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At least 595 records · Page 33

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DOE OSTI2021

Selectivity of enzymes involved in the formation of opposite enantiomeric series of p -menthane monoterpenoids in peppermint and Japanese catnip

Peppermint (Mentha x piperita L.) and Japanese catnip (Schizonepeta tenuifolia (Benth.) Briq.) accumulate p-menthane monoterpenoids with identical functionalization patterns but opposite stereochemistry. In the present study, we investigate the enantioselectivity of multiple enzymes involved in monoterpenoid biosynthesis in these species. Based on kinetic assays, mint limonene synthase, limonene 3-hydroxylase, isopiperitenol dehydrogenase, isopiperitenone reductase, and menthone reductase exhibited significant enantioselectivity toward intermediates of the pathway that proceeds through (-)-4S-limonene. Limonene synthase, isopiperitenol dehydrogenase and isopiperitenone reductase of Japanese catnip preferred intermediates of the pathway that involves (+)-4R-limonene, whereas limonene 3-hydroxylase was not enantioselective, and the activities of pulegone reductase and menthone reductase were too low to acquire meaningful kinetic data. Molecular modeling studies with docked ligands generally supported the experimental data obtained with peppermint enzymes, indicating that the preferred enantiomer was aligned well with the requisite cofactor and amino acid residues implicated in catalysis. A striking example for enantioselectivity was peppermint (-)-menthone reductase, which binds (-)-menthone with exquisite affinity but was predicted to bind (+)-menthone in a non-productive orientation that positions its carbonyl functional group at considerable distance to the NADPH cofactor. Here, the work presented here lays the groundwork for structure-function studies aimed at unraveling how enantioselectivity evolved in closely related species of the Lamiaceae and beyond.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Cosmic shear cosmology beyond two-point statistics: a combined peak count and correlation function analysis of DES-Y1

ABSTRACT We constrain cosmological parameters from a joint cosmic shear analysis of peak-counts and the two-point shear correlation functions, as measured from the Dark Energy Survey (DES-Y1). We find the structure growth parameter $S_8\equiv \sigma _8\sqrt{\Omega _{\rm m}/0.3} = 0.766^{+0.033}_{-0.038}$ which, at 4.8 per cent precision, provides one of the tightest constraints on S8 from the DES-Y1 weak lensing data. In our simulation-based method we determine the expected DES-Y1 peak-count signal for a range of cosmologies sampled in four w cold dark matter parameters (Ωm, σ8, h, w0). We also determine the joint covariance matrix with over 1000 realizations at our fiducial cosmology. With mock DES-Y1 data we calibrate the impact of photometric redshift and shear calibration uncertainty on the peak-count, marginalizing over these uncertainties in our cosmological analysis. Using dedicated training samples we show that our measurements are unaffected by mass resolution limits in the simulation, and that our constraints are robust against uncertainty in the effect of baryon feedback. Accurate modelling for the impact of intrinsic alignments on the tomographic peak-count remains a challenge, currently limiting our exploitation of cross-correlated peak counts between high and low redshift bins. We demonstrate that once calibrated, a fully tomographic joint peak-count and correlation functions analysis has the potential to reach a 3 per cent precision on S8 for DES-Y1. Our methodology can be adopted to model any statistic that is sensitive to the non-Gaussian information encoded in the shear field. In order to accelerate the development of these beyond-two-point cosmic shear studies, our simulations are made available to the community upon request.

Harnois-Déraps, Joachim↗

NASA NTRS1997

High Resolution X-Ray Explorer (HIREX)

