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At least 415 records · Page 23

Evolutionary and functional relationships between plant and microbial C 1 metabolism in terrestrial ecosystems

One-carbon (C 1 ) metabolism, centered on the universal methyl donor S-adenosyl methionine (SAM), plays critical roles in biosynthesis, redox regulation, and stress responses across plants and microbes. A recently proposed photosynthetic C 1 pathway links SAM methyl groups directly to RuBisCO-mediated CO 2 assimilation and integrates with nitrogen and sulfur metabolism. Light-dependent SAM synthesis may regulate the methylation of biopolymers and specialized metabolites and help mitigate photorespiratory stress under elevated temperature and drought. Phylogenetic analysis of two core enzymes suggests evolutionary continuity from methylotrophic microbes to land plants, supporting microbial origins via endosymbiotic gene transfer. Beyond intracellular roles, C 1 metabolism drives biosphere–atmosphere exchange via gases such as methane, methanol, formic acid, and formaldehyde, and numerous specialized volatiles synthesized through SAM methylation. S-methylmethionine, a mobile C 1 metabolite, may mediate phloem transport of reduced sulfur, nitrogen, and methyl groups, linking above- and belowground C 1 cycling in plants. Advances in real-time gas sensing now allow the high-frequency quantification of C 1 fluxes from leaves, stems, and soils, highlighting C 1 metabolism as a critical and underrecognized component of terrestrial carbon and nutrient cycling. Given its microbial ancestry and the production of diverse volatile biosignatures, C 1 metabolism may also offer unique insights into life's origins and biosignature detection on exoplanets.

54 ENVIRONMENTAL SCIENCES↗

Quantitative evaluation of perfluorinated alkanethiol molecular order on gold surfaces

Self-assembled monolayers (SAMs) of perfluoroalkanethiols [CF3(CF2)xCH2CH2SH (x = 3, 5, 7, and 9)] on gold were characterized by x-ray photoelectron spectroscopy (XPS), near edge x-ray absorption fine structure (NEXAFS), and static time-of-flight secondary ion mass spectrometry (ToF-SIMS). Perfluoroalkanethiols of several chain lengths were synthesized using a known hydride reduction method for transforming commercially available perfluoroalkyliodides to corresponding perfluoroalkanethiols. This strategy provides improved product yields compared to other known routes based on hydrolysis from the common thioacetyl perfluoroalkyl intermediate. Angle-dependent XPS analysis revealed that CF3(CF2)xCH2CH2SH (x = 5, 7, and 9; F6, F8, and F10, respectively) SAMs on gold exhibited significant enrichment of the terminal CF3 group at the outer monolayer surface with the sulfur present as a metal-bound thiolate located at the monolayer-gold interface. XPS of the CF3(CF2)3CH2CH2SH (F4) monolayer revealed a thin film with a significant (>50%) amount of hydrocarbon contamination consistent with poorly organized monolayers, while the longest thiol (F10) showed XPS signals attributed to substantial ordering and anisotropy. ToF-SIMS spectra from all four SAMs contained molecular ions representative of the particular perfluorinated thiol used to prepare the monolayer. NEXAFS methods were used to determine degrees of ordering and average tilt for molecules comprising monolayers. The SAMs prepared from the longest (F10) thiols exhibited the highest degree of ordering with the molecular axis nearly perpendicular to the gold surface. The degree of ordering decreased significantly with decreasing length of the perfluorocarbon tail.

Biophysics↗

Chemical and structural characterization of EUV photoresists as a function of depth by standing-wave x-ray photoelectron spectroscopy

