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At least 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

ToF-SIMS spectral analysis of Shewanella oneidensis MR-1 biofilms

Analysis of bacterial biofilms is particularly challenging and important with diverse applications from systems biology to biotechnology. Among the variety of techniques that have been applied, time-of-flight secondary ion mass spectrometry (ToF-SIMS) has many powerful features in studying the surface characteristics of biofilms. ToF-SIMS offers high spatial resolution, mass resolution, and mass accuracy, which permit surface sensitive analysis of biofilm components. Thus, ToF-SIMS provides a powerful solution to addressing the challenge of bacterial biofilm analysis. This dataset covers ToF-SIMS analysis of Shewanella oneidensis MR-1 isolated from freshwater lake sediment in New York state. The MR-1 strain is known to have metal and sulfur reducing properties and it can be used for bioremediation and wastewater treatment. There is a current need to identify small molecules and fragments produced from bacterial biofilms, especially those from extracellular polymeric substance (EPS). Static ToF-SIMS spectra of MR-1 were obtained using an IONTOF TOF.SIMS V instrument equipped with a 25 keV Bi$^+_3$ metal ion gun. Identified molecules and molecular fragments are compared against known biological databases and the reported peaks have at least 65 ppm mass accuracy. These molecules range from lipids, fatty acids, flavonoids, and quinolones to other naturally occurring organic compounds. It is anticipated that the mass spectral identification of key peaks will assist detection of metabolites, EPS molecules like polysaccharides, and biologically relevant small organic molecules using ToF-SIMS in future surface and interface research.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Studying microbially induced corrosion on glass using ToF-SIMS

Microbially induced corrosion (MIC) is an emerging topic that has huge environmental impacts, such as long-term evaluation of microbial interactions with radioactive waste glass, environmental cleanup and disposal of radioactive material, and weathering effects of microbes. Time-of-flight secondary ion mass spectrometry (ToF-SIMS), a powerful mass spectral imaging technique with high surface sensitivity, mass resolution, and mass accuracy, can be used to study biofilm effects on different substrates. Understanding how to prepare biofilms on MIC susceptible substrates is critical for proper analysis via ToF-SIMS. We present here a step-by-step protocol for preparing bacterial biofilms for ToF-SIMS analysis, comparing three biofilm preparation techniques: no desalination, centrifugal spinning (CS), and water submersion (WS). Comparisons of two desalinating methods, CS and WS, show a decrease in the media peaks up to 99% using CS and 55% using WS, respectively. Proper desalination methods also can increase biological signals by over four times for fatty acids using WS, for example. ToF-SIMS spectral results show chemical compositional changes of the glass exposed in a Paenibacillus polymyxa SCE2 biofilm, indicating its capability to probe microbiologically induced corrosion of solid surfaces. This represents the proper desalination technique to use without significantly altering biofilm structure and substrate for ToF-SIMS analysis. ToF-SIMS spectral results showed chemical compositional changes of the glass exposed by a Paenibacillus bacterial biofilm over 3-month inoculation. Finally, possible MIC products include various phosphate phase molecules not observed in any control samples with the highest percent increases when experimental samples were compared with biofilm control samples.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Review of recent WEC-Sim (v6.1) advanced features

WEC-Sim (Wave Energy Converter SIMulator) is an opensource software for modeling the motions, loads and power generation of wave energy converters. WEC-Sim performs simulations in the time domain using hydrodynamic coefficients calculated by boundary element method (BEM) frequency-domain potential flow solvers such as WAMIT, NEMOH, Capytaine, or Ansys AQWA. WEC-Sim development is ongoing, including various features, applications, and example cases used to demonstrate potential use-cases to meet the needs of the growing marine energy industry. Through input from a broad user base and an extensive team of developers and collaborators, new features of WEC-Sim are developed to expand the software’s use cases and improve overall functionality. Three new WEC-Sim features highlighted in this paper include updating WEC-Sim to be compatible with MoorDyn Version 2, incorporation of second order excitation loads (quadratic transfer functions) and allowing for dynamically changing hydrodynamics.