SAO is involved in a study to determine the feasibility of building an orbiting telescope capable of resolving 7 km structure on the Sun. In order to achieve the required imaging the telescope must have a resolution 0.01 arcsec. This fact challenges the state of the art of orbiting telescopes in several areas: Mirror Figuring; Optical Metrology; Optical Mounting; Mirror Figure Control; System Alignment; Optical Stability; Observatory Pointing; and Image Stability. The telescope design concept is based on a 0.6 m Gregorian-style telescope with a 240 meter effective focal length. This is achieved with 2 mirrors supported at opposite ends of a 35 m space-deployable boom. The telescope mirrors are coated with multilayers designed to reflect a broad XUV passband. A third, small mirror, near the focal plane performs the function of selecting the narrow band that is finally imaged. Image stabilization to the 0.005 arcsec level is achieved by active control of the secondary mirror. The primary mirror is held unadjustably to the spacecraft, its pointing set by the spacecraft orientation. The secondary mirror is mounted on a 6-axis stage that permits its position to be changed to align the telescope in space. The stage is intended for intermittent adjustment, both because of its speed of travel, and the TBD alignment procedure. The third mirror is called the TXI (Tuneable X-ray Imager). It is mounted on a gimbal that permits it to be tipped over a 60 degree range, selecting between the individual wavelengths in the initial bandpass. It can also rotated completely out of the way to allow the full, broadband EUV flux to strike the focal plane. Finally, the focal plane assembly is designed to rotate on the outer edge of a circle centered on the TXI mirror rotation axis. This permits the focal plane to move to the location that the TXI redirects the light once it has been set to a given wavelength response. The Engineering Study is divided into the following areas: Mirror Fabrication and Metrology; Optical Layout-Trade Study between On-axis and Off-axis; Overall System Design; and Pointing Control/Image Stabilization. The observational goals of the mission are described in the Mission Requirements document. The work is being performed to the requirements called out in the Science Requirements document.

Goulb, Leon↗

NASA NTRS2007

The Spatial Variation of Polar Rain Electrons and its Cause

It is generally accepted that field aligned electrons in the solar wind can follow field lines connected to Earth and precipitate in the polar ionosphere where they are known as polar rain. Few-hundred eV, field-aligned electrons of the solar wind "strahl" carry the interplanetary heat flux moving out from the sun and these electrons precipitate in either the northern or southern hemisphere depending on the magnetic field direction. These electrons produce enhanced polar rain in one hemisphere or the other although weaker polar rain is usually produced in the opposite hemisphere by whatever electrons are moving in the opposite direction. Although much evidence exists for this simple free entry mechanism, it has also long been known that there are spatial variations in the energies and intensities of the precipitating electrons. The present work compares electron distribution functions measured by the ACE spacecraft in the solar wind with those measured by the DMSP spacecraft at 800 km altitude over the polar cap. It is found that shifting the DMSP distribution functions in energy by amounts ranging from 10's to a few hundred eV produces quite good agreement with simultaneous ACE measurements. Over most of the polar cap this DMSP energy shift must be positive to achieve this agreement, suggesting the electrons have been decelerated by a field aligned potential as they move from the solar wind to low altitudes. The largest shifts occur on the nightside and on the dawn or dusk side, with the latter depending on the plasma convection pattern which is controlled by the orientation of the IMF. Nearer the cusp the shift is smaller or even negative. Since more massive tailward flowing magnetosheath ions are unable io follow the field lines into the magnetotail like the electrons, a field aligned potential is expected to develop to exclude low energy electrons and prevent an excessive charge imbalance. Such a potential would also produce the deceleration of those electrons that reach low altitudes. This improved understanding of polar rain should increase the utility of polar rain measurements as a diagnostic of the magnetosphere magnetic field configuration.