The success in the miniaturization of the electronic device constituents depends mostly on the photolithographic techniques. Recently, to achieve patterning at the sub-10-nm node, extreme ultraviolet (EUV) lithography has been introduced into high volume production. Continued scaling of EUV via increased numerical aperture to achieve nodes at 3-nm and below requires the development of fundamentally new patterning materials and new characterization methods. Current EUV-resist film thicknesses are in the 20- to 40-nm range, and further thickness reduction is required for the next generation. Therefore, interfaces become exceedingly important, and the properties of the resist film would be dominated by top and bottom interfacial effects. X-ray photoelectron spectroscopy (XPS) combined with standing-wave excitation (SW-XPS), a fairly new method in the EUV lithography field, previously had been largely applied in multilayers and superlattices for characterizing the composition and electronic structure of buried layers and interfaces as a function of depth. We applied the SW-XPS method to organic/inorganic photoresists to provide depth-selective information on their structural and chemical conditions of as a function of temperature, EUV exposure, different underlayers, and other fundamental parameters. As a first attempt, we perform an SW-XPS feasibility study on self-assembled monolayer (SAM) films after exposure to an electron beam. By SW-XPS, we determined that the interface between the Al 2 O 3 underlayer and the SAMs is smooth, with a mean roughness of about 0.2 nm. Moreover, we determined that the SAM chains are, on average, tilted by 1/430 deg off the sample normal. The SW-XPS results also suggest that the SAM is not a perfectly aligned and uniform monolayer, with some areas having thickness higher than a single monolayer. We demonstrated that SW-XPS can provide useful information on ultrathin materials with high potential for being used as a characterization method of organic/inorganic photoresists.

36 MATERIALS SCIENCE↗

Application of NEAMS Codes to Capture MSR Phenomena

This report documents work completed in FY21 under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s Molten Salt Reactor (MSR) Application Drivers activity at Argonne. The common focus was on identifying the modeling and simulation functional requirements for designing, licensing, and operating MSRs and applying those capabilities already developed in NEAMS tools to example problems of interest. The four main parts of this report each focuses on a specific area of simulation physics as it relates to MSR phenomena: fuel evolution, chemistry, computational fluid dynamics (CFD), and systems analysis. In terms of fuel evolution, which includes depletion, decay, on-line separations, and transmutation, the current state of computational capabilities for modeling this behavior in liquid-fueled molten salt reactor is discussed. Some of the functional requirements to accomplish the various applications of MSR fuel depletion modeling are highlighted, followed by a summary of recent approaches and code development activities. The chemistry functional requirements were discussed in the context of several applications of high importance for MSRs, such as corrosion, salt chemistry, and species transport. Each of these types of chemistry modeling have considerable impact on various aspects of reactor applications, including informing on reactor designs, improving operational efficiencies, analyzing safety and reactivity concerns, and estimating the mechanistic source term of the reactor. A brief overview is also provided on code development activities ongoing under NEAMS relevant to chemistry modeling of MSRs. In terms of CFD applications, the state-of-the-art spectral element code, Nek5000 was used to model the fluid dynamics within a full core of the Molten Salt Fast Reactor (MSFR) concept designed as part of the Euratom EVOL project. This concept was selected as the challenge problem because of its similar features to several U.S. industry concepts. The goal was to model some of the fast MSR design challenges, including potential large internal re-circulations, the need of accurate tracking of delayed neutron precursors (DNP), and the lack of relevant thermal-hydraulics models/correlations, etc. Therefore, a series of CFD models were created for the MSFR core cavity using a k – τ model two-equation model for the turbulence. These first full core results demonstrated that any potential recirculation zones could be properly identified with the current NEAMS CFD capabilities. The development of these models will also set the stage for future testing of Nek5000’s functionalities to model other MSR thermal-fluid phenomena. Lastly, the validation of SAM against experimental data from the Molten Salt Reactor Experiment, which started in FY19, continues with the inclusion of modeling the reactivity insertion tests. This involved using SAM and its point kinetics model for flowing fuel salt to recreate the time dependent power changes and response after positive reactivity insertions at the 1, 5, and 8 MWt power levels. Through these exercises, several code modifications were suggested to the SAM development team and accommodated to enable closer agreement with solid technical and physical justifications. These include adding a moderator reactivity feedback coefficient as an available input and modifying the solution approach for the point kinetics model. Additional SAM development suggestions for flowing fuel MSRs include adding the capability to allow the moderator power change proportionally with the reactor power and enabling specification of the power and DNP distributions separately.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

High-fidelity multiphysics load following and accidental transient modeling of microreactors using NEAMS tools: Application of NEAMS codes to perform multiphysics modeling analyses of micro-reactor concepts

