Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sim”

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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Enabling Scalable VQE Simulation on Leading HPC Systems

Large-scale simulations of quantum circuits pose significant challenges, especially in the context of quantum chemistry, due to the number of qubits, circuit depth, and the number of circuits needed per problem. High-performance computing (HPC) systems offer massive computational capabilities that could help overcome these obstacles. We developed a high-performance quantum circuit simulator, called NWQ-Sim, and demonstrate its capability to simulate large quantum chemistry problems on NERSC's Perlmutter supercomputer. Integrating NWQ-Sim with XACC, we have executed QPE and VQE algorithms for downfolded quantum chemistry systems at unprecedented scales. Our work demonstrates the potential of leveraging HPC resources to advance quantum chemistry and other applications of near-term quantum devices.

Wang, Meng↗
DOE OSTI2016

Materials and Methods for Streamlined Laboratory Analysis of Environmental Samples, FY 2016 Report

The International Atomic Energy Agency (IAEA) relies upon laboratory analysis of environmental samples (typically referred to as “swipes”) collected during on-site inspections of safeguarded facilities to support the detection and deterrence of undeclared activities. Unfortunately, chemical processing and assay of the samples is slow and expensive. A rapid, effective, and simple extraction process and analysis method is needed to provide certified results with improved timeliness at reduced costs (principally in the form of reduced labor), while maintaining or improving sensitivity and efficacy. To address these safeguard needs the Pacific Northwest National Laboratory (PNNL) explored and demonstrated improved methods for environmental sample (ES) analysis. Improvements for both bulk and particle analysis were explored. To facilitate continuity and adoption, the new sampling materials and processing methods will be compatible with existing IAEA protocols for ES analysis. PNNL collaborated with Oak Ridge National Laboratory (ORNL), which performed independent validation of the new bulk analysis methods and compared performance to traditional IAEA’s Network of Analytical Laboratories (NWAL) protocol. ORNL efforts are reported separately. This report describes PNNL’s FY 2016 progress, which was focused on analytical application supporting environmental monitoring of uranium enrichment plants and nuclear fuel processing. In the future the technology could be applied to other safeguard applications and analytes related to fuel manufacturing, reprocessing, etc. PNNL’s FY 2016 efforts were broken into two tasks and a summary of progress, accomplishments and highlights are provided below. Principal progress and accomplishments on Task 1, Optimize Materials and Methods for ICP-MS Environmental Sample Analysis, are listed below. • Completed initial procedure for rapid uranium extraction from ES swipes based upon carbonate-peroxide chemistry (delivered to ORNL for evaluation). • Explored improvements to carbonate-peroxide rapid uranium extraction chemistry. • Evaluated new sampling materials and methods (in collaboration with ORNL). • Demonstrated successful ES extractions from standard and novel swipes for a wide range uranium compounds of interest including UO 2 F 2 and UO 2 (NO 3 ) 2 , U 3 O 8 and uranium ore concentrate. • Completed initial discussions with commercial suppliers of PTFE swipe materials. • Submitted one manuscript for publication. Two additional drafts are being prepared. Principal progress and accomplishments on Task 2, Optimize Materials and Methods for Direct SIMS Environmental Sample Analysis, are listed below. • Designed a SIMS swipe sample holder that retrofits into existing equipment and provides simple, effective, and rapid mounting of ES samples for direct assay while enabling automation and laboratory integration. • Identified preferred conductive sampling materials with better performance characteristics. • Ran samples on the new PNNL NWAL equivalent Cameca 1280 SIMS system. • Obtained excellent agreement between isotopic ratios for certified materials and direct SIMS assay of very low levels of LEU and HEU UO 2 F 2 particles on carbon fiber sampling material. Sample activities range from 1 to 500 CPM (uranium mass on sample is dependent upon specific isotope ratio but is frequently in the subnanogram range). • Found that the presence of the UF molecular ions, as measured by SIMS, provides chemical information about the particle that is separate from the uranium isotopics and strongly suggests that those particles originated from an UF6 enrichment activity. • Submitted one manuscript for publication. Another manuscript is in preparation.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2021

