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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Configuration Space Integration for Adsorbate Partition Functions: The Effect of Anharmonicity on the Thermophysical Properties of CO–Pt(111) and CH 3 OH–Cu(111)

A method for computing anharmonic thermophysical properties for adsorbates on metal surfaces has been extended to include libration, or frustrated rotation. Classical phase space integration is used with Monte Carlo sampling of the configuration space to obtain the partition function of CO on Pt(111) and CH 3 OH on Cu(111). A minima-preserving neural network potential energy surrogate is used within the integration routines. Direct state counting using discrete variable representation is used to benchmark the results. We find that the phase space integration approach is in excellent agreement with the direct state counting results. Comparison with standard models such as the harmonic oscillator indicates that anharmonicity contributes significantly to the thermodynamic properties of CH 3 OH on Cu(111). We find that there is also a considerable difference between the harmonic oscillator and phase space integration for CO on Pt(111), although the discrepancy can largely be attributed to the presence of multiple binding sites within the unit cell. We demonstrate that a multisite harmonic oscillator model might be sufficient for CO-Pt(111). A more thorough description of the potential energy surface, which can be achieved with phase space integration, is necessary for weakly bound adsorbates such as CH 3 OH. In conclusion, the thermophysical properties were used to calculate free energies of adsorption on the respective metals, and subsequently the equilibrium constants and Langmuir isotherms in relevant temperature ranges. The results show that the choice of model to obtain partition functions greatly affects the resulting surface coverages in kinetic models.

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

Dataset: "Widespread Drought-driven Declines in Streamflows and Water quality in the Upper Colorado River Basin (1998-2022)"