The feasibility of modeling microreactors using high-fidelity models with the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tools is investigated in this report. Three overarching questions guided this research: can NEAMS tools readily be applied for high-fidelity multiphysics modeling of different types of transients in microreactor designs; how accurate are the results obtained; and are improvements needed in accuracy or user experience of NEAMS tools, especially considering newly developed capabilities? This work builds upon FY-2022 work, and two microreactor concepts considering heat pipe (HP-MR) and gas-cooled (GC-MR) technologies were further analyzed using high-fidelity multiphysics simulations. The NEAMS tools considered and coupled within the MultiApp environment are Griffin for neutronics, BISON for thermo-mechanics, Sockeye for heat pipe modeling (in HP-MR), SAM for 1D Fluid – 3D solid modeling of coolant channels and system modeling of balance of plant components (in GC-MR), and the SWIFT code for hydrogen redistribution in hydride moderator. The Heat Pipe MicroReactor (HP-MR) concept was further analyzed in FY-2023 to demonstrate the stochastic TRISO failure modeling capability in BISON to check operational limits of the TRISO fuel. A new full-core Gas-Cooled MicroReactor (GC-MR) model was developed based on the initial assembly-model used in Y-2022 and used for steady-state and accidental depressurization transient simulations. Accuracy of the simulations performed was assessed through 1) verification analyses completed on the different physics with code-to-code comparison, and 2) validation of the multiphysics simulations based on modeling of the Kilopower Reactor Using Stirling Technology (KRUSTY) experiment. In FY-2023, the mesh and model of KRUSTY was updated to closely match publicly available data, and the neutronic model was verified and validated against experimental control rod worth measurements. The multiphysics model of KRUSTY was developed and used for steady-state analysis and for modeling reactivity insertion transient. The calculated power increase and stabilization agrees well with experimental data following adjustment in fuel thermal expansion coefficient. As an important component of this project, the ANL team gathered experience with a wide range of NEAMS tools: the MOOSE Mesh System, Griffin, BISON, SWIFT, Sockeye, SAM, Workbench, and the MOOSE MultiApp System, and provided assessment of new capabilities. Noteworthy are the user assessment of the “vapor-only” flow model in Sockeye and development of a multiphysics startup transient in HP-MR unit cell for use as tutorial in Sockeye. The full-core GC-MR model was used for assessment of SAM for balance of plant modeling and for demonstrating the SWIFT code capability for hydrogen redistribution modeling in multiphysics transient analyses. In this process, several bugs/issues were identified and reported to developers. Finally, the assembly GC-MR model developed in FY-2022 coupling Griffin, BISON and SAM through flow blockage and rod ejection transients was published to the National Reactor Innovation Center (NRIC) Virtual Test Bed (VTB). The Heat Pipe MicroReactor (HP-MR) concept high-fidelity multiphysics coupling of Griffin/BISON/Sockeye in load-following and heat pipe failure transients was also published on the VTB. Those submissions are enabling thorough review of these models as well as wide distribution to industry, regulator, and university users. In this analysis, several new research questions were uncovered, and follow-up analyses are recommended to further improve some models, consider additional transients, and continue development of VTB models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Towards a NEAMS-based high-fidelity model of the MARVEL reactor