Fairfield, D. H.↗

NASA NTRSDate not supplied

CHP-PRA: Sensorimotor Countermeasures Proof of Concept

The capabilities included in Crew Health and Performance (CHP) systems are designed to keep the crew healthy, happy, and productive. In doing so, the CHP system allows reductions in human related risks to be realized. All human missions, though particularly future Artemis and Mars missions, have constraints on the mass and volume allocated to the CHP system. Thus, trades must be made on how to best buy down risk while still meeting other requirements. Understanding how different CHP capabilities influence medical, performance, and long-term health risks is key to making informed choices among these trades. To address this, an integrated CHP Probabilistic Risk Assessment (PRA) model is being developed. Much like how IMPACT is designed to allow medical resource trades informed by medical risks, CHP PRA will enable analogous trades in human system risks across all CHP functions and capabilities. There are 29 Human System Risk Board (HSRB) risk areas to consider for model implementation. This effort focused solely on the implementation of countermeasures associated with sensorimotor risk. The framework and lessons learned from this proof of concept will benefit the implementation of other risks and countermeasures. Astronauts experience sensorimotor changes when entering or exiting a microgravity environment. While most sensorimotor issues are resolved within a few days, they pose a serious risk to crew health and performance during the adaptation period. This adaptation period aligns with gravity transitions and key mission phases where the crew members may be required to complete challenging tasks ideally with an undisturbed sensorimotor system. Countermeasures such as training or pharmaceuticals can be used to mitigate risk. This effort began by identifying physiological changes to the sensorimotor system that could lead to functional performance decrements or medical conditions and potential countermeasures, so that the overall effect of sensorimotor disturbance on human risk could be captured. We then selected example countermeasures, mapped relationships between countermeasures and outcomes, and used results from existing sensorimotor investigations to define the relationship between a sensorimotor countermeasure and subsequent performance of a sensorimotor-affected task. Specifically, using shuttle landing performance data, we compared the use or absence of inflight training capabilities to yield a relative performance change that can be applied to the prediction of the risk associated with manual control performance in future missions, as depicted in the figure. This sensorimotor proof of concept demonstrates how HRP research information can be transformed into quantifiable relationships to describe changes in HSRB medical and performance risks.

Caroline R Austin↗

DOE OSTI2021

Barriers to carriers: faults and recombination in non-stoichiometric perovskite scintillators

Abstract Tuning the efficiency and speed of charge carrier recombination in inorganic scintillators can potentially improve their performance in diverse applications. Recent work suggests that this maybe be achieved via a two-phase scintillator AB that naturally phase separates into A -rich and B -rich domains. In addition, a favorable electronic structure and band-edge alignment such that the charge carriers are confined or are thermodynamically driven to preferentially accumulate in one of the two domains, might lead to an improved radiative recombination rate. Here, we use density functional theory computations and ab initio molecular dynamics (AIMD), including non-adiabatic molecular dynamics (NAMD) simulations, to examine an alternative phase structure and its potential impact on recombination. Using a model perovskite SrTiO $$_3$$ 3 system with one-, two- and three-dimensional Ruddlesden–Popper (RP) phases, we demonstrate that RP faults induce band structure changes in the material that can act as barriers to carrier transport. Our AIMD/NAMD simulations indicate competing effects of a lower mean free path (potentially enhancing the desired radiative recombination and overall scintillating efficiency) and faster non-radiative recombination (undesired) due to enhanced electron–phonon coupling in the faulted system. Full exploitation of such a rational design approach would require tuning of the effective scintillation efficiency by varying the perovskite chemistry using appropriate arrangements of RP faults in the bulk material. Finally, other effects, such as the tendency of point defects to segregate at the interface, that might affect the overall performance, are briefly discussed. We expect the basic results found here to apply to other nanostructured scintillators. Graphical Abstract

36 MATERIALS SCIENCE↗

DOE OSTI2021

Optimal toolpath design of additive manufactured composite cylindrical structures

Structural design optimization for additive manufacturing is primarily focused on planar layer-by-layer processes and design of composite cylindrical structures does not often accommodate manufacturing constraints. In this study, we propose to optimize the toolpath trajectory of additively manufactured composite cylinders comprised of multiple thin cylindrical annuli. Additionally, our printing process is based on direct ink writing in which short carbon fibers in a thermoset resin are extruded through a moving nozzle to build up a structure. Since the fibers are primarily aligned in the flow direction of the extrudate, the printing trajectory influences the material properties of the composite structure. To accommodate this, we define the toolpaths as contours of parameterized level-set functions. This parameterization allows us to optimize the material properties and impose manufacturing constraints such as no-overlap, no-sag, minimum radius of curvature, and continuity of the toolpaths. Several examples illustrate the optimization procedure.