This data package contains the associated data and scripts for Nagamoto, E., Ombadi, M., Ciulla, F. et al. Widespread drought-driven declines in streamflows and water quality in the Upper Colorado River Basin during 1998-2022. Commun Earth Environ 7, 734 (2026). https://doi.org/10.1038/s43247-026-03890-5. This purpose of this study was to investigate the impact of the 21st century drought on water quantity and quality at catchments throughout the Upper Colorado River Basin (UCRB). We used stream flow, water temperature, specific conductance, air temperature, precipitation, and catchment attribute data for over 200 sites in the UCRB, collected from the National Water Information System using Basin3D (Varadharajan, 2023), GAGESII (Falcone, 2010), and the Google Earth Engine. We identified years of severe drought between 1998 and 2022 using the Standardized Precipitation Evaporation Index (SPEI), then calculated the relative change percentage of the stream flow, water temperature, and specific conductance from drought versus non-drought years. We used the attribute information from GAGESII to investigate what physical traits of catchments are associated streamflow vulnerability (greater relative change) or resilience to drought. We used land cover data from the National Land Cover Database (USGS, 2024) to assess any changes to physical attributes that may not be represented in the static attributes information in GAGESII. To increase data availability, we modeled stream temperature using methods from Willard, 2023. While the study period is water years 1998 to 2022, the raw water quantity and quality data extends to 1950 and the meteorological data extends to 1980. The data and code can be downloaded via the UCRB_drought.zip. Within the zip, the files are organized as follows: - INPUTS: Contains all input data used in UCRB_Drought_Workflow.ipynb - OUTPUTS: Contains all intermediate data created from UCRB_Drought_Workflow.ipynb as well as final products including the calculated Standardized Evapotranspiration Index (SPEI) - climatic_variables: The code used to collect meteorologic data from Google Earth Engine - feature_importance: The code used for the catchment attributes analysis - preprocessing: Code used in UCRB_Drought_Workflow_Preprocessing.ipynb - pyeto: Code used in UCRB_Drought_Workflow_Preprocessing.ipynb - calculations: Code used in UCRB_Drought_Workflow_Impacts.ipynb - plotting: Code used in UCRB_Drought_Workflow_Impacts.ipynb - README.md - UCRB_Drought_Workflow_Preprocessing.ipynb: The code used to prep raw data for the analysis - UCRB_Drought_Workflow_Impact.ipynb: The code which uses the prepped raw data for analysis, and plots all figures - requirements_ucrb-drought_v2.yml: The requirements file to create a virtual environment and Jupyter Lab kernel to run the code The INPUTS folder is organized into the following major directories and sub-directories. The "RDC_WT_SC_RAW" folder contains raw data for streamflow, water temperature, and specific conductance in a ".h5" file. The "NLCD_RAW" folder contains ".csv" files with annual land cover percentages for counties within the UCRB. The "MET_RAW" folder contains a ".csv" file with monthly meteorological data (air temperature and precipitation) for the sites in the UCRB which was obtained from code in the climatic_variables folder. The "GAGESII" folder contains ".csv" files with physical catchment attribute variables for catchments across the country. The "WT_LSTM_data" folder contains ".csv" files with calculated WT (Willard, 2023) and the associated RMSEs. The "Upper_Colorado_River_Basin_Boundary" folder contains geographic data including a shapefile for plotting in the UCRB_Drought_Workflow.ipynb. The "RESERVOIRS_RAW" folder contains ".csv" files for each reservoir in the UCRB with daily reservoir storage. There are also two files in the INPUTS folder that have combined reservoir storage data and reservoir metadata. The OUTPUTS folder is organized into the following major directories and sub-directories. The "RDC_WT_SC_data" folder contains a folder "Water_year" with the associated cleaned data, metadata, and data availability information in ".csv" files, a folder "Median_Relchange" with the relative change comparing drought to non-drought years in ".csv" files, and a folder "Peak95_Min5_Relchange" that has ".csv" files for the relative change in peak (95th %) and minimum (5th %) variables. The "NLCD_data" folder contains the difference in land cover from the beginning to end of the study period and the percentage of the county that is within UCRB bounds can be found in Nagamoto et al (2025)). The "MET_data" folder contains separated monthly air temperature and precipitation data and the calculated PET in ".csv" files. The "SPEI_data" folder contains ".csv" files with calculated SPEI values (one restricted to the study period and the other with information from the entire MET data period). The "Paper_Tables" folder contains two ".csv" files containing site information and data availability and information about the GAGESII trait aggregated categories. The base directory includes the file “flmd.csv” for a list and description of all files and the file “dd.csv” for data dictionaries. Scripts for preprocessing, analysis, and figure generation are located in the associated GitHub repository found at [https://github.com/iNAIADS/drought-impacts/tree/develop/UCRB-drought]. UPDATE 1: Title and code file updated to match submitted manuscript 10-15-2025. UPDATE 2: Code and data files updated to match revised manuscript 3-4-2026. UPDATE 3: Code and data files updated to match revised manuscript 6-7-2026. ** NOTE: DD and FLMD have not been updated yet. UPDATE 4: Added associated Manuscript information and DD and FLMD have been updated. To cite this code, please use the following BibTeX: @misc{nagamoto2025drought, author = {Emily Nagamoto and Fabio Ciulla and Mohammad Ombadi and Jared Willard and Rosemary Carroll and Charuleka Varadharajan}, title = {Dataset: "Widespread Drought-driven Declines in Streamflows and Water quality in the Upper Colorado River Basin (1998-2022)"}, year = {2025}, doi = {10.15485/2551894}, publisher = {ESS-DIVE Repository}, url = {https://data.ess-dive.lbl.gov/datasets/doi:10.15485/2551894} }

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1976

The Vikings are coming

The exploration of Mars with the aid of the two Viking landers is discussed. The probable landing date for Viking Lander 1 will be July 4, 1976, and for Lander 2 September 4, 1976. The criteria used in selecting the landing site are considered along with the procedure to be employed in the final approach of the lander to the planet and the touchdown. A description is given of the studies to be conducted by the lander, taking into account the search for life and the collection of meteorological and seismological data. Attention is also given to technical data concerning the spacecraft, details regarding the software, and the ground facilities on earth which are used for the Viking project.