13 HYDRO ENERGY↗
NASA NTRS2000

SIM Configuration Evolution

The Space Interferometry Mission (SIM) is a space-based 10 m baseline Michelson interferometer. Planned for launch in 2005 aboard a Delta III launch vehicle, or equivalent, its primary objective is to measure the positions of stars and other celestial objects with an unprecedented accuracy of 4 micro arc seconds. With such an instrument, tremendous advancement can be expected in our understanding of stellar and galactic dynamics. Using triangulation from opposite sides of the orbit around the sun (i.e. by using parallax) one can measure the distance to any observable object in our galaxy. By directly measuring the orbital wobble of nearby stars, the mass and orbit of planets can be determined over a wide range of parameters. The distribution of velocity within nearby galaxies will be measurable. Observations of these and other objects will improve the calibration of distance estimators by more than an order of magnitude. This will permit a much better determination of the Hubble Constant as well as improving our overall understanding of the evolution of the universe. SIM has undergone several transformations, especially over the past year and a half since the start of Phase A. During this phase of a project, it is desirable to perform system-level trade studies, so the substantial evolution of the design that has occurred is quite appropriate. Part of the trade-off process has addressed two major underlying architectures: SIM Classic; and Son of SIM. The difference between these two architectures is related to the overall arrangement of the optical elements and the associated metrology system. Several different configurations have been developed for each architecture. Each configuration is the result of design choices that are influenced by many competing considerations. Some of the more important aspects will be discussed. The Space Interferometry Mission has some extremely challenging goals: millikelvin thermal stability, nanometer stabilization of optics, picometer measurement of wavefront, and others. In order to meet these goals, a significant amount of technological development is required. Although there has been a program operating for about a decade developing technologies specifically to address the challenges of space-based interferometry, there still remains a tremendous effort to achieve the incredible accuracy required of SIM. The projected viability of some of these areas has influenced design choices during the evolution of the many configurations that have been developed. For instance, the perceived complexity of the IR laser metrology system used to measure and control the positions of key optical elements was the strongest discriminator between the two architectures, and led to a decision to select SOS rather than Classic in early 1998. More recently, an appreciation of the sensitivity to beam-walk within the SOS architecture is forcing a reconsideration of that decision. At the time of submission of this abstract, there is some hope that a full-aperture metrology system may alleviate this issue. In addition to describing the current configuration of SIM, the influence of a few selected areas on the evolution of the configuration will be discussed.

Aaron, Kim M.↗
NASA NTRS2004

SIM spectral characteristics and accuracy analysis

The Space Interferometry Mission (SIM) will perform global astrometry (full sky), local wide-angle (15 degree) and narrow-angle (1 degree) observations to search extra-solar planets, and can calibrate stellar and galactic evolution theories. The astrometric accuracy of the SIM mission depends on spectral characteristics of the optics, detectors and targets. This paper will discuss the photometric throughput of the SIM instrument, and analyze effects of wavefront errors, optical mismatches and control biases as a function of wavelength. The color dependence models of the instrument optics including mirrors, lenses, field-stop and beam-splitter are presented. The performances of different detectors with a variety of coatings are compared. A model of the SIM fringe spectrometer is created. For early and late types of stars, brightness dependency errors are analyzed for different combinations of optics and detectors. Visibility loss due to imperfect optics is investigated in detail. Based on the models of instrument and estimated visibilities, the astrometric accuracies for various kinds of stars are evaluated. It is important to emphasize that not only light sources, mirrors, lenses, field stop and detectors are all wavelength dependent, but also fringe visibility loss, wavefront error, optics control error, etc. are all a function of wavelengths. For the first time the estimate of SIM performance is based on spectral analysis of all factors above, rather than monochromatic approximations of detected fringes, or simply adopted constants. This paper summarizes the astrometric accuracies for a wide range of stars and various combinations of optical design and detector configurations. It has been verified that SIM has astrometric accuracy of about 4 μas for targets with different spectra.