This report outlines the progress of Idaho National Laboratory in developing a high-fidelity and high-resolution model of the Microreactor Applications Research Validation and Evaluation reactor. The model was developed under the Nuclear Energy Advanced Modeling and Simulation microreactor application driver at Idaho National Laboratory. The overarching objective of this activity is the development of a high-fidelity multiphysics MARVEL model using NEAMS tools, and to verify and validate NEAMS tools against MARVEL reference simulation and experimental data, respectively. This is a unique opportunity to conduct multiphysics analysis on a soon-to-be-deployed microreactor. This multiphysics model developed under the NEAMS-funded INL microreactor application driver leverages three single-physics models coupled via the MOOSE’s MultiApp and Transfer systems. The latter systems enable in-memory data transfer between MOOSE-based and MOOSE-wrapped applications. The first single-physics model, that functions as main application, leverages Griffin to model the neutron transport in the core through the discontinuous finite element (DFEM) discrete ordinates solver (SN). Several optimization flags that were developed by the Griffin developer team were beta-tested to enhance the solver’s performance. These include the combined use of using_average_xs and update_averaged_xs_on that enable to avoid expensive on-the-fly cross sections evaluations at each linear iterations in favor of evaluations of the macroscopic cross sections at each Picard iteration. The second single-physics model uses BISON to handle solid heat transfer and asymptotic hydrogen redistribution analysis in the fuel. While the model returns consistent results for the temperature and hydrogen distribution in the fuel, a mismatch was noticed in the calculated temperature in the reflector due to the value of the gap conductance used in our model. Ongoing investigations are being performed to assess the origin of this discrepancy. Finally, the System Analysis Module (SAM) was used to model the flow of the sodium-potassium eutectic in the primary loop. A first verification was also performed showing good agreement in terms of mass flow rate and inlet temperature. All mesh files were generated using the MOOSE Reactor module, removing the need for external meshing tools. Notably, this workscope represents one of the initial applications of the MOOSE Reactor module for modeling highly irregular geometries. The use of the reactor module significantly streamlined the mesh generation process. The full multiphysics mode, that combines all the single physics models, was leveraged to conduct initial steady-state multiphysics simulations to compute power, and temperature distribution in the reactor. Initial testing was performed for transient simulations as well. In this case, the new checkpoint restart capability for eigenvalue calculations was tested showing the capability for streamlined restart of transient calculations. Future work will focus on improving the fidelity of the model by performing comprehensive code-to-code comparisons. For instance, the full-core Griffin neutronics model will be benchmarked against MCNP reference results, that were provided by the MARVEL design team. Additionally, the SAM T/H model will be verified against reference RELAP-5 results for selected accident scenarios. Besides code-to-code verification exercises, the model fidelity will be improved by replacing the single-channel SAM model with a more complex SAM-Pronghorn coupled model, in which the sub-channel capability is deployed to obtain radial temperature resolution in the coolant. This model will be developed in synergy with the NEAMS thermal hydraulics team.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Leveraging MARVEL and SPHERE to Demonstrate NEAMS Thermal Hydraulics Codes

The Single Primary Heat Extraction and Removal Emulator (SPHERE) and Microreactor Applications Research Validation and Evaluation (MARVEL) were utilized to demonstrate thermal hydraulics codes of the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program. A recent long-duration test of a sodium heat pipe conducted at the SPHERE facility was utilized for the validation of the heat pipe code Sockeye. The first 10 hours of operation featured a startup of the heat pipe from room temperature; this portion was modeled with Sockeye and compared to the experimental data. Measurements included several thermocouple measurements across the length of the heat pipe surface. Two of Sockeye’s heat pipe models were applied to experiment, as well as several models of the cooling at the condenser end of the heat pipe. Sockeye results gave a decent match to the experimental data, with notable discrepancy in the condenser section, where experimental data indicated a significant inactive length of the heat pipe. The MARVEL microreactor was modeled through a coupled simulation of System Analysis Module (SAM) and SubChannel Module (SCM). This multiscale coupled simulation was performed as an exercise to demonstrate the compatibility and applicability of these codes for thermal-hydraulic analysis of microreactors. The coupling between the SCM and SAM codes for multiscale modeling of MARVEL, was achieved through a domain overlapping approach. In this example a transient SAM simulation provided boundary conditions to SCM, and SCM provided pressure drop to SAM.