42 ENGINEERING↗

DOE OSTI2021

Tunneling current modulation in atomically precise graphene nanoribbon heterojunctions

Lateral heterojunctions of atomically precise graphene nanoribbons (GNRs) hold promise for applications in nanotechnology, yet their charge transport and most of the spectroscopic properties have not been investigated. Here, we synthesize a monolayer of multiple aligned heterojunctions consisting of quasi-metallic and wide-bandgap GNRs, and report characterization by scanning tunneling microscopy, angle-resolved photoemission, Raman spectroscopy, and charge transport. Comprehensive transport measurements as a function of bias and gate voltages, channel length, and temperature reveal that charge transport is dictated by tunneling through the potential barriers formed by wide-bandgap GNR segments. The current-voltage characteristics are in agreement with calculations of tunneling conductance through asymmetric barriers. We fabricate a GNR heterojunctions based sensor and demonstrate greatly improved sensitivity to adsorbates compared to graphene based sensors. This is achieved via modulation of the GNR heterojunction tunneling barriers by adsorbates.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Directing the far-from-equilibrium assembly of nanoparticles in confined liquid crystals by hydrodynamic fields

The assembly of nematic colloids relies on long-range elastic interactions that can be manipulated through external stimuli. Confinement and the presence of a hydrodynamic field alter the defect structures and the energetic interactions between the particles. Here, the assembly landscape of nanoparticles embedded in a nematic liquid crystal confined in a nanochannel under a pressure-driven flow is determined. The dynamics of the liquid crystal tensor alignment field is determined through a Poisson-Bracket framework, namely the Stark–Lubensky equations, coupled with the zero-Reynolds momentum equations and the liquid crystal Landau-de Gennes free energy functional. A second order semi-implicit time integration and a three-dimensional Galerkin finite element method are used to resolve flow and nematic fields under several conditions. In general, the zero Reynolds flow displaces the defects around the particles in the upstream direction and renders the surface anchoring ineffective when the flow strength dominates over the nematic elasticity. More importantly, the potential of mean force for particle assembly is non-monotonic independent of surface anchoring. Our results show that the confinement length scale determines the repulsion/attraction transition between colloids, while the flow strength modifies the static defect structure surrounding the particles and determines the magnitude of the energetic barrier for successful assembly. In the attractive regime, the particles move at different rates through the nematic until one particle eventually catches up with the other. This process occurs against or along the direction of flow depending on the flow strength. Ultimately, these results provide a template for engineering and controlling the transport and assembly of nanoparticles under far-from equilibrium conditions in anisotropic media.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Solid structure of Li 2 BeF 4 (FLiBe) from room temperature to melting studied by neutron and X-ray diffraction

Molten fluoride salts such as Li 2 BeF 4 (FLiBe) are used in molten salt reactors, fluoride-salt-cooled high-temperature reactors and fusion reactors as a fuel solvent, coolant and/or tritium breeding medium. In engineered systems that use molten salt, solid-state material will be present during melting and freezing scenarios, and therefore the temperature-dependent properties of the solid and solid/liquid phase transition merit investigation. To observe the behavior of the solid state of Li 2 BeF 4 from room temperature to melting, this work used neutron and X-ray diffraction to measure the changes in the lattice parameters and volume of the crystalline unit cell and compared the results with prior low-temperature data for solid Li 2 BeF 4 . From neutron diffraction data it is also possible to identify anisotropy: centimetre-scaled crystals align preferentially with the a axes parallel to the direction of freezing front propagation, and the c axes expand 54% more than the a axes. This work provides the lattice constants as a function of temperature, quantifies the thermal expansion, and determines the equation describing the change in density for solid Li 2 BeF 4 from room temperature to 459°C to be ρ solid (kg m −3 ) = 2182 (3) − 0.115 (2) T (°C) and the volume expansion upon melting to be less than 5%. This density changes depending on molecular weight and enrichment.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Toward three-dimensional DNA industrial nanorobots

Nanoscale industrial robots have potential as manufacturing platforms and are capable of automatically performing repetitive tasks to handle and produce nanomaterials with consistent precision and accuracy. We demonstrate a DNA industrial nanorobot that fabricates a three-dimensional (3D), optically active chiral structure from optically inactive parts. By making use of externally controlled temperature and ultraviolet (UV) light, our programmable robot, ~100 nanometers in size, grabs different parts, positions and aligns them so that they can be welded, releases the construct, and returns to its original configuration ready for its next operation. Our robot can also self-replicate its 3D structure and functions, surpassing single-step templating (restricted to two dimensions) by using folding to access the third dimension and more degrees of freedom. Our introduction of multiple-axis precise folding and positioning as a tool/technology for nanomanufacturing will open the door to more complex and useful nano- and microdevices.