DOE WPTO FY2021 Seedling End Report: Coupling Soil-Foundation Models to MHK Device Dynamic Models to Tighten the Design Envelope

The purpose of this Seedling project is to couple a marine renewable energy (MRE) dynamics simulation software with the soil-foundation models in the OC6 Phase II project [Bergua et al., 2021] and evaluate the software’s performance. This is a first step to accurately evaluating soil-foundation impacts on other types of MRE, like wave or current energy converters (WECs, CECs). OC6 Phase II compares offshore wind turbine (OWT) simulations using several different soil-foundation models to identify and fill key gaps in soil-foundation analyses. WEC-Sim was chosen to model the OC6 Phase II offshore wind turbine and various load cases because of its adaptability, accuracy of hydrodynamic loads, and ability to apply an arbitrary wind loading. Of the four methods used in OC6, the apparent fixity soil-foundation method was coupled with WEC-Sim. Technical challenges with flexible hydrodynamic bodies, added mass and external function libraries inhibited the ability to compare the WEC-Sim results to other OC6 participants. These challenges required that the WEC-Sim model of the OC6 OWT use a combination of rigid and flexible bodies to ensure a numerically stable solution. The rigid monopile creates a more stiff system and causes smaller amplitude motion under hydrodynamic loading and higher dominant frequency of motion under wind loading. These discrepancies are expected based on the increased stiffness of the WEC-Sim case.

16 TIDAL AND WAVE POWER↗
DOE OSTI2024

Smart Pixels: In-pixel AI for on-sensor data filtering

We present a smart pixel prototype readout integrated circuit (ROIC) designed in CMOS 28 nm bulk process, with in-pixel implementation of an artificial intelligence (AI) / machine learning (ML) based data filtering algorithm designed as proof-of-principle for a Phase III upgrade at the Large Hadron Collider (LHC) pixel detector. The first version of the ROIC consists of two matrices of 256 smart pixels, each 25$\times$25 µm\textsuperscript{2} in size. Each pixel consists of a charge-sensitive preamplifier with leakage current compensation and three auto-zero comparators for a 2-bit flash-type ADC. The frontend is capable of synchronously digitizing the sensor charge within 25 ns. Measurement results show an equivalent noise charge (ENC) of $\sim$30e\textsuperscript{-} and a total dispersion of $\sim$100e\textsuperscript{-} The second version of the ROIC uses a fully connected two-layer neural network (NN) to process information from a cluster of 256 pixels to determine if the pattern corresponds to highly desirable high-momentum particle tracks for selection and readout. The digital NN is embedded in-between analog signal processing regions of the 256 pixels without increasing the pixel size and is implemented as fully combinatorial digital logic to minimize power consumption and eliminate clock distribution, and is active only in the presence of an input signal. The total power consumption of the neural network is $\sim$ 300 $\mu$W. The NN performs momentum classification based on the generated cluster patterns and even with a modest momentum threshold, it is capable of 54.4\% – 75.4\% total data rejection, opening the possibility of using the pixel information at 40MHz for the trigger. The total power consumption of analog and digital functions per pixel is $\sim$ 6 $\mu$W per pixel, which corresponds to $\sim$ 1 W/cm\textsuperscript{2} staying within the experimental constraints.

Parpillon, Benjamin↗
DOE OSTI2024

MassIVE MSV000094084 - Data files for manuscript - Selected ion monitoring for orbitrap-based metabolomics: Please open README-data-for-SIM-paper-20240210.doc for details.