97 - MATHEMATICS AND COMPUTING↗

BlueCRAB Domain Overlapping Coupling: Theory & Verification

Coupling low- and high-fidelity codes is a useful way to model complex engineering systems. Thanks to the high-fidelity code, complex phenomena can be resolved in areas of the system where this is required, yet the efficiency of the lower-fidelity code is still retained in modeling the rest of the system. This document details the theory and implementation of coupling two different thermal-hydraulic codes: the system thermal-hydraulics (STH) code System Analysis Module (SAM) and the coarse-mesh computational fluid dynamics (CFD) code Pronghorn. Both applications are included in the Comprehensive Reactor Analysis Bundle (BlueCRAB) code suite and are based on the Multiphysics Object-Oriented Simulation Environment (MOOSE) framework. The domain overlapping (DO) coupling approach was adopted, as it offers proven advantages over more conventional domain decomposition methods. In the DO coupling, SAM provides Pronghorn with boundary conditions that depend on the system-level simulation of the entire plant. In return, the overlapping coupled SAM components–termed “surrogate components”–receive friction factors and source terms computed online based on the Pronghorn simulation. The framework is designed to be generic and enable coupling regardless of geometry and the number of inlet/outlet boundaries in the DO coupled domain. The developed method leads to consistent pressure drops, enthalpies, and scalar concentrations when comparing the coupled SAM and Pronghorn simulations. This document presents the DO coupling approach, along with two verification and two demonstration cases. The proposed problems explore different physical aspects relevant to nuclear reactor analysis, including buoyancy-driven flows, complex flow patterns, and multiple inlets and outlets. Periodically, new versions of this “BlueCRAB Domain Overlapping Coupling: Theory & Verification” report will be issued to reflect future developments and verification tests.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗

HTGR Multiphysics Application Drivers FY26 Updates

This report summarizes FY26 progress under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program's high-temperature gas-cooled reactor (HTGR) application driver work, covering a wide range of activities such as code validation and multi-physics code assessment. 1) A detailed SAM model of the High-Temperature Engineering Test Reactor (HTTR) was developed using a unique-block grouping approach, with an extended parallel thermal network method to capture block-to-block conduction and radiation heat transfer, and applied to steady-state simulations of the HTTR 30~MW and 9~MW cases. 2) In another activity, SAM's newly implemented multi-component gas flow model was validated against the Natural convection Shutdown heat removal Test Facility (NSTF) argon ingress experiment, correctly capturing the density-driven suppression and thermal recovery of natural circulation observed when argon is introduced into the air-cooled Reactor Cavity Cooling System (RCCS) loop. 3) For the OECD/NEA High Temperature Test Facility (HTTF) benchmark, we co-led the international benchmark activities as well as the OECD/NEA final benchmark report to be released at the end of this year. 4) Finally, the coupled Griffin-SAM modeling capability for pebble-bed HTGRs was advanced by verifying the Griffin neutronics solution against Serpent Monte Carlo for a realistic non-uniform temperature distribution, resolving several deficiencies in the SAM-to-Griffin temperature transfer scheme, and enabling distinct fuel kernel, moderator, and coolant temperatures for cross section feedback. These new features were demonstrated in a PBR load-following transient.

Lee, Alvin↗

Interaction between cloud–radiation, atmospheric dynamics and thermodynamics based on observational data from GoAmazon 2014/15 and a cloud-resolving model

Observational meteorological data from the field experiment GoAmazon 2014/15 and data from numerical simulations with the cloud-resolving model (CRM) called the System for Atmospheric Modeling (SAM) are used to study the interaction between the cloudiness–radiation as well as the atmospheric dynamics and thermodynamics variables for a site located in the central Amazon region (–3.2°S, –60.6°W) during the wet and dry periods. The main aims are to (a) analyze the temporal series of the integrated cloud fraction, precipitation rate and downward shortwave flux as well as (b) to determine the relationship between the integrated cloud fraction, radiative fluxes and large-scale variable anomalies as a function of the previous day's average. The temporal series of the integrated cloud fraction, precipitation rate and downward shortwave flux from SAM simulations showed physical consistency with the observations from GoAmazon 2014/15. Shallow and deep convection clouds show to have a meaningful impact on radiation fluxes in the Amazon region during wet and dry periods. Anomalies of large-scale variables (relative to the previous day's average) are physically associated with cloud formation, evolution and dissipation. SAM consistently simulated these results, where the cloud fraction vertical profile shows a pattern very close to the observed data (cloud type). Additionally, the integrated cloud fraction and large-scale variable anomalies, as a function of the previous day's average, have a good correlation. These results suggest that the memory of the large-scale dynamics from the previous day can be used to estimate the cloud fraction as well as the water content, which is a variable of the cloud itself. In general, the SAM satisfactorily simulated the interaction between cloud–radiation as well as dynamic and thermodynamic variables of the atmosphere during the periods of this study, being able to obtain atmospheric variables that are impossible to obtain in an observational way.