Robotics↗

DOE OSTI2026

Distinguishing Leptothrix and Sphaerotilus genera by an integrated genomic-phenotypic analysis supported by new Leptothrix genomes

The Sphaerotilus-Leptothrix group of bacteria includes one of the first described microorganisms, Leptothrix ochracea, an uncultured type strain, plus isolates of Leptothrix and Sphaerotilus. This group is unified by the ability to form sheaths and oxidize metals, although L. ochracea exhibits obvious ecological, morphological, and functional differences from the rest of Sphaerotilus-Leptothrix. Recently, there have been calls to combine the group into one genus, Sphaerotilus; however, these studies lacked adequate genomic representation of L. ochracea. Here, we present a comprehensive comparative genomic analysis of the Sphaerotilus-Leptothrix group, including expanded representation of L. ochracea, a closely related novel species, Leptothrix toolikensis, and two new isolates (Leptothrix mechoopdaensis). Analysis of 38 genomes resolves three phylogenetic and functional groups: the ochracea-type Leptothrix (Group 1), the mobilis-type Leptothrix (Group 2), and Sphaerotilus (Group 3). Group 1 genomes form a separate genus based on average nucleotide identity and alignment fraction. The genomes clearly diverge from the rest of Sphaerotilus-Leptothrix in phylogeny, size, and metabolic potential. Group 1 genomes are much smaller (2.59–3.04 Mb) than those of Groups 2 (4.55–6.06 Mb) and 3 (3.94–5.07 Mb), while encoding more metal oxidases and fewer carbohydrate-active enzymes. Group 2 clusters with Group 3 phylogenetically and is similar in organic carbon metabolisms but maintains more metal oxidation genes. Group 2 members lack homogeneity in phenotype and genotype, suggesting that additional isolates and genomes are needed for confident classification. However, Group 1 genomes (L. ochracea and L. toolikensis) show clear divergence, precluding their inclusion in Sphaerotilus and supporting the retention of the genus Leptothrix.

Leptothrix↗

NASA NTRS1992

Interaction of disturbances with an oblique detonation wave attached to a wedge

The linear response of an oblique overdriven detonation to impose free stream disturbances or to periodic movements of the wedge is examined. The free stream disturbances are assumed to be steady vorticity waves and the wedge motions are considered to be time periodic oscillations either about a fixed pivot point or along the plane of symmetry of the wedge aligned with the incoming stream. The detonation is considered to be a region of infinitesmal thickness in which a finite amount of heat is released. The response to the imposed disturbances is a function of the Mach number of the incoming flow, the wedge angle, and the exothermocity of the reaction within the detonation. It is shown that as the degree of overdrive increases, the amplitude of the response increases significantly; furthermore, a fundamental difference in the dependence of the response on the parameters of the problem is found between the response to a free stream disturbance and to a disturbance emanating from the wedge surface.

Lasseigne, D. G.↗

NASA NTRS1993

Interaction of disturbances with an oblique detonation wave attached to a wedge

The linear response of an oblique overdriven detonation to impose free stream disturbances or to periodic movements of the wedge is examined. The free stream disturbances are assumed to be steady vorticity waves and the wedge motions are considered to be time periodic oscillations either about a fixed pivot point or along the plane of symmetry of the wedge aligned with the incoming stream. The detonation is considered to be a region of infinitesimal thickness in which a finite amount of heat is released. The response to the imposed disturbances is a function of the Mach number of the incoming flow, the wedge angle, and the exothermocity of the reaction within the detonation. It is shown that as the degree of overdrive increases, the amplitude of the response increases significantly; furthermore, a fundamental difference in the dependence of the response on the parameters of the problem is found between the response to a free stream disturbance and to a disturbance emanating from the wedge surface.

Lasseigne, D. G.↗

NASA NTRS2004

Plasma Enhanced Growth of Carbon Nanotubes For Ultrasensitive Biosensors

The multitude of considerations facing nanostructure growth and integration lends itself to combinatorial optimization approaches. Rapid optimization becomes even more important with wafer-scale growth and integration processes. Here we discuss methodology for developing plasma enhanced CVD growth techniques for achieving individual, vertically aligned carbon nanostructures that show excellent properties as ultrasensitive electrodes for nucleic acid detection. We utilize high throughput strategies for optimizing the upstream and downstream processing and integration of carbon nanotube electrodes as functional elements in various device types. An overview of ultrasensitive carbon nanotube based sensor arrays for electrochemical bio-sensing applications and the high throughput methodology utilized to combine novel electrode technology with conventional MEMS processing will be presented.