Shao, Michael↗
NASA NTRS2006

The SIM PlanetQuest science program

SIM PlanetQuest (hereafter, just SIM) is a NASA mission to measure the angular positions of stars with unprecedented accuracy. We outline the main astrophysical science programs planned for SIM, and related opportunities for community participation. We focus especially on SIM’s ability to detect exoplanets as small as the Earth around nearby stars. The planned synergy between SIM and other planet-finding missions including Kepler and GAIA, and planetcharacterizing missions including the James Webb Space Telescope (JWST), Terrestrial Planet Finder – Coronagraph (TPF-C), and Terrestrial Planet Finder – Interferometer (TPF-I), is a key element in NASA’s Navigator Program to find Earth-like planets, determine their habitability, and search for signs of life in the universe. SIM's technology development is now complete and the project is proceeding towards a launch early next decade.

Marr, James C. IV↗
NASA NTRSDate not supplied

Comparing Analysis of Hydrogen Concentration in Astromaterials Nominally Anhydrous Minerals by Multiple SIMS

Secondary Ion Mass Spectrometry (SIMS) is utilized to determine hydrogen (H) concentration in astromaterials nominally anhydrous minerals (NAMs) and their inclusions [e.g., 1]. This data is interpreted to refine the volatile history of planetary bodies. Four instruments are being used to compare H concentration analysis: a large geometry SIMS (The University of Hawaiʻi Cameca IMS 1280), a compact SIMS (Arizona State University (ASU) Cameca IMS 6f), and two Cameca NanoSIMS 50L at ASU and NASA-Johnson Space Center (JSC). Results on the first three instruments are available. Although fundamentally similar, SIMS instruments and their modifications [2] may produce different values or pose advantages for H analysis, especially for shocked samples that are susceptible to contamination filling their fractures. New data from the IMS 1280 is reported, using its microchannel plate (MCP) to image high H signals in grain fractures during pre-sputtering to avoid them as much as possible. Between fractures, 16 OH/ 30 Si was measured with a Cs + 4 nA primary beam, 30 micron spot size, and central ~5x5 micron collection area. First order comparison of H concentration (reported in ppm H 2 O) is achieved on a terrestrial gem quality clinopyroxene (SLP114, 162±12 ppm H 2 O [3]), with 157±7 and 215±40 ppm H 2 O by the IMS 1280 and 6f respectively. SIMS comparison is then extended to analysis of two Martian shergottites: RBT 04262 and NWA 5789. Due to a dense fracture network (< 20 micron) in RBT 04262, only one clinopyroxene hosted glassy inclusion was analyzed (n=6, ≤1 ppm H 2 O), while six olivine grains in NWA 5789 (n=12, ≤ 2 ppm H 2 O) (1s ±0.21) were analyzed. Higher concentrations were obtained for RBT 04262 olivine by the ASU NanoSIMS 50L (up to 350 ppm H 2 O [4]), and IMS 6f (300+ ppm H 2 O, [5]), for which contamination in fractures could not be avoided. Work on the JSC NanoSIMS 50L will further develop the SIMS comparison.

J.-M. Dudley↗
NASA NTRS2006

Results from SIM's Thermo-Opto-Mechanical (TOM3) Testbed

Future space-based optical interferometers, such as the Space Interferometer Mission Planet Quest (SIM), require thermal stability of the optical wavefront to the level of picometers in order to produce astrometric data at the micro-arc-second level. In SIM, the internal path of the interferometer will be measured with a small metrology beam whereas the starlight fringe position is estimated from a large concentric annular beam. To achieve the micro-arc-second observation goal for SIM, it is necessary to maintain the optical path difference between the central and the outer annulus portions of the wavefront of the front-end telescope optics to a few tens of picometers. The Thermo-Opto-Mecha nical testbed (TOM3) was developed at the Jet Propulsion Laboratory to measure thermally induced optical deformations of a full-size flight-like beam compressor and siderostat, the two largest optics on SIM, in flight-like thermal environments. A Common Path Heterodyne Interferometer (COPHI) developed at JPL was used for the fine optical path difference measurement as the metrology sensor. The system was integrated inside a large vacuum chamber in order to mitigate the atmospheric and thermal disturbances. The siderostat was installed in a temperature-controlled thermal shroud inside the vacuum chamber, creating a flight-like thermal environment. Detailed thermal and structural models of the test articles (siderostat and compressor) were also developed for model prediction and correlation of the thermal deformations. Experimental data shows SIM required thermal stability of the test articles and good agreement with the model predictions.

