2007–2022. This warming trend is more pronounced in the northern hemisphere. Retrieving, analyzing, and monitoring surface parameters from such advanced hyperspectral infrared sounders will continue.

global warming↗
NASA NTRSDate not supplied

NASA Lunar Surface Operations & Power Grid

The National Aeronautics and Space Administration (NASA) Artemis Program is developing, testing, and demonstrating new capabilities and technologies required to support a sustainable human presence on the lunar surface and a longer-term vision of sending astronauts to Mars. Artemis lunar surface operations will begin with robotically exploring the lunar south polar regions for locations suitable for harvesting lunar surface resources. Over time activities on the lunar surface will expand beyond robotic operations to human lunar surface operations with the delivery of a lunar habitat and in-situ resource utilization (ISRU) assets increasing the need for highly reliable and available electrical power. As operations move beyond the Artemis technology demonstrations and exploration activities towards full commercial lunar surface activities, the ability to expand the original envisioned Artemis power system and repurpose power system components to support commercial activities will be crucial. One technology that will be necessary to support commercial lunar operations is a power grid. A lunar surface power grid would offer the ability to integrate various power sources to maximize power availability, including fission surface power (nuclear), solar arrays, batteries, and regenerative fuel cells. Newly designed terrestrial microgrids are flexible and can be designed to allow for islanded operation, where power is utilized near the loads to minimize power distribution losses or in a power sharing mode where power is transmitted longer distances. This capability is crucial during failures where overall power availability is reduced, and load demand exceeds generation/storage capability. These terrestrial microgrids will also allow for the power system to grow and evolve over time, meeting the need to expand beyond initial lunar surface activities. This presentation will discuss the NASA Artemis plans, potential power system architectures, and power distribution options that will enable growth from initial technology demonstrations towards a lunar economy with a lunar surface power grid that offers many of the advantages of terrestrial microgrids.

Microgrids↗
NASA NTRSDate not supplied

LANDO: Developing Autonomous Payload Offloading Capabilities for Lunar Surface Operations

Introduction: The Lightweight Surface Manipulation System (LSMS) AutoNomy capabilities Development for surface Operations and construction (LANDO) project is an Early Career Initiative selected for funding by NASA Space Technology Mission Directorate. LANDO is developing a general-purpose autonomy framework applicable to serial and tension-actuated manipulation agents, that will be validated using an existing prototype of the LSMS-L35 (35-kg wrist lift capacity on the lunar surface [Fig. 1], sized for a Commercial Lunar Pay-load Services (CLPS) mission). The autonomous LSMS-L35 will be used to demonstrate autonomous payload handling capabilities for Lunar and other planetary surfaces, directly addressing STMD capability gaps in autonomous excavation and construction operations, advanced robotics and spacecraft autonomy technologies, and technologies supporting emerging space industries including the In-Space Servicing, Assembly and Manufacturing national strategy. LSMS: The LSMS is a tension actuated robotic agent that is scalable (reach and lifting capacity in different gravity environments), versatile (types of surface operations), and reusable. Compared to serial arms, the LSMS provides significantly higher structural efficiency and mechanical advantage, enabling a greater payload lift capacity at a lower system mass. The LSMS is envisioned to be a crucial part of the excavation and construction portfolio, capable of supporting a variety of activities on the lunar surface. Autonomous payload handling is one of the first activities the LSMS can support that develops capabilities that are extensible to other surface operations. Payload handling is required to: remove payloads from a lander; place payloads on mobile agents for transport from a lander to construction site/assembly point; emplace payloads in their operational configuration, and aggregate components to create an asset. As an example of this critical gap, manifested CLPS missions do not currently have a ubiquitous payload offloading capability; payloads (excluding rovers) are designed to remain on the lander. Why Autonomy? Autonomous robotic systems capable of carrying out excavation and construction operations are a fundamental and critical capability required for realizing the NASA Artemis program vision to “emplace and build the infrastructure, systems, and robotic missions that can enable a sustained lunar surface presence.” While teleoperation is still feasible for lunar surface operations, increased latency at Mars will require validated supervised autonomous technologies capable of operating with minimal human involvement (human-on-the-loop) unless an unexpected event occurs requiring human intervention. Autonomy reduces operator burden, allows operations to continue during uncrewed periods, in-creases the safety of operations by automatically detecting and handling faults, and allows operating in high latency environments. Development Activities: LANDO is extending critical autonomous operations to the manipulation domain and creating an integrated system, based on reusable software modules, that is capable of planning and executing payload handling and autonomous surface operations without requiring hu-man intervention beyond a supervisory role. The priority features under development are 1) autonomously offload payloads from a tilted lander deck without buckling the LSMS; 2) sensing whether a payload is safe to lift and handle; and 3) integrate with Astrobotic’s CLPS lander. The poster presentation will highlight current development activities over the past year on LSMS-L35 prototype hard-ware design, and autonomy software.

in-space assembly↗
DOE OSTI2024

Ghost states and surface structures of the charge density wave kagome metal ScV 6 Sn 6

In this work, we investigate the high-temperature phase of the kagome metal ScV 6 Sn 6 using scanning tunneling microscopy/spectroscopy (STM/S) and density functional theory calculations. STM topographic images of the cleaved sample reveal two distinct surface terminations: flat islands with Sn termination and trenches terminated by kagome layers with Sn as the outermost atomic layer. STS measurements on the Sn-terminated and kagome-terminated surfaces show significant differences, in particular the presence of large density of states near the Fermi level in the former case. Our first-principles calculations reveal that the charge density on the kagome-terminated surface gives rise to “ghost states” which show intensity away from surface atoms, arising due to hybridization of orbitals above the surface. These states can obscure the intrinsic properties of the surface, potentially leading to misattribution of the surface termination. This underscores the need for careful interpretation in STM studies, especially when discerning surface states of localized states. Understanding the surface structure of this versatile quantum material provides essential information for interpreting surface-sensitive experiments, tailoring material properties, engineering interfaces, and controlling stability and reactivity. This knowledge paves the way for further exploration and potential applications of kagome lattice materials in various fields, including quantum computing, topological physics, and advanced electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Measurement and analysis of the Doppler broadened energy spectra of gamma radiation originating from the annihilation of positrons incident on clean and adsorbate-covered surfaces

