Search NASA⌕ Search

SEARCH · Search NASA

Results for “ML model”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 181 records · Page 10

Earth Independent Medical Operations (EIMO) Datascope: Challenges and Potential Solutions

Data flows and storage/retrieval capacity are severely constrained during missions in space and challenges will become even greater during exploration class missions. There is a need for an artificial intelligence (AI)-based clinical decision support system (CDSS) to monitor and analyze data to provide real-time consultative support for crew medical officer (CMO) decision-making. EIMO is defined as the gradual transition of medical care and decision making from terrestrial to space-based assets, enabling support of astronaut health and performance and reducing overall mission risk. While a hallmark of this paradigm shift from low-earth orbit is that on-board care will increasingly become the responsibility of the astronauts for primary management and decision making, terrestrial assets will continue to be paramount in pre-mission screening and planning, as well as prevention, health maintenance and long-term care contingencies. New capabilities and systems that enable progressively more robust and resilient systems and crews will be necessary to reduce risk and increase probability of deep space exploration mission success. An aspiration for EIMO is to develop AI-enhanced solutions for analysis of crew health & performance data and to facilitate clinical decision support for autonomous medical operations. A “system of systems” approach is envisioned whereby EIMO will deploy AI-supported natural language processing and machine learning (ML) techniques to utilize embedded reference databases and real-time data streams [input vectors] from multiple data sources. Constituent input vectors may include environmental controls, countermeasures data, behavioral data, physiologic wearables, point-of-care laboratory tests, personalized medical records, inventory trade space risk assessments, COTS medical databases, and ground support inputs. An ideal AI capability would possess trained fusion algorithms to cross reference input vectors with medical ‘knowledge’ [cultivated database] to stratify relevant data streams for predictive and actionable capabilities. In addition, EIMO will feature mobility, in that it can be accessed and can push/pull data within and between multiple vehicles/habitats. Large amounts and variable sources of data can be leveraged to diagnose, inform treatment strategies, and potentially predict medical events and performance decrements. Inclusion of advanced training tools using extended reality will enable increasingly autonomous medical care to aid a CMO when ground support is unavailable or time-delayed beyond required action window, e.g., emergent medical situations. EIMO CDSS would require very large datasets to train pre-flight and significant amounts of data are needed to support ML via in-flight CDSS operations. An additional challenge will be to find sufficient data to train a model relevant to astronaut demographics. The rapid, accelerating evolution of this field creates a propitious solution space to leverage multi-modal AI through public-private partnership(s). The status of multi-modal AI systems today would preclude their use for long duration missions as they remain unreliable and are subject to “digital hallucinations” and other errors that could pose operational risk. A federated labs structure is being considered to test and optimize data flow from the multiple input vectors leading to field testing in suitable ground/flight analogs. Critical to the success of an EIMO CDSS will be integration and interoperability and success will be defined by a system that can serve as an in-flight medical consult for the CMO providing critical support during medical contingencies. Benefits to terrestrial medicine may be significant as an outflow of the EIMO medical system, particularly for remote areas and communities lacking significant infrastructure, personnel and resources.

Medical Operations↗

Mixed Layer Heights Derived from the NASA Langley Research Center Airborne High Spectral Resolution Lidar

The NASA airborne High Spectral Resolution Lidar (HSRL) has been deployed on board the NASA Langley Research Center's B200 aircraft to several locations in North America from 2006 to 2012 to aid in characterizing aerosol properties for over fourteen field missions. Measurements of aerosol extinction (532 nm), backscatter (532 and 1064 nm), and depolarization (532 and 1064 nm) during 349 science flights, many in coordination with other participating research aircraft, satellites, and ground sites, constitute a diverse data set for use in characterizing the spatial and temporal distribution of aerosols, as well as properties and variability of the Mixing Layer (ML) height. We describe the use of the HSRL data collected during these missions for computing ML heights and show how the HSRL data can be used to determine the fraction of aerosol optical thickness within and above the ML, which is important for air quality assessments. We describe the spatial and temporal variations in ML heights found in the diverse locations associated with these experiments. We also describe how the ML heights derived from HSRL have been used to help assess simulations of Planetary Boundary Layer (PBL) derived using various models, including the Weather Research and Forecasting Chemistry (WRF-Chem), NASA GEOS-5 model, and the ECMWF/MACC models.

