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At least 631 records · Page 35

The Effect of Bonding on the Fragmentation of Small Systems

Recent dissociative recombination (DR) experiments have reported that the observed reaction products depend on the structure, bonding, and charge centre of the molecular ion. For examples, the dominant product channel observed in the DR of D5(+)(2), N2O2(+)(1), and D5O2(+)(3) suggests that the former two ions have the form D3(+) D2, and NO(+) NO(1), respectively, whilst the latter is known to have the form D2O D(+) D2O (3). Here we compare and contrast these observations by investigating the DR of one of the simplest such systems, Li(+) H2. This system, a weakly bound cluster with the charge centre located on the lithium atom, will provide us with an excellent opportunity for investigating the role played by the type of bonds and charge centre in the DR process.

Thomas, R. D.↗

An Overview of Space Exploration Simulation (Basis of Confidence) Documentation

Models and simulations (M&S) are critical resources in the exploration of space. They support program management, systems engineering, integration, analysis, test, and operations by providing critical information that supports key analyses and decisions (technical, cost and schedule). Consequently, there is a clear need to establish a solid understanding of M&S strengths and weaknesses, and the bounds within which they can credibly support decision making. In this presentation we will describe how development of simulation capability documentation will be used to form a Basis of Confidence (Basis of Confidence) for National Aeronautics and Space Administration (NASA) M&S. The process by which BOC documentation is developed will be addressed, as well as the structure and critical concepts that are essential for establishing credibility of NASA's Exploration Systems Mission Directorate (ESMD) legacy M&S. We will illustrate the significance of BOC documentation in supporting decision makers and Accreditation Authorities in M&S risk management.

Bray, Alleen↗

Polyurea-Based Aerogel Monoliths and Composites

aerogel insulation material was developed that will provide superior thermal insulation and inherent radiation protection for government and commercial applications. The rubbery polyureabased aerogel exhibits little dustiness, good flexibility and toughness, and durability typical of the parent polyurea polymer, yet with the low density and superior insulation properties associated with aerogels. The thermal conductivity values of polyurea-based aerogels at lower temperature under vacuum pressures are very low and better than that of silica aerogels. Flexible, rubbery polyurea-based aerogels are able to overcome the weak and brittle nature of conventional inorganic and organic aerogels, including polyisocyanurate aerogels, which are generally prepared with the one similar component to polyurethane rubber aerogels. Additionally, with higher content of hydrogen in their structures, the polyurea rubber-based aerogels will also provide inherently better radiation protection than those of inorganic and carbon aerogels. The aerogel materials also demonstrate good hydrophobicity due to their hydrocarbon molecular structure. There are several strategies to overcoming the drawbacks associated with the weakness and brittleness of silica aerogels. Development of the flexible fiber-reinforced silica aerogel composite blanket has proven to be one promising approach, providing a conveniently fielded form factor that is relatively robust in industrial environments compared to silica aerogel monoliths. However, the flexible, silica aerogel composites still have a brittle, dusty character that may be undesirable, or even intolerable, in certain application environments. Although the cross - linked organic aerogels, such as resorcinol- formaldehyde (RF), polyisocyanurate, and cellulose aerogels, show very high impact strength, they are also very brittle with little elongation (i.e., less rubbery). Also, silica and carbon aerogels are less efficient radiation shielding materials due to their lower content of hydrogen element. The invention involves mixing at least one isocyanate resin in solvent along with a specific amount of at least one polyamine hardener. The hardener is selected from a group of polyoxyalkyleneamines, amine-based polyols, or a mixture thereof. Mixing is performed in the presence of a catalyst and reinforcing inorganic and/or organic materials, and the system is then subjected to gelation, aging, and supercritical drying. The aerogels will offer exceptional flexibility, excellent thermal and physical properties, and good hydrophobicity. The rubbery polyurea-based aerogels are very flexible with no dust and hydrophobic organics that demonstrated the following ranges of typical properties: densities of 0.08 to 0.293 g/cu cm, shrinkage factor (raerogel/rtarget) = 1.6 to 2.84, and thermal conductivity values of 15.2 to 20.3 mW/m K.