We present measurements and theoretical modeling demonstrating the capability of coincidence Doppler broadened (CDB) annihilation gamma spectroscopy to provide element-specific information from the topmost atomic layer of surfaces. Our measurements show that the energy spectra of Doppler-shifted annihilation gamma photons emitted following the annihilation of positrons from the topmost atomic layers of clean and adsorbate covered surfaces of gold (Au), silver (Ag) and copper (Cu) differ significantly. The shape of the Doppler-broadened gamma spectrum, as analyzed using ratio curves, indicates that the elemental composition of the surface can still be identified despite contributions from positronium annihilation and a significant reduction in core electron annihilation. We estimate the chemical composition of the various probed surfaces by modeling the ratios of the measured Doppler spectra with respect to the Doppler spectra from a clean Cu surface using a linear combination of calculated ratio curves. The fitting of the experimental ratio curves was used to obtain an estimate of the elemental composition of Cu surfaces with sulfur segregation, oxygen adsorption, a thin film of Selenium (Se), and a single layer of graphene (SLG). A similar analysis was performed on the Ag surface with environmental adsorbates, the same surface after argon ion sputtering, as well as a sputter cleaned Au surface. The surface compositions obtained from the analysis of the CDB data were compared to the compositions obtained using positron annihilation induced Auger electron spectroscopy (PAES). Our results show that CDB can detect, identify, and quantify, sub-monolayer adsorbates and a single atomic layer deposited on metal substrates.

Lotfimarangloo, Sima [Univ. of Texas, Arlington, T↗
DOE OSTI2024

Site heterogeneity and broad surface-binding isotherms in modern catalysis: Building intuition beyond the Sabatier principle

Learning the science of heterogeneous catalysis and electrocatalysis always starts with the simple case of a flat, uniform surface with an ideal adsorbate. It has of course been recognized for a century that real catalysts are more complicated. For the increasingly complex catalysts of the 21st century, this Perspective argues that surface heterogeneity and non-ideal binding isotherms are central features, and their implications need to be incorporated in current thinking. A variety of systems are described herein where catalyst complexity leads to broad, non-Langmuirian surface isotherms for the binding of hydrogen atoms – and this occurs even for ideal, flat Pt(111) surfaces. Modern catalysis employs nanoscale materials whose surfaces have substantial step, edge, corner, impurity, and other defect sites, and they increasingly have both metallic and non-metallic elements M n X m , including metal oxides, chalcogenides, pnictides, carbides, doped carbons, etc. The surfaces of such catalysts are often not crystal facets of the bulk phase underneath, and they typically have a variety of potential active sites. Catalytic surfaces in operando are often non-stoichiometric, amorphous, dynamic, and impure, and often vary from one part of the surface to another. Understanding of the issues that arise at such nanoscale, multi-element catalysts is just beginning to emerge. Yet these catalysts are widely discussed using Brønsted/Bell-Evans-Polanyi (BEP) relations, volcano plots, Tafel slopes, the Butler-Volmer equation, and other linear free energy relations (LFERs), which all depend on the implicit assumption that the active sites are “similar” and that surface adsorption is close to ideal. These assumptions underly the ubiquitous intuition based on the Sabatier Principle, that the fastest catalysis will occur when key intermediates have free energies of adsorption that are not too strong nor too weak. Current catalysis research often aims to minimize the complexity of non-ideal isotherms through experimental and computational design (e.g., the use of single crystal surfaces), and these studies are the foundation of the field. In contrast, this Perspective argues that the heterogeneity of binding sites and binding energies is an inherent strength of these catalysts. Here, this diversity makes many nanoscale catalysts inherently a high-throughput screen wrapped in a tiny package. Only by making the heterogeneity part of the foundation of catalysis models, sorting the types of active sites and dissecting non-ideal binding isotherms, will modern catalysis learn to harness the inherent diversity of real catalysts. Controlling and exploiting diversity rather than avoiding it will help to optimize complex modern catalysts and catalytic conditions.

Mayer, James M.↗
DOE OSTI2025

Time-Domain Extreme-Ultraviolet Diffuse Scattering Spectroscopy of Nanoscale Surface Phonons

Here, we report the observation of dynamic fringe patterns in the diffuse scattering of extreme ultraviolet light from surfaces, following femtosecond optical excitation. At each point on the detector, the diffuse scattering intensity exhibits oscillations at well-defined frequencies that correspond to surface phonons with wave vectors determined by the scattering geometry, indicating that the optical excitation generates coherent surface phonons propagating in all directions and spanning a wavelength range from 60 to 300 nm. This phenomenon is observed on a variety of samples, including single-layer and multilayer metal films, as well as bulk semiconductors. The measured surface phonon dispersions show good agreement with theoretical calculations. By comparing signal amplitudes from samples with different surface morphologies, we find that the excitation mechanism is linked to the natural surface roughness of the samples. However, the signal is still detectable on extremely smooth surfaces with subnanometer roughness. Our findings demonstrate a simple and effective method for optically exciting coherent surface phonons with nanoscale wavelengths on a wide range of solid samples and establish a foundation for surface phonon spectroscopy in a wave vector range well beyond the limit of conventional surface Brillouin scattering.

Capotondi, F. [Elettra-Sincrotrone Trieste (Italy)↗