interferometry↗
NASA NTRS2006

SIMsim: An End-to-end Simulator for the SIM Mission

In this paper we discuss the use of an innovative SIM simulator, called SIMsim, to perform end-to end simulations of the SIM mission. The inputs to the simulator are a physically-based parameterization of the major SIM error sources and the output is the mission astrometric accuracy for various observing scenarios such as narrow-angle (NA) and wide-angle (WA) observations. The primary role of SIMsim is to validate the SIM astrometric error budget (AEB), bit it is also being used to study a variety of mission performance issues as well as being a test-bed for prototype data reduction algorithms. SIMsim is giving us confidence that the SIM AEB is a valid estimate of mission performance. It also is illustrating where analytical formulas for estimating certain effects breakdown and a numerical approach has to be adopted.

sumulation↗
DOE OSTI2024

Machine Learning Correlation of Electron Micrographs and ToF-SIMS for the Analysis of Organic Biomarkers in Mudstone

The spatial distribution of organics in geological samples can be used to determine when and how these organics were incorporated into the host rock. Mass spectrometry (MS) imaging can rapidly collect a large amount of data, but ions produced are mixed without discrimination, resulting in complex mass spectra that can be difficult to interpret. Here, we apply unsupervised and supervised machine learning (ML) to help interpret spectra from time-of-flight-secondary ion mass spectrometry (ToF-SIMS) of an organic-carbon-rich mudstone of the Middle Jurassic of England (UK). It was previously shown that the presence of sterane molecular biomarkers in this sample can be detected via ToF-SIMS (Pasterski, M. J. et al., Astrobiology 2023, 23, 936). We use unsupervised ML on scanning electron microscopy–electron dispersive spectroscopy (SEM-EDS) measurements to define compositional categories based on differences in elemental abundances. We then test the ability of four ML algorithms─k-nearest neighbors (KNN), recursive partitioning and regressive trees (RPART), eXtreme gradient boost (XGBoost), and random forest (RF)─to classify the ToF-SIM spectra using (1) the categories assigned via SEM-EDS, (2) organic and inorganic labels assigned via SEM-EDS, and (3) the presence or absence of detectable steranes in ToF-SIMS spectra. In terms of predictive accuracy and balanced accuracy, KNN was the best performing model and RPART the worst. The feature importance, or the specific features of the ToF-SIM spectra used by the models to make classifications, cannot be determined for KNN, preventing posthoc model interpretation. Nevertheless, the feature importance extracted from the other models was useful for interpreting spectra. In conclusion, we determined that some of the organic ions used to classify biomarker containing spectra may be fragment ions derived from kerogen which is abundant in this mudstone sample.

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

HERO WEC V1.0 - WEC-Sim Model (July 2024)

**This submission supersedes submission MHKDR-483** This submission file contains the files that are needed to simulate NREL's HERO WEC (hydraulic and electric reverse osmosis wave energy converter). This requires the user to have already installed WEC-Sim. In addition to the standard toolboxes that are required to run WEC-Sim the user will also need the Simscape Fluids and Simscape Driveline packages. The zip file (HERO_V1_WECSim_2024.zip) contains the following: - HERO_HPTO_2024.slx: Simulink-based WEC Sim model of the first gen (V1.0) Hydraulic PTO (power take-off) that was designed for the HERO WEC. This model has been updated since submission #483 based on in-laboratory experimental results. - wecSimInputFile.m: Input file needed to run the model - userDefinedFunctionsMCR.m: MCR (multi condition run) script that is needed if a use wants to simulate multiple wave conditions. - geometry (folder): Includes the geometry file that is needed for visualization - hydroData (folder): Includes the required WAMIT data to run WEC-Sim -HydVisualization.mlx: Visualization script to plot simulation results (not needed to run)