Scarino, Amy J.↗

Multiphase Computational Fluid Dynamics Simulation of Ignition Overpressure and Plume-Water Interaction in the SLS Scale Model Acoustics Test

The solid rocket boosters (SRBs) on the Space Launch System (SLS) generate powerful ignition overpressure (IOP) waves that can potentially damage the vehicle and surrounding ground structures. Based on historical Shuttle experience, the IOP will be mitigated by utilizing an IOP/Sound Suppression (SS) water system which sprays water in and around the SRB and RS-25 engine plumes. However, the complex multiphase physics of the resulting plume-water interaction can lead to undesirable effects, such as high velocity water spray onto the engine nozzles and SRB nozzle side loads. Prior to launch, insight into this environment can be achieved through scale model testing and predictive computational fluid dynamics (CFD) modeling. The Scale Model Acoustic Test (SMAT) was conducted at Marshall Space Flight Center to provide the data necessary to develop the SLS liftoff acoustic environments by using a 5% scale SLS vehicle, fully integrated with a scaled IOP/SS water system, mobile launcher (ML), and tower. NASA engineers have put forth significant effort in validating the Loci/CHEM-Real Fluids multiphase CFD solver on a wet hold down test from the SMAT series. In this paper, the IOP acoustics and plume-water interactions predicted by the CFD model are compared and validated against the experiment, enabling relatively inexpensive, rapid turnaround for multiphase launch environment analyses to support future flights and design evolutions of SLS and other launch vehicles.

John E. Soto↗

CFD Simulation of Ignition Overpressure and Plume-Water Interaction in the SLS Scale Model Acoustics Test

The solid rocket boosters (SRBs) on the Space Launch System (SLS) generate powerful ignition overpressure (IOP) waves that can potentially damage the vehicle and surrounding ground structures. Based on historical Shuttle experience, the IOP will be mitigated by utilizing an IOP/Sound Suppression (SS) water system which sprays water in and around the SRB and RS-25 engine plumes. However, the complex multiphase physics of the resulting plume-water interaction can lead to undesirable effects, such as high velocity water spray onto the engine nozzles and SRB nozzle side loads. Prior to launch, insight into this environment can be achieved through scale model testing and predictive computational fluid dynamics (CFD) modeling. The Scale Model Acoustic Test (SMAT) was conducted at Marshall Space Flight Center to provide the data necessary to develop the SLS liftoff acoustic environments by using a 5% scale SLS vehicle, fully integrated with a scaled IOP/SS water system, mobile launcher (ML), and tower. NASA engineers have put forth significant effort in validating the Loci/CHEM-Real Fluids multiphase CFD solver on a wet hold down test from the SMAT series. In this paper, the IOP acoustics and plume-water interactions predicted by the CFD model are compared and validated against the experiment, enabling relatively inexpensive, rapid turnaround for multiphase launch environment analyses to support future flights and design evolutions of SLS and other launch vehicles.

Computational Fluid Dynamics↗

NASA One-Dimensional Combustor Simulation--User Manual for S1D_ML

The work presented in this paper is to promote research leading to a closed-loop control system to actively suppress thermo-acoustic instabilities. To serve as a model for such a closed-loop control system, a one-dimensional combustor simulation composed using MATLAB software tools has been written. This MATLAB based process is similar to a precursor one-dimensional combustor simulation that was formatted as FORTRAN 77 source code. The previous simulation process requires modification to the FORTRAN 77 source code, compiling, and linking when creating a new combustor simulation executable file. The MATLAB based simulation does not require making changes to the source code, recompiling, or linking. Furthermore, the MATLAB based simulation can be run from script files within the MATLAB environment or with a compiled copy of the executable file running in the Command Prompt window without requiring a licensed copy of MATLAB. This report presents a general simulation overview. Details regarding how to setup and initiate a simulation are also presented. Finally, the post-processing section describes the two types of files created while running the simulation and it also includes simulation results for a default simulation included with the source code.

combustion↗

Using Long-Short Term Memory Models to Predict Solar Active Regions Emergence

We train Long Short-Term Memory (LSTM) models that predict the formation of active regions (ARs), the main source of eruptive solar activity. Using the Doppler shift velocity, the continuum intensity and the magnetic field full-disk maps from SDO/HMI we have created time-series datasets of acoustic power and magnetic flux which are used to train Long Short-Term Memory (LSTM) models on predicting decreases in continuum intensity 12 hours in advance. Testing of the models' performance was done on data from 5 ARs, unseen from the model during training. The model predicted the emergence of AR11726, AR13165 and AR13179, 10, 29 and 5 hours in advance, and variations of this model achieved average RMSE values of 0.11 for both active and quiet parts of the solar disc, showing the ability of the model to capture acoustic power anomalies and predict continuum intensity variations. This work sets the foundations for the very first ML-aided prediction of solar ARs.