Orbitrap mass spectrometry in full scan mode enables the simultaneous detection of hundreds of metabolites and their isotope-labeled forms. Yet, sensitivity remains limiting for many metabolites, including low-concentration species, poor ionizers, and low-fractional-abundance isotope-labeled forms in isotope-tracing studies. Here, we explore selected ion monitoring (SIM) as a means of sensitivity enhancement. The analytes of interest are enriched in the orbitrap analyzer by using the quadrupole as a mass filter to select particular ions. In tissue extracts, SIM significantly enhances the detection of ions of low intensity, as indicated by improved signal-to-noise (S/N) ratios and measurement precision. In addition, SIM improves the accuracy of isotope-ratio measurements. SIM, however, must be deployed with care, as excessive accumulation in the orbitrap of similar m/z ions can lead, via space-charge effects, to decreased performance (signal loss, mass shift, and ion coalescence). Ion accumulation can be controlled by adjusting settings including injection time and target ion quantity. Overall, we suggest using a full scan to ensure broad metabolic coverage, in tandem with SIM, for the accurate quantitation of targeted low-intensity ions, and provide methods deploying this approach to enhance metabolome coverage. Please open README-data-for-SIM-paper-20240210.doc for details. [doi:10.25345/C5JH3DD3K] [dataset license: CC0 1.0 Universal (CC0 1.0)]

Rabinowitz, Joshua↗
DOE OSTI2026

Constraining the Stellar-to-Halo Mass Relation with Galaxy Clustering and Weak Lensing from DES Year 3 Data

We develop a framework to study the relation between the stellar mass of a galaxy and the total mass of its host dark matter halo using galaxy clustering and galaxy-galaxy lensing measurements. We model a wide range of scales, roughly from $\sim 100 \; {\rm kpc}$ to $\sim 100 \; {\rm Mpc}$, using a theoretical framework based on the Halo Occupation Distribution and data from Year 3 of the Dark Energy Survey (DES) dataset. The new advances of this work include: 1) the generation and validation of a new stellar mass-selected galaxy sample in the range of $\log M_\star/M_\odot \sim 9.6$ to $\sim 11.5$; 2) the joint-modeling framework of galaxy clustering and galaxy-galaxy lensing that is able to describe our stellar mass-selected sample deep into the 1-halo regime; and 3) stellar-to-halo mass relation (SHMR) constraints from this dataset. In general, our SHMR constraints agree well with existing literature with various weak lensing measurements. We constrain the free parameters in the SHMR functional form $\log M_\star (M_h) = \log(εM_1) + f\left[ \log\left( M_h / M_1 \right) \right] - f(0)$, with $f(x) \equiv -\log(10^{αx}+1) + δ[\log(1+\exp(x))]^γ/ [1+\exp(10^{-x})]$, to be $\log M_1 = 11.506^{+0.325}_{-0.404}$, $\log ε= -1.632^{+0.306}_{-0.181}$, $α= -1.638^{+0.108}_{-0.099}$, $γ= 0.596^{+0.251}_{-0.210}$ and $δ= 3.810^{+2.045}_{-1.811}$. The inferred average satellite fraction is within $\sim 5-35\%$ for our fiducial results and we do not see any clear trends with redshift or stellar mass. Furthermore, we find that the inferred average galaxy bias values follow the generally expected trends with stellar mass and redshift. Our study is the first SHMR in DES in this mass range, and we expect the stellar mass sample to be of general interest for other science cases.

Zacharegkas, G. [Argonne; Chicago U., KICP] (ORCID↗
DOE OSTI2018

Cold Filamentary Accretion and the Formation of Metal-poor Globular Clusters and Halo Stars