Cassell, Alan M.↗

NASA NTRS2004

Plasma Enhanced Growth of Carbon Nanotubes For Ultrasensitive Biosensors

The multitude of considerations facing nanostructure growth and integration lends itself to combinatorial optimization approaches. Rapid optimization becomes even more important with wafer-scale growth and integration processes. Here we discuss methodology for developing plasma enhanced CVD growth techniques for achieving individual, vertically aligned carbon nanostructures that show excellent properties as ultrasensitive electrodes for nucleic acid detection. We utilize high throughput strategies for optimizing the upstream and downstream processing and integration of carbon nanotube electrodes as functional elements in various device types. An overview of ultrasensitive carbon nanotube based sensor arrays for electrochemical biosensing applications and the high throughput methodology utilized to combine novel electrode technology with conventional MEMS processing will be presented.

Cassell, Alan M.↗

DOE OSTI2024

Scalable Nanoimprint Manufacturing of Functional Multilayer Metasurface Devices

Optical metasurfaces, consisting of subwavelength-scale meta-atom arrays, hold great promise of overcoming the fundamental limitations of conventional optics. Due to their structural complexity, metasurfaces usually require high-resolution yet slow and expensive fabrication processes. Here, using a metasurface polarimetric imaging device as an example, the photonic structures and the Nanoimprint lithography (NIL) processes are designed, creating two separate NIL molds over a patterning area of > 20 mm2 with designed Moiré alignment markers by electron-beam writing, and further subsequently integrate silicon and aluminum metasurface structures on a chip. Uniquely, the silicon and aluminum metasurfaces are fabricated by using the nanolithography and 3D pattern-transfer capabilities of NIL, respectively, achieving nanometer-scale linewidth uniformity, sub-200 nm translational overlay accuracy, and <0.017 rotational alignment error while significantly reducing fabrication complexity and surface roughness. Here, the micro-sized multilayer metasurfaces have high circular polarization extinction ratios as large as ≈20 and ≈80 in blue and red wavelengths. Further, the metasurface chip-integrated CMOS imager demonstrates high accuracy in broad-band, full Stokes parameter analysis in the visible wavelength ranges and single-shot polarimetric imaging. This novel, NIL-based, multilayered nanomanufacturing approach is applicable to the scalable production of large-area functional structures for ultra-compact optic, electronic, and quantum devices.

36 MATERIALS SCIENCE↗

NASA NTRS1999

High Resolution X-Ray Explorer (HIREX)

SAO has carried out a study to determine the feasibility of building an orbiting telescope capable of resolving 7 km structure on the Sun. In order to achieve the required imaging the telescope must have a resolution 0.01 arcsec. This fact challenges the state of the art of orbiting telescopes in several areas: mirror figuring; optical metrology; optical mounting; mirror figure control; system alignment; optical stability; observatory pointing; and image stability image stability. The telescope design concept is based on a 0.6m Cassegrain-style telescope with a 240 meter effective focal length. This is achieved with 2 mirrors supported at opposite ends of a 27 m space-deployable boom. The telescope mirrors are coated with multilayers designed to reflect a broad XUV passband. A third, small mirror, near the focal plane performs the function of selecting the narrow band that is finally imaged. Image stabilization to the 0.005 a,rcsec level is achieved by active control of the secondary mirror. The primary mirror is held unadjustably to the spacecraft, its pointing set by the space- craft orientation. The secondary mirror is mounted on a 6-axis stage that permits its position to be changed to align the telescope in space. The stage is intended for intermittent adjustment, both because of its speed of travel, and the TBD alignment procedure. The third mirror is called the TXI (Tuneable X-ray Imager). It is mounted on a gimbal that permits it to be tipped over a 60 degree range, selecting between the individual wavelengths in the initial bandpass. It can also rotated completely out of the way to allow the full, broadband EUV flux to strike the focal plane.

Golub, Leon↗