16 TIDAL AND WAVE POWER↗
NASA NTRS2006

SIM-PlanetQuest: Progress Report

SIM-PlanetQuest is a NASA astrophysics mission that is implementing the National Research Counsel's recommended Astrometric Interferometry Mission (AIM) to develop the first, in-space, optical, long-baseline Michelson Stellar Interferometer for performing micro-arcsecond-level astrometry. This level of astrometric precision will enable characterization of planetary systems around nearby stars and enable a number of key investigations in astrophysics including calibration of the cosmological distance scale, stellar and galactic structure and evolution, and dark matter/energy distribution. This paper provides an update on the SIM-PlanetQuest Mission covering the results of the 2005 mission redesign and the recent completion of the last in a series of technology "gates." The SIM-PlanetQuest mission redesign was directed by NASA to recover eroded mass and power margins and to meet specific implementation cost targets. The resulting mission redesign met all redesign objectives with minimal impact to mission science performance. This paper provides the mission redesign objectives and describes the resulting mission and system design including changes in science capability. SIM-PlanetQuest also completed the last of eight major technology development gates that were established in 2001 by NASA, completing the enabling technology development. The technology development program, the last gate, and its significance to the project's flight verification and validation (V&V) approach are briefly described (covered in more detail in a separate paper at this conference). An update on project programmatic status and plans is also provided.

astrometry↗
DOE OSTI2024

Laboratory Upgrade Point Absorber WEC-Sim Model with MoorDyn Moorings

This dataset includes a WEC-Sim and MoorDyn model of the Laboratory Upgrade Point Absorber (LUPA). LUPA is an open-source wave energy converter designed and tested by Oregon State University. The files provided here constitute a stable LUPA configuration with three mooring lines. This model is 1/20 scale, optimized for the O.H. Hinsdale Wave Lab at Oregon State University. This model of LUPA adds MoorDyn functionality for more accurate mooring predictions and uses a more stable, updated version of LUPA's current physical configuration. This model is for WEC-Sim Version 6.0. A recent update of WEC-Sim has changed some functionality of MoorDyn such that this model will not work with WEC-Sim Version 6.1.

16 TIDAL AND WAVE POWER↗
NASA NTRS2004

Kite: Status of the External Metrology Testbed for SIM

Kite is a system level testbed for the External Metrology system of the Space Interferometry Mission (SIM). The External Metrology System is used to track the fiducial that are located at the centers of the interferometer's siderostats. The relative changes in their positions needs to be tracked to tens of picometers in order to correct for thermal measurements, the Kite testbed was build to test both the metrology gauges and out ability to optically model the system at these levels. The Kite testbed is an over-constraint system where 6 lengths are measured, but only 5 are needed to determine the system. The agreement in the over-constrained length needs to be on the order of 140 pm for the SIM Wide-Angle observing scenario and 8 pm for the Narrow-Angle observing scenario. We demonstrate that we have met the Wide-Angle goal with our current setup. For the Narrow-Angle case, we have only reached the goal for on-axis observations. We describe the testbed improvements that have been made since our initial results, and outline the future Kite changes that will add further effects that SIM faces in order to make the testbed more SIM like.

metrology↗
NASA NTRS2008

Recent Results of the Guide-2 Telescope Testbed for the SIM-Lite Mission

The Space Interferometry Mission Planet QuestLite (SIM-Lite) is a new mission concept to perform microarcsecond narrow-angle astrometry to search approximately 50 nearby stars for Earth-like planets, and also to perform a global astrometry. The SIM-Lite consists of two Michelson interferometers and one telescope. The main six-meter baseline science interferometer observes a target star and a set of reference stars. The four-meter baseline interferometer (Guide-1) monitors the attitude of the instrument in the direction of a target star. A new Guide-2telescope (G2T) tracks a bright star to monitor the attitude of the instrument in the other two orthogonal directions. In the current mission concept, the G2T consists of a 30 cm siderostat and a 30 cm confocal telescope, similar to other four telescopes used in the science and Guide-1interferometers. A testbed has been built to demonstrate the G2T feasibility for SIM-Lite mission. Recent results show that field-independent, star-tracking capability of the system is less than 30 (mu)as after the SIM narrow angle analysis.