Spitzer, C. R.↗
NASA NTRS1978

The AFGL absolute gravity program

A brief discussion of the AFGL's (Air Force Geophysics Laboratory) program in absolute gravity is presented. Support of outside work and in-house studies relating to gravity instrumentation are discussed. A description of the current transportable system is included and the latest results are presented. These results show good agreement with measurements at the AFGL site by an Italian system. The accuracy obtained by the transportable apparatus is better than 0.1 microns sq sec 10 microgal and agreement with previous measurements is within the combined uncertainties of the measurements.

Hammond, J. A.↗
NASA NTRS1995

The NASA landing gear test airplane

A tire and landing gear test facility has been developed and incorporated into a Convair 990 aircraft. The system can simulate tire vertical load profiles to 250,000 lb, sideslip angles to 15 degrees, and wheel braking on actual runways. Onboard computers control the preprogrammed test profiles through a feedback loop and also record three axis loads, tire slip angle, and tire condition. The aircraft to date has provided tire force and wear data for the Shuttle Orbiter tire on three different runways and at east and west coast landing sites. This report discusses the role of this facility in complementing existing ground tire and landing gear test facilities, and how this facility can simultaneously simulate the vertical load, tire slip, velocity, and surface for an entire aircraft landing. A description is given of the aircraft as well as the test system. An example of a typical test sequence is presented. Data collection and reduction from this facility are discussed, as well as accuracies of calculated parameters. Validation of the facility through ground and flight tests is presented. Tests to date have shown that this facility can operate at remote sites and gather complete data sets of load, slip, and velocity on actual runway surfaces. The ground and flight tests have led to a successful validation of this test facility.

Carter, John F.↗
NASA NTRS1998

Practice Oriented Master's in Optics

The development of an interdisciplinary Masters Program with a concentration in Optics and Photonics Technology has been is described. This program was developed under the U.S. Manufacturing Education and Training Activity of the Technology Reinvestment Project. This development was a collaboration between the University of Alabama in Huntsville (UAH), Alabama A&M University, Northwest Shoals Community College, the NASA Marshall Space Flight Center (MSFC), the U.S. Army Missile Command, Oak Ridge National Laboratory (ORNL), Advanced Optical Systems Inc., Dynetics, Inc., Hughes Danbury Optical Systems, Inc., Nichols Research and Speedring Inc. These organizations as well as the National Institute for Standards and Technology and SCI, Inc. have been participating fully in the design, development and implementation of this program. This goal of the program is to produce highly trained graduates who can also solve practical problems. To this end, the program includes an on-site practicum at a manufacturing location. The broad curriculum of this program emphasizes the fundamentals of optics, optical systems manufacturing and testing, and the principles of design and manufacturing to cost for commercial products. The Master's of Science (MS) in Physics and Master's of Science in Engineering (MSE) in Electrical Engineering Degrees with concentration in Optics and Photonics Technology are offered by the respective UAH academic departments with support from and in consultation with a Steering Committee composed of representatives from each of the participating organizations, and a student representative from UAH. The origins of the programs are described. The curricula of the programs is described. The course outlines of the new courses which were developed for the new curriculum are included. Also included are samples of on-site practicums which the students have been involved in. Also included as attachments are samples of the advertisements, which includes flyers, and the program description given to prospective students. The expenditures in the development and information about the cost sharing among the participating organizations is also included. Finally a listing membership of the steering committee is attached.

Dimmock, John O.↗
NASA NTRS1999

SMART (Shop floor Modeling, Analysis and Reporting Tool Project

This document presents summarizes the design and prototype of the Shop floor Modeling, Analysis, and Reporting Tool (S.M.A.R.T.) A detailed description of it is found on the full documentation given to the NASA liaison. This documentation is also found on the A.R.I.S.E. Center web site, under a projected directory. Only authorized users can gain access to this site.