We propose that cold filamentary accretion in massive galaxies at high redshifts can lead to the formation of star-forming clumps in the halos of these galaxies without dark matter substructure. In certain cases, these clumps can be the birthplaces of metal-poor globular clusters (MP GCs). Using cosmological simulations, we show that narrow streams of dense gas feeding massive galaxies from the cosmic web can fragment, producing star-forming clumps. We then derive an analytical model for the properties of streams as a function of halo mass and redshift, and assess when these are gravitationally unstable, when this can lead to collapse and star formation in the halo, and when it may result in the formation of MP GCs. For stream metallicities $\gtrsim 0.01{Z}_{\odot }$, this is likely to occur at $z\gt 4.5$. At $z\sim 6$, the collapsing clouds have masses of $\sim (5\mbox{--}10)\times {10}^{7}\,{M}_{\odot }$, and the average stream pressure is $\sim {10}^{6}\,{\mathrm{cm}}^{-3}\,{\rm{K}}$. The conditions for GC formation are met in the extremely turbulent "eyewall" at $\sim 0.3{R}_{{\rm{v}}}$, where counter-rotating streams can collide, driving very large densities. Our scenario can account for the observed kinematics and spatial distribution of MP GCs, the correlation between their mass and metallicity, and the mass ratio between the GC system and the host halo. For MW-mass halos, we infer that $\sim 30 \% $ of MP GCs could have formed in this way, with the remainder likely accreted in mergers. Our predictions for GC formation along circumgalactic filaments at high redshift are testable with JWST.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

``Beads on a String" Star Formation Tied to one of the most Powerful AGN Outbursts Observed in a Cool Core Galaxy Cluster

With two central galaxies engaged in a major merger and a remarkable chain of 19 young stellar superclusters wound around them in projection, the galaxy cluster SDSS J1531+3414 ($z=0.335$) offers an excellent laboratory to study the interplay between mergers, AGN feedback, and star formation. New Chandra X-ray imaging reveals rapidly cooling hot ($T\sim 10^6$ K) intracluster gas, with two "wings" forming a concave density discontinuity near the edge of the cool core. LOFAR $144$ MHz observations uncover diffuse radio emission strikingly aligned with the "wings," suggesting that the "wings" are actually the opening to a giant X-ray supercavity. The steep radio emission is likely an ancient relic of one of the most energetic AGN outbursts observed, with $4pV > 10^{61}$ erg. To the north of the supercavity, GMOS detects warm ($T\sim 10^4$ K) ionized gas that enshrouds the stellar superclusters but is redshifted up to $+ 800$ km s$^{-1}$ with respect to the southern central galaxy. ALMA detects a similarly redshifted $\sim 10^{10}$ M$_\odot$ reservoir of cold ($T\sim 10^2$ K) molecular gas, but it is offset from the young stars by $\sim 1{-}3$ kpc. We propose that the multiphase gas originated from low-entropy gas entrained by the X-ray supercavity, attribute the offset between the young stars and the molecular gas to turbulent intracluster gas motions, and suggest that tidal interactions stimulated the "beads on a string" star formation morphology.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Searching for Planets with the Space Interferometry Mission

The Space Interferometry Mission (SIM) will be the first space-based long baseline Michelson interferometer designed for precision astrometry. It will address a wide range of problems in stellar astrophysics and Galactic structure, delivering precision astrometry of stars down to 20 magnitude throughout the entire Galaxy. SIM uses a 10-m Michelson interferometer in Earth-trailing solar orbit to provide 4 microarcsecond (gas) precision astrometry. With a 5-year mission lifetime, SIM will be a powerful tool for discovering planets around nearby stars, through detection of the stellar reflex motion. The astrometric method complements the radial velocity technique which as already yielded many new planets, with an important benefit of directly measuring planetary masses. SIM will have a single-measurement precision of 1 microarcsecond in a frame defined by nearby reference stars, enabling searches for planets with masses as small as a few earth masses around the nearest stars. More massive planets will be detectable to much larger distances. In addition to precision astrometry SIM will also serve an important role as a technology precursor for future astrophysics missions using interferometers. Two technologies demonstrated will be high dynamic-range aperture synthesis imaging at 10-milliarcsec resolution in the optical, and fringe nulling to 10 (exp -4).