Guide-2 Telescope↗
NASA NTRS2002

Space Interferometry Mission (SIM): Overview and current status

The Space Interferometry Mission (SIM) will be the first in-space, long-baseline Michelson Stellar Interferometer. SIM will perform precision astrometry at the micro-arcsecond accuracy level, which will be used to characterize planetary systems around stars within about ten parsecs of Earth and address a number of other key astrophysics projects. This paper provides a broad overview of the SIM Mission. Topics covered include: the science objectives, key top level requirements, how the mission will be implemented (technical and programmatic), technology development status, who the key players are in the SIM development, an assessment of where the project is today, and prognosis for the future.

interferometer↗
DOE OSTI2025

ToF-SIMS spectral analysis of pristine and neutron irradiated single crystal tungsten

Time-of-flight secondary ion mass spectrometry (ToF-SIMS) has many promising features in studying materials including high spatial resolution and high mass accuracy of elements, molecules, and isotopes. Its ability to resolve isotopes is especially attractive in studying transmutation products of single crystal tungsten (SCW) post neutron irradiation. Tungsten (W) is a contender of plasma facing materials (PFMs) due to its high thermal and radiological stability. PFMs to be used in the construction of fusion vessels are subject to high temperature and neutron irradiation, resulting in changes to materials including transmutation, which ultimately impact material mechanical and thermal properties. We used IONTOF TOF.SIMS V instrument equipped with a 30 keV Bi 3 + primary ion beam to study pristine SCW and irradiated SCW speciemens. Scanning electron microscope coupled with focused ion beam (SEM-FIB) was used to reduce the dosage of neutron irradiated tungsten and prepare for specimens for SIMS analysis. Static ToF-SIMS spectra were obtained, and transmutation product peak identification was presented in this work. Identified molecules and molecular fragments were compared against isotope theoretical mass to charge ratios of tungsten, rhenium, osmium, and other relevant products. Our results show that ToF-SIMS provides a viable means to study transmutation products of W post neutron irradiation. Such applications are suitable to investigate transmutation effects on materials that are being considered and developed for fusion pilot plants.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Updates to the Hanford Soil Inventory Model (SIM Version 2) for FY 2023

The purpose of this environmental calculation file (ECF) is to document the updates made to the Soil Inventory Model version 2.1 (SIM-v2.1) (ECF-HANFORD-21-0073, Updates to the Hanford Soil Inventory Model (SIM Version 2) for FY 2021) in FY 2023. These updates to SIM-v2.1 are referred to as the SIM-v2.2 version. The following updates have been made: • Include inventory estimate for a new analyte • hexavalent chromium (Cr(VI)), separate from total chromium inventory • Revise the inventory discharged to the 216-U-10 and 216-T-4 Pond systems based on partitioning of waste streams discharges over time and space among influent ditches and ponds • Enhance the preprocessing and postprocessing of the input and output files Note that the methodology for estimating Cr(VI) inventories is based on ECF-200W-23-0040, Recommendations for Updating Liquid Discharged Inventory and Transport Modeling Parameters for Cumulative Impacts Evaluation of Hexavalent Chromium in the 200 West Area while the revision of inventory discharged to the 216-U-10 and 216-T-4 Pond systems is based on ECF-HANFORD-19-0032, Distribution of Infiltration in the 216-U-10, 216-B-3 Pond, and 216-T-4 Pond Systems 1944-1997.

54 ENVIRONMENTAL SCIENCES↗