Centeno, Martha A.↗
NASA NTRS2011

Shuttle Hypervelocity Impact Database

With three missions outstanding, the Shuttle Hypervelocity Impact Database has nearly 3000 entries. The data is divided into tables for crew module windows, payload bay door radiators and thermal protection system regions, with window impacts compromising just over half the records. In general, the database provides dimensions of hypervelocity impact damage, a component level location (i.e., window number or radiator panel number) and the orbiter mission when the impact occurred. Additional detail on the type of particle that produced the damage site is provided when sampling data and definitive analysis results are available. Details and insights on the contents of the database including examples of descriptive statistics will be provided. Post flight impact damage inspection and sampling techniques that were employed during the different observation campaigns will also be discussed. Potential enhancements to the database structure and availability of the data for other researchers will be addressed in the Future Work section. A related database of returned surfaces from the International Space Station will also be introduced.

Hyde, James L.↗
DOE OSTI2024

Description of the Gas Sampling and Circulation System for the LYNM PE1-A Experiment

A series of multiphysics experiments, referred to as Physics Experiment 1 (PE1) is underway at the U.S. Nevada National Security Site. The PE1 series includes detonations of three underground chemical explosions. As the name implies, there are a number of experiments investigating the signals generated by the explosion. The experiment series objectives are outlined in a report from Lawrence Livermore National Laboratory.1 One of the experiments is a gas migration experiment. Gas tracers were imbedded in the explosives and gas sampling boreholes were installed in the formation in the test bed. Connected to the monitoring points is a circulation system that moves gas to a central measurement location. This report does not describe the gas analysis or collection systems, but rather the circulation system that provides the gas for measurement. Here, we have combined four project documents into a single report that describes the design, build, installation, testing, and operation of the gas sampling network.

42 ENGINEERING↗
DOE OSTI2023

Role of local atomic short-range order distribution in alloys: Why it matters in Si-Ge-Sn alloys

Short-range order (SRO) in alloys refers to deviations from a perfectly random distribution of atoms in lattice sites within a short distance. Conventionally, the degree of the deviations has been quantified using an average SRO parameter, but such a coarse-grained description does not reflect how the deviations occur at a finer level. Here we show the distribution of the local atomic SRO parameter, which describes the occurring frequency of a local structural motif, carries the crucial information for both structures and properties in Si-Ge-Sn alloy system. Here this is demonstrated through the fact that distinct SRO structures can exhibit the same average SRO parameter but very different distributions and disparate electronic structures. By deliberately creating special structures that explicitly match the structural information at different levels, we show the distribution of local atomic SRO parameters contain critical structural features that are missing in the average SRO parameter but can substantially contribute to material’s properties. Our finding thus calls for the need for considering the finer structural details to effectively describe alloys’ structures and properties.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Workflow for Developing and Operating Subsurface Hydrogen Storage Facilities in Porous Reservoirs

Long-duration (seasonal) storage of natural gas (NG), which primarily consists of methane (CH 4 ), has been practiced for more than a hundred years at underground gas storage (UGS) facilities that use depleted hydrocarbon reservoirs, saline aquifers, and salt caverns. To enable hydrogen (H 2 ) to be used as a long-duration, energy-storage medium, similar facilities are envisioned for underground H 2 storage (UHS) of either H 2 or H 2 /NG mixtures. Experience with UGS can be used to guide recommended practices for developing and operating UHS facilities in porous reservoirs. The most important factors (formation/fluid properties and engineering choices) that influence the performance of UHS reservoirs have been identified and quantified in previous studies. These factors and choices influence phenomena that determine the sweep efficiency of the stored working gas. These phenomena include viscous fingering, hysteretic capillary trapping, and gravity override of the working gas, as well as the upconing of nonproductive fluid that determine the sweep efficiency of the stored working gas. This report describes initial recommended-practices and a project-development workflow for UHS facilities that utilize porous reservoirs, based on the current state-of-knowledge about H 2 behavior in the subsurface. The workflow sequentially addresses all aspects of UHS project development, including the identification of H 2 sources and users, site ranking and down-selection, geologic and reservoir-engineering characterization, reservoir design, testing, risk management, commissioning, operations, and monitoring for a UHS facility. The goal is to enable UHS facilities to be developed in an efficient and timely manner, while carefully managing project risks. This workflow is similar to that which has been developed for UGS facilities (see Figure 1 of API, 2022), with the addition of tasks and subtasks specific to H 2 and UHS. The project-development workflow is broken down into three major stages: (1) define the H 2 use case; (2) rank, down-select, and characterize potential, candidate UHS sites; and (3) reservoir design, integrity testing, risk assessment, commissioning, operations, and monitoring for selected UHS sites. Each major stage is further broken down into tasks and subtasks, which are described at a high level. This report also provides more detailed descriptions of all tasks and subtasks that involve reservoir analysis and testing.