Unwin, Stephen↗
NASA NTRS1991

Space Interferometry Mission: Measuring the Universe

The Space Interferometry Mission (SIM) will be the NASA Origins Program's first space based long baseline interferometric observatory. SIM will use a 10 m Michelson stellar interferometer to provide 4 microarcsecond precision absolute position measurements of stars down to 20th magnitude over its 5 yr. mission lifetime. SIM will also provide technology demonstrations of synthesis imaging and interferometric nulling. This paper describes the what, why and how of the SIM mission, including an overall mission and system description, science objectives, general description of how SIM makes its measurements, description of the design concepts now under consideration, operations concept, and supporting technology program.

Marr, James↗
NASA NTRS2000

Development Towards a Space Qualified Laser Stabilization System in Support of Space-Based Optical Interferometers

We report on the development, functional performance and space-qualification status of a laser stabilization system supporting a space-based metrology source used to measure changes in optical path lengths in space-based stellar interferometers. The Space Interferometry Mission (SIM) and Deep Space 3 (DS-3) are two missions currently funded by the National Aeronautics and Space Administration (NASA) that are space-based optical interferometers. In order to properly recombine the starlight received at each telescope of the interferometer it is necessary to perform high resolution laser metrology to stabilize the interferometer. A potentially significant error source in performing high resolution metrology length measurements is the potential for fluctuations in the laser gauge itself. If the laser frequency or wavelength is changing over time it will be misinterpreted as a length change in one of the legs of the interferometer. An analysis of the frequency stability requirement for SIM resulted in a fractional frequency stability requirement of square root (S(sub y)(f)) = <2 x 10(exp -12)/square root(Hz) at Fourier frequencies between 10 Hz and 1000 Hz. The DS-3 mission stability requirement is further increased to square root (S(sub y)(f)) = <5 x 10(exp -14)/Square root(Hz) at Fourier frequencies between 0.2 Hz and 10 kHz with a goal of extending the low frequency range to 0.05 Hz. The free running performance of the Lightwave Electronics NPRO lasers, which are the baseline laser for both SIM and DS-3 vary in stability and we have measured them to perform as follows (9 x l0(exp -11)/ f(Hz))(Hz)/square root(Hz)) = <( square root (S(sub y)(f)) = <(1.3 x l0(exp -8)/ f(Hz))/Square root(Hz). In order to improve the frequency stability of the laser we stabilize the laser to a high finesse optical cavity by locking the optical frequency of the laser to one of the transmission modes of the cavity. At JPL we have built a prototype space-qualifiable system meeting the stability requirements of SIM, which has been delivered to one of the SIM testbeds. We have also started on the development of a system to meet the stability needs of DS-3.

Seidel, David J.↗
NASA NTRS2000

Discovery of a 6.4 keV Emission Line in a Burst from SGR 1900+14

We present evidence indicating the presence of a 6.4 keV emission line during a burst from the soft gamma-ray repeater SGR 1900+14. The Rossi X-ray Timing Explorer (RXTE) Monitored this source extensively during its outburst in the summer of 1998. A strong burst observed on August 29, 1998 revealed a number of unique properties. The burst exhibits a precursor and is followed by a long ($\sim 10(+)3$ s) tail modulated at the 5.16 s stellar rotation period. The precursor has a duration of $\sim 0.85$ s and shows both significant spectral evolution as well as an emission feature centered near 6.4 keV during the first 0.3 s of the event, when the X-ray spectrum was hardest. The continuum during the burst is well fit with an optically thin thermal bremsstrahlung (OTTB) spectrum with the temperature ranging from as high as $\sim 40$ to as low as 10 keV. The line is strong, with an equivalent width of $\sim 400$ eV, and the centroid is consistent with Fe K-$\alpha$ fluorescence from relatively cool material. If the rest-frame energy is indeed 6.4 keV, then the lack of an observed redshift indicates that the source of the line is at least $\sim 80$ km above the surface of the neutron star. We briefly discuss the implications of the line detection in the context of models for SGRs.