SMD↗

Assessing Several Non-Traditional Data Sources for Value in Aviation Safety

The NASA System-Wide Safety (SWS) project and its predecessor projects have been developing Machine Learning (ML) algorithms for commercial aviation safety for many years. These algorithms have been applied to Flight Operations Quality Assurance (FOQA); radar track data (e.g., Threaded Track); and safety reports, including Aviation Safety Reporting System (ASRS) and Aviation Safety Action Plan (ASAP). SWS is working with partners to get access to other data that air carriers provide, such as maintenance data, and has been assisting carriers in working with other data, such as Line Operations Safety Audit (LOSA) data, using manual methods. However, the project has discussed whether there are other data that are not traditionally used in aviation safety analysis that may be useful. This paper discusses four sets of data and models that are not traditionally used in aviation safety but that have shown promise for such use. In the future, we plan to incorporate such data into ML algorithms to use with data that we have used before and determine the additional benefit that is actually achieved under different contexts from the inclusion of these non-traditional data sources.

Nikunj C. Oza↗

On the uncertainty in single molecule fluorescent lifetime and energy emission measurements

Time-correlated single photon counting has recently been combined with mode-locked picosecond pulsed excitation to measure the fluorescent lifetimes and energy emissions of single molecules in a flow stream. Maximum likelihood (ML) and least square methods agree and are optimal when the number of detected photons is large however, in single molecule fluorescence experiments the number of detected photons can be less than 20, 67% of those can be noise and the detection time is restricted to 10 nanoseconds. Under the assumption that the photon signal and background noise are two independent inhomogeneous poisson processes, we derive the exact joint arrival time probably density of the photons collected in a single counting experiment performed in the presence of background noise. The model obviates the need to bin experimental data for analysis, and makes it possible to analyze formally the effect of background noise on the photon detection experiment using both ML or Bayesian methods. For both methods we derive the joint and marginal probability densities of the fluorescent lifetime and fluorescent emission. the ML and Bayesian methods are compared in an analysis of simulated single molecule fluorescence experiments of Rhodamine 110 using different combinations of expected background nose and expected fluorescence emission. While both the ML or Bayesian procedures perform well for analyzing fluorescence emissions, the Bayesian methods provide more realistic measures of uncertainty in the fluorescent lifetimes. The Bayesian methods would be especially useful for measuring uncertainty in fluorescent lifetime estimates in current single molecule flow stream experiments where the expected fluorescence emission is low. Both the ML and Bayesian algorithms can be automated for applications in molecular biology.

Brown, Emery N.↗

On the Uncertainty in Single Molecule Fluorescent Lifetime and Energy Emission Measurements

Time-correlated single photon counting has recently been combined with mode-locked picosecond pulsed excitation to measure the fluorescent lifetimes and energy emissions of single molecules in a flow stream. Maximum likelihood (ML) and least squares methods agree and are optimal when the number of detected photons is large, however, in single molecule fluorescence experiments the number of detected photons can be less than 20, 67 percent of those can be noise, and the detection time is restricted to 10 nanoseconds. Under the assumption that the photon signal and background noise are two independent inhomogeneous Poisson processes, we derive the exact joint arrival time probability density of the photons collected in a single counting experiment performed in the presence of background noise. The model obviates the need to bin experimental data for analysis, and makes it possible to analyze formally the effect of background noise on the photon detection experiment using both ML or Bayesian methods. For both methods we derive the joint and marginal probability densities of the fluorescent lifetime and fluorescent emission. The ML and Bayesian methods are compared in an analysis of simulated single molecule fluorescence experiments of Rhodamine 110 using different combinations of expected background noise and expected fluorescence emission. While both the ML or Bayesian procedures perform well for analyzing fluorescence emissions, the Bayesian methods provide more realistic measures of uncertainty in the fluorescent lifetimes. The Bayesian methods would be especially useful for measuring uncertainty in fluorescent lifetime estimates in current single molecule flow stream experiments where the expected fluorescence emission is low. Both the ML and Bayesian algorithms can be automated for applications in molecular biology.