08 HYDROGEN↗
NASA NTRS1979

A Continuation of Base-Line Studies for Environmentally Monitoring Space Transportation System (STS) at John F. Kennedy Space Center: Terrestrial Community Analysis - Volume 1

Vegetation and small mammal populations in or around the Merritt Island area were studied. Thirty sites were selected from plant communities which were relatively free of logging, grazing, and clearing operations. The vegetative analysis was designed to yield a quantitative description and ecological explanation of the major types of upland vegetation in order to determine the possible future effects of NASA space activities on them. Changes in the relative abundance of small mammal populations, species diversity, standing crop biomass, reproductive activity, and other demographic features were documented in order to gather sufficient information on these populations so that it would be possible to detect even the smaller nonnatural behavior changes in the mammals which might be attributable to NASA space activities.

Stout, I. J.↗
NASA NTRS1991

ICADS: A cooperative decision making model with CLIPS experts

A cooperative decision making model is described which is comprised of six concurrently executing domain experts coordinated by a blackboard control expert. The focus application field is architectural design, and the domain experts represent consultants in the area of daylighting, noise control, structural support, cost estimating, space planning, and climate responsiveness. Both the domain experts and the blackboard were implemented as production systems, using an enhanced version of the basic CLIPS package. Acting in unison as an Expert Design Advisor, the domain and control experts react to the evolving design solution progressively developed by the user in a 2-D CAD drawing environment. A Geometry Interpreter maps each drawing action taken by the user to real world objects, such as spaces, walls, windows, and doors. These objects, endowed with geometric and nongeometric attributes, are stored as frames in a semantic network. Object descriptions are derived partly from the geometry of the drawing environment and partly from knowledge bases containing prototypical, generalized information about the building type and site conditions under consideration.

Pohl, Jens↗
NASA NTRS1995

STS 63: Post Flight Presentation

At a post flight conference, Captain Jim Wetherbee, of STS Flight 63, introduces each of the other members of the STS 63 crew (Eileen Collins, Pilot; Dr. Bernard Harris, Payload Commander; Dr. Michael Foale, Mission Specialist from England; Dr. Janice Voss, Misssion Specialist; and Colonel Vladimir Titor, Misssion Specialist from Russia. A short biography of each member and a brief description of their assignment during this mission is given. A film was shown that included the preflight suit-up, a view of the launch site, the actual night launch, a tour of the Space Shuttle and several of the experiment areas, several views of earth and the MIR Space Station and cosmonauts, the MIR-Space Shuttle rendezvous, the deployment of the Spartan Ultraviolet Telescope, Foale and Harris's EVA and space walk, the retrieval of Spartan, and the night entry home, including the landing. Several spaceborne experiments were introduced: the radiation monitoring experiment, environment monitoring experiment, solid surface combustion experiment, and protein crystal growth and plant growth experiments. This conference ended with still, color pictures, taken by the astronauts during the entire STS 63 flight, being shown.

Source record↗
NASA NTRS1999

The Sun in Time

Leveraging funds from NASA's Initiative to Develop Education through Astronomy and Space Science (IDEAS) program, we combined the expertise of an archaeoastronomer, a solar scientist, and a teacher to trace humankind's view of the Sun and how that has changed, from the time of Stonehenge in about 1800 B.C.E., to the time of the Maya in 700 C.E., up to the modem era. Our program was aimed at middle-school students in an attempt to explain not only how science is done today, but how science has evolved from the observations of ancient societies. From these varied cultures, we touched on methods of observing the Sun, ideas of the composition of the Sun, and the relationship of the Sun to everyday life. Further, using the von Braun Astronomical Society's Planetarium in Huntsville, Alabama as a test-bed for the program, we illustrated concepts such as solstices, equinoxes, and local noon with approximately 800 eighth grade students from the local area. Our presentation to SEPA will include a description of NASA's IDEAS program and how to go about partnering with a NASA astronomer, some slides from our planetarium program and web-site, and some hands-on activities.