54 ENVIRONMENTAL SCIENCES↗

The role of sulfur in osmoregulation and salinity tolerance in cyanobacteria, algae, and plants

Organosulfur compounds are involved in osmoregulation and salinity tolerance in some cyanobacteria and photosynthetic eukaryotes. Glycinebetaine, the osmolyte of the halotolerant cyanobacterium, Aphanothece halophytica, requires the sulfonium compound. S-adenosyl-methionine (SAM) for its synthesis. Glutamate is the nitrogen source, SAM is the methyl carbon and serine the carbon backbone source of this unique osmolyte. Inhibitor studies suggest that photorespiration interacts with sulfur metabolism to control betaine synthesis in cyanobacteria. The limiting factor for SAM synthesis is formate from photorespiration. SAM is, in turn, the methyl donor for betaine synthesis from serine. The nitrogen component of serine is from glutamate. Betaine synthesis is hypothesized to be regulated via potassium. The biosynthesis of dimethyl-B-propiothetin (DMPT, which is the same as beta-dimethyl sulfonioprpionate) and diacylsulfoquinovosylglycerol were elucidated as having their roles in osmoregulation and salinity tolerance. The relation between these sulfolipids and the sulfur cycle was discussed.

Yopp, J. H.↗

Summary Report of Mission Acceleration Measurements for STS-62, Launched 4 March 1994

The second mission of the United States Microgravity Payload on-board the STS-62 mission was supported with three accelerometer instruments: the Orbital Acceleration Research Experiment (OARE) and two units of the Space Acceleration Measurements System (SAMS). The March 4, 1994 launch was the fourth successful mission for OARE and the ninth successful mission for SAMS. The OARE instrument utilizes a sensor for very low frequency measurements below one Hertz. The accelerations in this frequency range are typically referred to as quasisteady accelerations. One of the SAMS units had two remote triaxial sensor heads mounted on the forward MPESS structure between two furnance experiments, MEPHISTO and AADSF. These triaxial heads had low-pass filter cut-off frequencies at 10 and 25 Hz. The other SAMS unit utilized three remote triaxial sensor heads. Two of the sensor heads were mounted on the aft MPESS structure between the two experiments IDGE and ZENO. These triaxial heads had low-pass filter cut-off frequencies at 10 and 25 Hz. The third sensor head was mounted on the thermostat housing inside the IDGE experiment container. This triaxial head had a low-pass filter cut-off frequency at 5 Hz. This report is prepared to furnish interested experiment investigators with a guide to evaluating the acceleration environment during STS-62 and as a means of identifying areas which require further study. To achieve this purpose, various pieces of information are included, such as an overview of the STS-62 mission, a description of the accelerometer system flown on STS-62, some specific analysis of the accelerometer data in relation to the various mission activities, and an overview of the low-gravity environment during the entire mission. An evaluation form is included at the end of the report to solicit users' comments about the usefulness of this series of reports.

Rogers, Melissa J. B.↗

Summary Report of mission acceleration measurements for STS-66. Launched November 3, 1994

Experiments flown in the middeck of Atlantis during the STS-66 mission were supported by the Space Acceleration Measurement System (SAMS). In particular, the three triaxial SAMS sensor heads collected data in support of protein crystal growth experiments. Data collected during STS-66 are reviewed in this report. The STS-66 SAMS data represent the microgravity environment in the 0.01 Hz to 10 Hz range. Variations in the environment related to differing levels of crew activity are discussed in the report. A comparison is made among times when the crew was quiet during a public affairs conference, working quietly, and exercising. These levels of activity are also compared to levels recorded by a SAMS unit in the Spacelab on Columbia during the STS-65 mission.