Brown, Emery N.↗

Machine Learning for Extravehicular Mobility Unit (EMU) Glove Inspections

The Extravehicular Mobility Unit (EMU) Glove Machine Learning Inspection project utilizes machine learning to expedite the inspection, analysis, and recommendation for continued use of space suit gloves post spacewalks. Today, ISS glove photos are individually reviewed by a team of experts to determine the conditions of space suit gloves. For this project the Microsoft Azure platform is used to perform Automated Machine Learning (AutoML) to detect issues with tagged images from previous Extravehicular Activities (EVA’s) to build a predictive model. The model analyzes a test image and deems the glove GO or NO-GO for additional EVA’s. The goal for this ML project is to decrease the time spent reviewing images by ground personnel and crewmembers in high frequency EVA locations such as the Moon and Mars. For destinations such as the Moon and Mars the goal is to give crew autonomy in determining glove conditions with limited support from Earth. This paper will outline the results to date and future work needed to expand the capability for in-situ recommendations.

EVA↗

Data-Driven Turbulence Modeling: Summary and Outcomes of the 2022 NASA Symposium

A three-day symposium sponsored by NASA was held in July 2022 in Suffolk, Virginia on the subject of Turbulence Modeling: Roadblocks, and the Potential for Machine Learning. This meeting brought together over 80 experts from academia, government, and industry to discuss critical issues for Reynolds-averaged Navier-Stokes (RANS) turbulence and transition models, as well as to evaluate the results from a collaborative testing challenge based on data-driven methods and machine learning (ML) technology. The symposium represents a continuation of an earlier symposium sponsored by the University of Michigan and NASA, held in Ann Arbor, MI in 2017. The 2022 symposium included a wide variety of talks on the subjects of RANS and ML, five invited talks, and three panel discussions. This talk summarizes the main outcomes of the symposium, and includes suggested recommendations and future directions.

machine learning↗

Applying Machine Learning to Predict Alaskan Ionospheric Irregularities

In this work several machine-learning (ML) techniques for predicting ionospheric irregularities in the northern auroral zone were tested. The techniques include Ridge Regression, Long Short-Term Memory Neural Network (LSTM), Classification Neural Network (CNN), Autoencoder Classification Neural Network (ACNN), and LSTM Autoencoder Classification Neural Network (LACNN). These techniques were tested with the rate of total electron content (TEC) index (ROTI) data collected during 2008 and 2009 from a geodetic station in Fairbanks, Alaska (64.98°N, 147.50°W), which is in the auroral zone. Using ROTI data with the ML techniques, experiments were conducted to reach two goals: (1) examine what space weather measurements present good correlation with ROTI so that they may be helpful in ML-based prediction of ionospheric irregularities in the polar region; (2) predict ROTI hours and days ahead by training the neural network models with historical ROTI data alone. The Ridge Regression experiments indicate that a combination of measurements of local geomagnetic horizontal components, geomagnetic SYM-H index, 3-hour Kp and ap indices, and F10.7 solar flux index appears to be more correlated to the single-site ROTI measurements than other parameters. The neural network (NN) experiments show that although the LACNN model allows for predictions of non-irregularity and irregularity conditions defined by ROTI levels up to 3 hours in advance, with an overall accuracy ≥ 92%, a number of irregularity events can still be missed. Hence, further development is needed to reduce the number of missed events. In this paper, the models, data processing, model performance, prediction results, and potential applications are presented.

Pi, Xiaoqing↗

Novel Observing Strategies (NOS) and Earth System Digital Twins (ESDT) for Disaster Resilience