Strohmayer, Tod↗
NASA NTRS2004

Astrophysics of Reference Frame Tie Objects

The Astrophysics of Reference Frame Tie Objects Key Science program will investigate the underlying physics of SIM grid objects. Extragalactic objects in the SIM grid will be used to tie the SIM reference frame to the quasi-inertial reference frame defined by extragalactic objects and to remove any residual frame rotation with respect to the extragalactic frame. The current realization of the extragalactic frame is the International Celestial Reference Frame (ICRF). The ICRF is defined by the radio positions of 212 extragalactic objects and is the IAU sanctioned fundamental astronomical reference frame. This key project will advance our knowledge of the physics of the objects which will make up the SIM grid, such as quasars and chromospherically active stars, and relates directly to the stability of the SIM reference frame. The following questions concerning the physics of reference frame tie objects will be investigated.

Johnston, Kenneth J.↗
NASA NTRS2011

How Does the Sun's Spectrum Vary?

Recent observations made by the Spectral Irradiance Monitor (SIM) on the Solar Radiation and Climate Experiment (SORCE) spacecraft suggest that the Sun's visible and infrared spectral irradiance increased from 2004 to 2008, even as the total solar irradiance measured simultaneously by SORCE's Total Irradiance Monitor (TIM) decreased. As well, solar ultraviolet (UV) irradiance decreased 3 to 10 times more than expected from prior observations and model calculations of the known effects of sunspot and facular solar features. Analysis of the SIM spectral irradiance observations during the solar minimum epoch of 2008, when solar activity was essentially invariant, exposes trends in the SIM observations relative to both total solar irradiance and solar activity that are unlikely solar in origin. We suggest that the SIM's radically different solar variability characterization is a consequence of undetected instrument sensitivity drifts, not true solar spectrum changes. It is thus doubtful that simulations of climate and atmospheric change using SIM measurements are indicative of real behavior in the Earth's climate and atmosphere.

Lean, Judith L.↗
DOE OSTI2024

Smart Pixels: In-pixel AI for on-sensor data filtering

We present a smart pixel prototype readout integrated circuit (ROIC) designed in CMOS 28 nm bulk process, with in-pixel implementation of an artificial intelligence (AI) / machine learning (ML) based data filtering algorithm designed as proof-of-principle for a Phase III upgrade at the Large Hadron Collider (LHC) pixel detector. The first version of the ROIC consists of two matrices of 256 smart pixels, each 25$\times$25 $\mu$m$^2$ in size. Each pixel consists of a charge-sensitive preamplifier with leakage current compensation and three auto-zero comparators for a 2-bit flash-type ADC. The frontend is capable of synchronously digitizing the sensor charge within 25 ns. Measurement results show an equivalent noise charge (ENC) of $\sim$30e$^-$ and a total dispersion of $\sim$100e$^-$ The second version of the ROIC uses a fully connected two-layer neural network (NN) to process information from a cluster of 256 pixels to determine if the pattern corresponds to highly desirable high-momentum particle tracks for selection and readout. The digital NN is embedded in-between analog signal processing regions of the 256 pixels without increasing the pixel size and is implemented as fully combinatorial digital logic to minimize power consumption and eliminate clock distribution, and is active only in the presence of an input signal. The total power consumption of the neural network is $\sim$ 300 $\mu$W. The NN performs momentum classification based on the generated cluster patterns and even with a modest momentum threshold, it is capable of 54.4% - 75.4% total data rejection, opening the possibility of using the pixel information at 40MHz for the trigger. The total power consumption of analog and digital functions per pixel is $\sim$ 6 $\mu$W per pixel, which corresponds to $\sim$ 1 W/cm$^2$ staying within the experimental constraints.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Helium Ion Microscopy with Secondary Ion Mass Spectrometry for Nanoscale Chemical Imaging and Analysis of Polyolefins