Rogers, Melissa J. B.↗

Summary Report of Mission Acceleration Measurements for STS-79. Launched 16 Sep. 1996

The Space Acceleration Measurement System (SAMS) collected acceleration data in support of the Mechanics of Granular Materials experiment during the STS-79 Mir docking mission, September 1996. STS-79 was the first opportunity to record SAMS data on an Orbiter while it was docked to Mir. Crew exercise activities in the Atlantis middeck and the Mir base module are apparent in the data. The acceleration signals related to the Enhanced Orbiter Refrigerator Freezer had different characteristics when comparing the data recorded on Atlantis on STS-79 with the data recorded on Mir during STS-74. This is probably due, at least in part, to different transmission paths and SAMS sensor head mounting mechanisms. Data collected on Atlantis during the STS-79 docking indicate that accelerations due to vehicle and solar array structural modes from Mir transfer to Atlantis and that the structural modes of the Atlantis-Mir complex are different from those of either vehicle independently. A 0.18 Hz component of the SAMS data, present while the two vehicles were docked, was probably caused by the Mir solar arrays. Compared to Atlantis structural modes of about 3.9 and 4.9 Hz, the Atlantis-Mir complex has structural components of about 4.5 and 5.1 Hz. After docking, apparent structural modes appeared in the data at about 0.8 and 1.8 Hz. The appearance, disappearance, and change in the structural modes during the docking and undocking phases of the joint Atlantis-Mir operations indicates that the structural modes of the two spacecraft have an effect on the microgravity environment of each other. The transfer of structural and equipment related accelerations between vehicles is something that should be considered in the International Space Station era.

Rogers, Melissa J. B.↗

Attachment of Single-wall Carbon Nanotubes (SWNTs) on Platinum Surfaces by Self-Assembling Techniques

Single-wall carbon nanotubes (SWNTs) are very interesting materials because of their morphology, electronic and mechanical properties. Its morphology (high length-to-diameter ratio) and electronic properties suggest potential application of SWNTs as anode material for lithium ion secondary batteries. The introduction of SWNTs on these types of sources systems will improve their performance, efficiency, and capacity to store energy. A purification method has been applied for the removal of iron and amorphous carbon from the nanotubes. Unpurified and purified SWNTs were characterized by transmission electron microscopy (TEM), and thermogravimetric analysis (TGA). In order to attach carbon nanotubes on platinum electrode surfaces, a self-assembled monolayer (SAM) of 4-aminothiophenol (4-ATP) was deposited over the electrodes. The amino-terminated SAM obtained was characterized by cyclic voltammetry, X-ray photoelectron spectroscopy (XPS), and Fourier-transforms infrared (FTIR) spectroscopy. Carbon nanotubes were deposited over the amino-terminated SAM by an amide bond formed between SAM amino groups and carboxylic acid groups at the open ends of the carbon nanotubes.This deposition was characterized using Raman spectroscopy and Scanning Electron microscopy (SEM).

Rosario-Castro, Belinda I.↗

Impact of left ventricular outflow tract area on systolic outflow velocity in hypertrophic cardiomyopathy: a real-time three-dimensional echocardiographic study

OBJECTIVES: The aim of this study was to use real-time three-dimensional echocardiography (3DE) to investigate the quantitative relation between minimal left ventricular (LV) outflow tract area (A(LVOT)) and maximal LV outflow tract (LVOT) velocity in patients with hypertrophic obstructive cardiomyopathy (HCM). BACKGROUND: In patients with HCM, LVOT velocity should change inversely with minimal A(LVOT) unless LVOT obstruction reduces the pumping capacity of the ventricle. METHODS: A total of 25 patients with HCM with systolic anterior motion (SAM) of the mitral valve leaflets underwent real-time 3DE. The smallest A(LVOT) during systole was measured using anatomically oriented two-dimensional "C-planes" within the pyramidal 3DE volume. Maximal velocity across LVOT was evaluated by two-dimensional Doppler echocardiography (2DE). For comparison with 3DE A(LVOT), the SAM-septal distance was determined by 2DE. RESULTS: Real-time 3DE provided unique information about the dynamic SAM-septal relation during systole, with A(LVOT) ranging from 0.6 to 5.2 cm(2) (mean: 2.2 +/- 1.4 cm(2)). Maximal velocity (v) correlated inversely with A(LVOT) (v = 496 A(LVOT)(-0.80), r = -0.95, p < 0.001), but the exponent (-0.80) was significantly different from -1.0 (95% confidence interval: -0.67 to -0.92), indicating a significant impact of small A(LVOT) on the peak LVOT flow rate. By comparison, the best correlation between velocity and 2DE SAM-septal distance was significantly (p < 0.01) poorer at -0.83, indicating the superiority of 3DE for assessing A(LVOT). CONCLUSIONS: Three-dimensional echocardiography-measured A(LVOT) provides an assessment of HCM geometry that is superior to 2DE methods. These data indicate that the peak LVOT flow rate appears to be significantly decreased by reduced A(LVOT). Real-time 3DE is a potentially valuable clinical tool for assessing patients with HCM.