"Earth systems have now been observed continuously for more than 50 years, not only from space but also from airplanes, balloons and in-situ sensors. With the addition of commercial remote sensing providers, many more Internet-of-Things sensors and new NASA and international observatories being planned, these incredible amounts of data will soon be augmented by even larger amounts of diverse data and therefore will become more and more difficult to access, integrate, understand and utilize. At the same time, because of climate change and its impacts, in order to predict, manage, and mitigate the effects of extreme science events and disasters, the information produced by all of this data needs to be optimized, organized and analyzed in such a way that it can be utilized by traditional as well as many new non-traditional users. This calls for the development of observing systems that are agile, coordinated and responsive to events of interest, and for information systems to be dynamic, interactive and fast. With these objectives in mind, the Advanced Information Systems Technology (AIST) Program has been developing technologies that will allow for the development of Novel Observing Strategies (NOS) in a distributed, coordinated fashion (i.e., similar to an “Internet-of-Earth-Things”), as well as for the development of novel information systems or Earth System Digital Twins (ESDT) that will build a digital replica of the past and current states of the Earth systems, will derive forecasts of future states under nominal assumptions and will also offer the capability to investigate many hypothetical evolution scenarios under varying impact assumptions. Both NOS and ESDT will be facilitated by the unprecedented advances of Artificial Intelligence technologies, especially Machine Learning (ML), for extracting relevant information from these large amounts of data, for fusing and assimilating diverse data together and for running complex models faster. Together NOS and ESDT will help build the capabilities needed to anticipate, predict and mitigate the effects of future disasters."

Earth Science Remote Sensing; Information Systems↗

Investigating the Use of Machine Learning (ML) to Assess Tropospheric Doppler Radar Wind Profiler (TDRWP) Data Quality

Manual Quality Control (MQC) of Tropospheric Doppler Radar Wind Profiler (TDRWP) data is essential for defining an accurate climatology for downstream aerospace vehicle assessments. MQC traditionally takes around 30.5 hours per year of radar data. The Marshall Space Flight Center Natural Environments Branch (MSFC NE) used machine learning (ML) to test the feasibility of automating the MQC process, showing a potential to reduce labor by 300%. However, analysis of the model showed some false positives. We compared a neural network to the model to validate it and develop a process for assessing comparable solutions in the future.

Corey Walker↗

Space Launch System Mobile Launcher Modal Pretest Analysis

NASA is developing an expendable heavy lift launch vehicle capability, the Space Launch System, to support lunar and deep space exploration. To support this capability, an updated ground infrastructure is required including modifying an existing Mobile Launcher system. The Mobile Launcher is a very large heavy beam/truss steel structure designed to support the Space Launch System during its buildup and integration in the Vehicle Assembly Building, transportation from the Vehicle Assembly Building out to the launch pad, and provides the launch platform at the launch pad. The previous Saturn/Apollo and Space Shuttle programs had integrated vehicle ground vibration tests of their integrated launch vehicles performed with simulated free-free boundary conditions to experimentally anchor and validate structural and flight controls analysis models. For the Space Launch System program, the Mobile Launcher will be used as the modal test fixture for the ground vibration test of the first Space Launch System flight vehicle, Exploration Mission ? 1( now referred to as Artemis 1), programmatically referred to as the Integrated vehicle modal test. The Integrated vehicle modal test of the Exploration Mission - 1 integrated launch vehicle will have its core and second stages unfueled while mounted to the ML while inside the Vehicle Assembly Building, which is currently scheduled for the late spring or early summer of 2020. The Space Launch System program has implemented a building block approach for dynamic model validation. The modal test of the Mobile Launcher is an important part of this building block approach in supporting the integrated vehicle modal test since the Mobile Launcher will serve as a structurally dynamic test fixture whose modes will couple with the modes of the Exploration Mission ? 1 test vehicle. The Mobile Launcher modal test will further support understanding the structural dynamics of the Mobile Launcher and SLS during rollout to the launch pad, which will play a key role in better understanding and prediction of the rollout forces acting on the launch vehicle. The Mobile Launcher modal test is currently scheduled for the summer of 2019. Due to a very tight modal testing schedule, this Mobile Launcher modal pretest analysis has been performed to ensure there is a high likelihood of being able to successfully complete the modal test (i.e. identify the primary target modes) using the planned instrumentation, shakers, and excitation types. This paper will discuss this Mobile Launcher modal pretest analysis and the unique challenges faced due to the Mobile Launcher's size and weight, which are typically not faced when modal testing aerospace structures.

Akers, James C.↗

Lightweight Vacuum Jacket for Cryogenic Insulation

The feasibility of producing a lightweight vacuum jacket using state-of-the-art technology and materials was examined. Design and analytical studies were made on a full-scale, orbital maneuvering system fuel tank. Preliminary design details were made for the tank assembly, including an optimized vacuum jacket and multilayer insulation system. A half-scale LH2 test model was designed and fabricated, and a force/stiffness proof test was conducted on the vacuum jacket. A vacuum leak rate of .000001 atmosphere ml of helium per second was measured, approximately 1500 hours of vacuum pressure were sustained, and 29 vacuum-pressure cycles were experienced prior to failure.