Lee, Je Kyun↗

Characterization of High-Speed IF Digitizers for Use by NASA Deep Space Network

My project primarily focused on the evaluation of several candidate converters to determine which provides the best overall performance for the needs of the DSCC Downlink Array (DDA). Of particular concern was the flatness of the gain and group delay of the converter over the Intermediate Frequency (IF) bandwidth, as excessive variation interferes with the beam forming that occurs when combining the signals from many antennas. In addition, converter nonlinearity and noise were evaluated as these could limit the DDA's ability to resolve weak signals, particularly in the presence of large interferers. The sensitivity of the noise at the output of the converters due to noise in the power supplies and jitter in the analog-to-digital converters (ADC) and the reference clock were also evaluated. Specifically, I worked with various high speed (1280 to 2000 megahertz sampling clock) ADCs.

analog-to-digital converters (ADC)↗

A Kinetic and Product Study of the Cl + HO2 Reaction

Absolute rate data and product branching ratios for the reactions Cl + HO2 to HCl + O2 (k1a) and Cl + HO2 to OH + ClO (k1b) have been measured from 226 to 336 K at a total pressure of 1 Torr of helium using the discharge flow resonance fluorescence technique coupled with infrared diode laser spectroscopy. For kinetic measurements, pseudo-first-order conditions were used with both reagents in excess in separate experiments. HO2 was produced by two methods: through the termolecular reaction of H atoms with O2 and also by the reaction of F atoms with H2O2. Cl atoms were produced by a microwave discharge of Cl2 in He. HO2 radicals were converted to OH radicals prior to detection by resonance fluorescence at 308 nm. Cl atoms were detected directly at 138 nm also by resonance fluorescence. Measurement of the consumption of HO2 in excess Cl yielded k1a and measurement of the consumption of Cl in excess HO2 yielded the total rate coefficient, k1. Values of k1a and k1 derived from kinetic experiments expressed in Arrhenius form are (1.6 +/- 0.2) x 10-11 exp[(249 +/- 34)/T] and (2.8 +/- 0.1) x 10-11 exp[(123 +/- 15)/T] cm3 molecule-1 s-1, respectively. As the expression for k1 is only weakly temperature dependent, we report a temperature-independent value of k1 = (4.5 +/- 0.4) x 10-11 cm3 molecule-1 s-1. Additionally, an Arrhenius expression for k1b can also be derived: k1b = (7.7 +/- 0.8) x 10-11 exp[-(708 +/- 29)/T] cm3 molecule-1 s-1. These expressions for k1a and k1b are valid for 226 K T 336 and 256 K T 296 K, respectively. The cited errors are at the level of a single standard deviation. For the product measurements, an excess of Cl was added to known concentrations of HO2 and the reaction was allowed to reach completion. HCl product concentrations were determined by IR absorption yielding the ratio k1a/k1 over the temperature range 236 K T 296 K. OH product concentrations were determined by resonance fluorescence giving rise to the ratio k1b/k1 over the temperature range 226 K T 336 K. Both of these ratios were subsequently converted to absolute numbers. Values of k1a and k1b from the product experiments expressed in Arrhenius form are (1.5 +/- 0.1) x 10-11 exp[(222 +/- 17)/T] and (10.6 +/- 1.5) x 10-11 exp[-(733 +/- 41)/T] cm3 molecule-1 s-1, respectively. These expressions for k1a and k1b are valid for 256 K T 296 and 226 K T 336 K, respectively. A combination of the kinetic and product data results in the following Arrhenius expressions for k1a and k1b of (1.4 +/- 0.3) x 10-11 exp[(269 +/- 58)/T] and (12.7 +/- 4.1) x 10-11 exp[-(801 +/- 94)/T] cm3 molecule-1 s-1, respectively. Numerical simulations were used to check for interferences from secondary chemistry in both the kinetic and product experiments and also to quantify the losses incurred during the conversion process HO2 to OH for detection purposes.

rate constants↗

Binary Colloidal Alloy Test Conducted on Mir

Colloids are tiny (submicron) particles suspended in fluid. Paint, ink, and milk are examples of colloids found in everyday life. The Binary Colloidal Alloy Test (BCAT) is part of an extensive series of experiments planned to investigate the fundamental properties of colloids so that scientists can make colloids more useful for technological applications. Some of the colloids studied in BCAT are made of two different sized particles (binary colloidal alloys) that are very tiny, uniform plastic spheres. Under the proper conditions, these colloids can arrange themselves in a pattern to form crystals. These crystals may form the basis of new classes of light switches, displays, and optical devices. Windows made of liquid crystals are already in the marketplace. These windows change their appearance from transparent to opaque when a weak electric current is applied. In the future, if the colloidal crystals can be made to control the passage of light through them, such products could be made much more cheaply. These experiments require the microgravity environment of space because good quality crystals are difficult to produce on Earth because of sedimentation and convection in the fluid. The BCAT experiment hardware included two separate modules for two different experiments. The "Slow Growth" hardware consisted of a 35-mm camera with a 250- exposure photo film cartridge. The camera was aimed toward the sample module, which contained 10 separate colloid samples. A rack of small lights provided backlighting for the photographs. The BCAT hardware was launched on the shuttle and was operated aboard the Russian space station Mir by American astronauts John Blaha and David Wolf (launched September 1996 and returned January 1997; reflown September 1997 and returned January 1998). To begin the experiment, one of these astronauts would mix the samples to disperse the colloidal particles and break up any crystals that might have already formed. Once the samples were mixed and the experiment was powered on, the hardware operated autonomously, taking photos of the colloidal samples over a 90-day period.