Adams, Mitzi L.↗
NASA NTRS1981

Develop and test fuel cell powered on-site integrated total energy system. Phase 3: Full-scale power plant development

An integrated 5 kW power system based upon methanol fuel and a phosphoric acid fuel cell operating at about 473 K is described. Description includes test results of advanced fuel cell catalysts, a semiautomatic acid replenishment system and a completed 5 kW methanol/system reformer. The results of a preliminary system test on a reformer/stack/inverter combination are reported. An initial design for a 25 kW stack is presented. Experimental plans are outlined for data acquisition necessary for design of a 50 kW methanol/steam reformer. Activities related to complete mathematical modelling of the integrated power system, including wasteheat utilization, are described.

Kaufman, A.↗
NASA NTRS2022

Preparing the Mars Relay Network for the Arrival of the Perseverance Rover at Mars

The Perseverance rover represents NASA’s latest achievement in Mars exploration. Landing successfully on 18 Feb 2021, the rover’s transmitted data during its entry, descent, and landing (EDL) were captured by the Mars Reconnaissance Orbiter (MRO) and the Mars Atmosphere and Volatile Evolution (MAVEN) orbiter. This data, broadcast in near-realtime to the world, allowed everyone to share in the excitement (and “terror”) of the day. The images returned thereafter included the first images of the new landing site, video of the landing itself taken from a variety of vantage points, and eventually the historic images of the first powered flight on another planet. Behind the scenes, the return of that data to Earth was accomplished via Mars orbiters operated by NASA and ESA, using three different ground tracking networks. Considered together, this Mars Relay Network (MRN) enabled the successful, timely, and unobtrusive return of the rover’s data. This paper describes the preparations taken by the participants of the MRN in anticipation of the arrival of Perseverance at Mars. These were not only focused on successfully acquiring the rover’s critical event telemetry during its EDL, but also on readying the network to return the rover’s data on an ongoing basis as it pursued its mission objectives. Included is a brief description of the MRN, which represents a highly successful international collaboration and continues as critical infrastructure for NASA’s and ESA’s ongoing Mars exploration. Also summarized are the activities performed prior to EDL, including landing site reconnaissance and mission test and training activities; those activities performed on EDL day, especially the recording, return, and processing of the rover’s critical event telemetry; and those activities that are now being performed on an ongoing basis during the rover’s surface operations, including an outline of the planning processes that enable relay services. Finally, a description of the performance of the network to-date on behalf of the Perseverance rover is given, summarizing the success of the network to provide support to both it and other spacecraft on the surface of Mars.

Srnka, Evan↗
DOE OSTI2026

Design Rules for Open-Shell Molecular Wires: Insights from Correlated Many-Body Transport

Open-shell π-conjugated systems have emerged as promising molecular wires that can sustain unusually high low-bias conductance over tens of nanometers. However, predictive design rules remain limited because near-degeneracy and spin polarization give rise to correlated electronic states that are not reliably captured by standard density functional theory and Landauer transport descriptions. Here, we establish physically transparent design rules for long-range, weakly length-dependent charge transport based on the interplay between bond-length alternation and electron–electron interactions. Using a fully correlated transport framework that combines density matrix renormalization group calculations with nonequilibrium Green’s function embedding, we show that weak dimerization maintains spatially extended edge states, while moderate on-site interaction stabilizes open-shell character without excessively separating transport-relevant resonances. This balance yields zero-bias transmission that is largely insensitive to molecular length, providing a route to connect chemically tunable structure to correlated transport beyond mean-field descriptions.

Charge transport↗