Barclay, D. L.↗

Retrieval of Daily Maps of PM2.5 Aerosol in the Problematic California Valleys: Bright, Speckled Reflectances, Thin AOT, but High Pollution

The San Joaquin Valley suffers from severe episodes of respirable aerosol (PM2.5) in wintertime.We provide maps of aerosol episodes using daily snapshots of PM2.5 and its changing features despite numerous difficulties inherent to sampling the region. Linear relationships relating aerosol optical thickness (AOT) to PM2.5 give an explained variance of approximately 3.The GEO-CAPE mission has as a goal the provision of relevant measures of respirable aerosol to the community,but has not formulated a science goal beyond the limited goal of retrieval of AOT, bringing the usefulness of GEO-CAPE into doubt.Our special focus was on the DISCOVER-AQ period, Jan-Feb 2013, which had many supporting measurements.Both high pollution and retrieval difficulties tend to occur in many Mediterranean agricultural regions like the San Joauin. One difficulty is the relatively bright surfaces with considerable exposed soil. NASAs MAIAC and MODIS Deep Blue retrieval techniques are shown to have considerable skill even at low aerosol optical thickness (AOT) values, as evaluated by concurrent AERONET sunphotometer measurements.More significantly, these AOT values can correspond to high daytime PM2.5 since aerosol mixed layer depth is thin and variable, 200m 600 m. The thin layers derive from typical subsidence of dry air between more stormy periods. This situation provides an advantage: water vapor column is also almost completely limited to a similar mixed layer depth, and can thus serve as a measure of aerosol dilution.Using the MAIAC Water Vapor Column:In order to make the maps below, we used the MAIAC data but subtracted partial water-vapor columns estimated from MERRA Reanalysis Data availabe from the GSFC GMAO using kriging. We did not use the mixed-layer estimates from MERRA, since such analyses were found problematic during our forecasting exercises for DISCOVER-AQ. Observations from the aircraft soundings suggested that this overlying moisture was mostly due to larger scale flows, not ML venting.However, the specific humidity at the surface and a nearly well-mixed ML was analyzed by kriging from the surface network (MesoWest, University of Utah). These were thought to be truer, uninfluenced by physical process modeling that combines with data observations. (TBD: How different are they?) Procedure: Subtract overlying partial water columns from MAIAC column water and divide this by a surface value of water vapor. (MAIAC column is expressed in cm of water, i.e., water vapor at surface conditions.This method appears to bring out useful details in the distribution of submicron particles in the very problematic Wintertime San Joaquin Valley, and allow analysis of pollution episodes throughout the valley, rather than long-term averages.

san joaquin valley↗

Geometry and Unoccupied Electronic States of Ba and BaO on W(001)

A study aimed at understanding the geometrical and electronic properties of barium and oxygen coadsorbed on the tungsten(001) surface has been carried out by means of work-function measurements (Delta-phi), Auger-electron spectroscopy, low-energy electron diffraction, inverse photoelectron spectroscopy, and relativistic-electronic-structure calculations. A report of the experimental measurements and a comparison with theoretical results from embedded-cluster-model calculations are presented. Our experimental studies show that the work function of the W(001) surface (phi = 4.63 eV) is lowered to approximately 2.3-2.4 eV by coadsorption of 1 ML of Ba and O regardless of the order of deposition of these two species. The technique of IPS in the isochromat mode was used to determine the unoccupied electronic-energy band structure for ordered c (2 X 2) Ba and O layers on W(001). Several spectral features are observed above the Fermi level (E(F)), which we assign to transitions into Ba and W d-states. The measured two-dimensional electronic band structure is independent of the order of Ba and O deposition. Using embedded-cluster-model calculations, we investigated two possible adsorption configurations of an ordered c(2 X 2) adlayer of Ba and O on W(001): 'tilted,' where Ba and O are placed on alternate fourfold-hollow sites, and 'upright,' where the adsorbed atoms lay above the same site with Ba outer-most. The calculated densities of states for the tilted geometry show distinct peaks above E(F) originating from Ba and W d-orbitals and are in good agreement with the experimental results.

Lamouri, A.↗