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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↗

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↗

NASA NTRS1994

AXAF SIM focus mechanism study

The design requirements and initial design concept for the AXAF-I Science Instrument Module (SIM) were reviewed at Ball on September 29, 1993. The concept design SIM focus mechanism utilizes a planetary gearset, with redundant motors, to drive a large ring (called 'main housing bearing') via a spur gearset. This large drive ring actuates three tangent bar links (called 'push rods'), which in turn actuate three levers (called 'pin levers'). Each of the three pin levers rotates an 'eccentric pin,' which in turn moves the base of a bipod flexure in both the radial (normal to optical axis) and axial (focus along optical axis) directions. Three bipod flexures are employed, equally spaced at 120 degrees apart, the base of each being translated in the two directions as described above. A focus adjustment is made by rotating the drive ring, which drives the push rods and therefore the pin levers, which in turn rotate the eccentric pins, finally imparting the two motions to the base of each of the bipod flexures. The axial translation (focus adjustment) of the focused structure is the sum of the direct axial motion plus axial motion which comes from uniformly squeezing the three bipod bases radially inward. SAO documented the following concerns regarding the focus mechanism in memo WAP-FY94-001, dated October 7, 1993: (1) The focus adjustment depends, in large part, on the structural properties (stiffnesses and end fixities) of the bipod flexures, push rods, pin levers and eccentric pins. If these properties are not matched very well, then lateral translations as well as unwanted rotations of the focussed structure will accompany focus motion. In addition, the stackup of linkage tolerances and any nonuniform wear in the linkages will result in the same unwanted motions. Thermal gradients will also affect these motions. At the review Ball did not present supporting analyses to support their choice of this design concept. (2) The proposed 'primary' method of measuring focus is by counting motor steps. The 'backup' method is by a pot mounted on the drive ring. Neither method provides for a direct measurement of the quantity desired (focus position). This is of concern because of the long and indirect relationship between focus and the sensed quantity (drive ring rotation). There are three sinusoidal relationships and structural stiffness in the path, and the resulting calibration is likely to be highly nonlinear. These methods would require an accurate ground calibration. (3) Ground calibration (and verification) of focus vs. drive position must be done in 1-g on the ground. This calibration will be complicated by both the structural characteristics of the bipods and the fact that the CG of the translating portion of the SIM is not on the optical axis (thereby causing unwated rotations and changing the focus position vs. motor step and pot readout relationships). The SIM translating weight could be offloaded, but the calibration then becomes sensitive to any errors in offloading (both magnitude and direction). There are concerns as to whether a calibration to the required accuracy can be accomplished on the ground. (4) The choice of a potentiometer as the focus position sensor is questionable in terms of reliability for a five year mission. The results of SAO's study of items 1, 2 and 3 described above are presented in this report.

Tananbaum, H. D.↗

NASA NTRS2000

Searching for Extrasolar Planets with SIM

The Space Interferometry Mission (SIM) will be the first spacebased long base-line Michelson interferometer designed for precision astrometry. SIM will extend the reach of astrometry to cover the entire Galaxy, and will address a wide range of problems in Galactic structure and stellar astrophysics. It will also serve as a technology precursor for future astrophysics missions using interferometers. SIM will be a powerful tool for discovering planets around nearby stars, through detection of the reflex motion, and it will directly measure masses for the planets detected this way. It will have a single-measurement precision of 1 microarcsecond in a frame defined by nearby reference stars, enabling SIM to search for planets with masses as small as a few earth masses around the nearest star. More massive planets will be detectable to much larger distances.

Unwin, Stephen C.↗

NASA NTRS2003

Phasor algorithms of the SIM fringe estimation

The Space Interferometry Mission (SIM) will provide unprecedented micro-arcsecond (pas) precision to search for extra-solar planets and possible life in the universe. SIM will also revolutionize our understanding of the dynamics and evolutions of the local universe through hundred-fold improvements of inertial astrometry measurements. SIM has two so-called guide interferometers to provide stable inertial orientation knowledge of the baseline, and a science interferometer to measure target fringes. The guide and science measurements are based on the fringe phase measurements using a CCD detector. One of the key issues with SIM is to develop a new algorithm for calculation of fringe parameters. Not only astrometric results need that new algorithm, but also real-time fringe tracking requires a new method to calculate phase and visibility fast and accurately. The formulas for the phasor algorithms for fringe estimation are presented. The signal-noise ratio performances of the fringe quadratures are demonstrated. The advantages of phasor algorithms for application of fast fringe tracking and on-board data compression are discussed.

interferometry↗