NASA Discipline Cardiopulmonary↗

Electronic Transport through Self Assembled Thiol Molecules: Effect of Monolayer Order, Dynamics and Temperature

We present the charge transport and tunneling conductance of self assembled organic thiol molecules and discuss the influence of order and dynamics in the monolayer on the transport behavior and the effect of temperature. Conjugated thiol molecular wires and organometals such as terpyridine metal complexes provide a new platform for molecular electronic devices and we study their self assembly on Au(111) substrates by the scanning tunneling microscope. Determining the organization of the molecule and the ability to control the nature of its interface with the substrate is important for reliable performance of the molecular electronic devices. By concurrent scanning tunneling microscopy and spectroscopy studies on SAMs formed from oligo (phenelyne ethynelyne) monolayers with and without molecular order, we show that packing and order determine the response of a self assembled monolayer (SAM) to competing interactions. Molecular resolution STM imaging in vacuum shows that the OPES adopt an imcommensurate SAM structure on Au(111) with a rectangular unit cell. Tunneling spectroscopic measurements were performed on the SAM as a function of junction resistance. STS results show that the I-Vs are non linear and asymmetric due to the inherent asymmetry in the molecular structure, with larger currents at negative sample biases. The asymmetry increases with increasing junction resistance due to the asymmetry in the coupling to the leads. This is brought out clearly in the differential conductance, which also shows a gap at the Fermi level. We also studied the effect of order and dynamics in the monolayer on the charge transport and found that competing forces between the electric field, intermolecular interactions, tip-molecule physisorption and substrate-molecule chemisorption impact the transport measurements and its reliability and that the presence of molecular order is very important for reproducible transport measurements. Thus while developing new electronic platforms based on molecules, it is important to have a good control of the molecule-substrate interface, for the devices to perform reliably. While such a control would minimize fluctuations and dynamics in the ensemble, the real challenge is to develop device architectures that are tolerant to fluctuations, since they cannot be totally eliminated in these low dimensional soft systems. Results of temperature dependent STS measurements will also be discussed.

Dholakia, Geetha↗

Noble Gas Analysis for Mars Robotic Missions: Evaluating K-Ar Age Dating for Mars Rock Analogs and Martian Shergottites

The purpose of this noble gas investigation was to evaluate the possibility of measuring noble gases in martian rocks and air by future robotic missions such as the Mars Science Laboratory (MSL). The MSL mission has, as part of its payload, the Sample Analysis at Mars (SAM) instrument, which consists of a pyrolysis oven integrated with a GCMS. The MSL SAM instrument has the capability to measure noble gas compositions of martian rocks and atmosphere. Here we suggest the possibility of K-Ar age dating based on noble gas release of martian rocks by conducting laboratory simulation experiments on terrestrial basalts and martian meteorites. We provide requirements for the SAM instrument to obtain adequate noble gas abundances and compositions within the current SAM instrumental operating conditions, especially, a power limit that prevents heating the furnace above approx.1100 C. In addition, Martian meteorite analyses from NASA-JSC will be used as ground truth to evaluate the feasibility of robotic experiments to constrain the ages of martian surface rocks.

Park, J.↗