To date, chemical imaging of polymers and polymer blends has been primarily accomplished using time-of-flight secondary ion mass spectrometry (ToF-SIMS) to directly visualize the distribution of components in a complex material with spatial resolution ranging from 100 nm to 5 μm. However, in many cases, this resolution falls far short of visualizing interfaces directly. To overcome these limitations, recent work has focused on developing a SIMS detection system based on a helium ion microscope (HIM) enabling chemical imaging with a demonstrated ~14 nm spatial resolution. Here, we utilize HIM-SIMS for differentiation between the olefin-based polymers of polyethylene (PE) and polypropylene (PP). We illustrate both analyses for separating PE and PP using specific mass fragment ratios as well as demonstrate spatially resolved imaging of phase-separated domains within PE. Altogether, we demonstrate the abilities of HIM-SIMS as a multimodal chemical technique for imaging and quantification of polyolefin interfaces, which could be more broadly applied to the analysis of more complex polymeric systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Physical and Chemical Morphology of Passively Sampled Environmental Films

Environmental surface films are important mediators in the fate and transport of persistent organic pollutants (POP) via largely uncharacterized mechanisms. This work presents the first analysis of the physical and chemical morphology of passively sampled environmental films. The films are developed in urban, sub-urban, and metropolitan locations for timescales ranging from 1 to 52 weeks by exposing polished silicon wafers to collect passively deposited tropospheric particulate matter. The time-dependent spatial morphology of the films is analyzed by bright-field, scanning electron, and atomic force microscopies. Time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging data are analyzed to report the film’s chemical morphology and speciation. We find that the film matrix presents an extremely complex physical and chemical system. Deposited PM sizes span six orders of magnitude (millimeter to nanometer regimes), and surface coverages range from ca. 5 % for one week films and ca. 98 % for 52 week films. We observe significant amounts of mineral dust, biogenic organics, and occasional indications of flora growth (i.e., spores). The films exhibit nanoscale surface features indicative of small particulate depositions as well as films of (semi)volatile molecules. SIMS imaging reveals diverse and sometimes segregated chemical domains of hydrocarbons, inorganics, metals, and proteinaceous macromolecules. This work presents the first spatially resolved physical and chemical surface characterization of native environmental films, beginning a study of mechanisms by which these films form, persist, and mature in the environment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Molecular imaging of plant-microbe interactions on the Brachypodium seed surface

Plant growth-promoting rhizobacteria (PGPR) play a crucial role in biological control and pathogenic defense on and with-in plant tissues, however the mechanism(s) by which plants associate with PGPR to elicit such beneficial effects needs further study. Here, we present high mass resolution time-of-flight secondary ion mass spectrometry (ToF-SIMS) imaging of Brachypodium distachyon (Brachypodium) seeds with and without exposure to two model PGPR, i.e., Gram-negative Pseudomonas fluorescens SBW25::GFP (P.) and Gram-positive Arthrobacter chlorophenolicus A6::GFP (A.). Delayed image extraction was used to image PGPB-treated seed sections to reveal morphological changes. ToF-SIMS spectral compari-son, principal component analysis (PCA), and two-dimensional (2D) imaging show that the selected PGPR have different effects on the host seed surface, resulting in changes in chemical composition and morphology. Metabolite prod-ucts and biomarkers, such as flavonoids, phenolic com-pounds, fatty acids, and indole-3-acetic acid (IAA), were ob-served on the PGPR-treated seed surfaces. These compounds had different distributions on the Brachypodium seed surface for the two PGPR, indicating that the different bacteria elicited distinct responses from the host. Our results illustrate that ToF-SIMS is an effective tool to study plant-microbe interac-tions and to provide insightful information with submicrome-ter lateral resolution of the chemical distributions associated with morphological features, potentially offering a new way to study the mechanisms underlying beneficial roles of PGPR.

PGPR, Brachypodium distachyon, ToF-SIMS, metabolit↗