Hoffmann, Monica I.↗

Magnetic structure and multiferroicity of Sc-substituted hexagonal YbFeO 3

The hexagonal rare-earth ferrite RFeO 3 family represents a unique class of multiferroics exhibiting weak ferromagnetism, and a strong coupling between magnetism and structural trimerization is predicted. However, the hexagonal structure for RFeO 3 remains metastable in conventional conditions. We have succeeded in stabilizing the hexagonal structure of polycrystalline YbFeO 3 by partial Sc substitution of Yb. Using bulk magnetometry and neutron diffraction, we find that Yb 0.42 Sc 0.58 FeO 3 orders into a canted antiferromagnetic state with the Néel temperature T N ~ 165K, below which the Fe 3+ moments form the triangular configuration in the ab plane and their in-plane projections are parallel to the [100] axis, consistent with magnetic space group P6 3 c'm'. It is determined that the spin canting is aligned along the c axis, giving rise to the weak ferromagnetism. Furthermore, the Fe 3+ moments reorient toward a new direction below reorientation temperature T R ~ 40K, satisfying magnetic subgroup P6 3 , while the Yb 3+ moments order independently and ferrimagnetically along the c axis at the characteristic temperature T Yb ~ 15K. Interestingly, reproducible modulation of electric polarization induced by magnetic field at low temperature is achieved, suggesting that the delicate structural distortion associated with two-up/one-down buckling of the Yb/Sc planes and tilting of the FeO 5 bipyramids may mediate the coupling between ferroelectric and magnetic orders under magnetic field. Furthermore, the present work represents substantial progress to search for high-temperature multiferroics in hexagonal ferrites and related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

SPT-CL J2215−3537: A Massive Starburst at the Center of the Most Distant Relaxed Galaxy Cluster

Abstract We present the discovery of the most distant, dynamically relaxed cool core cluster, SPT-CL J2215−3537 (SPT2215), and its central brightest cluster galaxy (BCG) at z = 1.16. Using new X-ray observations, we demonstrate that SPT2215 harbors a strong cool core with a central cooling time of 200 Myr (at 10 kpc) and a maximal intracluster medium cooling rate of 1900 ± 400 M ⊙ yr −1 . This prodigious cooling may be responsible for fueling the extended, star-forming filaments observed in Hubble Space Telescope imaging. Based on new spectrophotometric data, we detect bright [O ii ] emission in the BCG, implying an unobscured star formation rate (SFR) of 320 − 140 + 230 M ⊙ yr −1 . The detection of a weak radio source (2.0 ± 0.8 mJy at 0.8 GHz) suggests ongoing feedback from an active galactic nucleus (AGN), though the implied jet power is less than half the cooling luminosity of the hot gas, consistent with cooling overpowering heating. The extreme cooling and SFR of SPT2215 are rare among known cool core clusters, and it is even more remarkable that we observe these at such high redshift, when most clusters are still dynamically disturbed. The high mass of this cluster, coupled with the fact that it is dynamically relaxed with a highly isolated BCG, suggests that it is an exceptionally rare system that must have formed very rapidly in the early universe. Combined with the high SFR, SPT2215 may be a high- z analog of the Phoenix cluster, potentially providing insight into the limits of AGN feedback and star formation in the most massive galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum Light Emission from Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Solid-state single-photon sources are essential building blocks for quantum photonics and quantum information technologies. This study demonstrates promising single-photon emission from quantum defects generated in single-wall carbon nanotubes (SWCNTs) by covalent reaction with guanine nucleotides in their single-stranded DNA coatings. Low-temperature photoluminescence spectroscopy and photon-correlation measurements on individual guanine-functionalized SWCNTs (GF-SWCNTs) indicate that multiple, closely spaced guanine defect sites within a single ssDNA strand collectively form an exciton trapping potential that supports a localized quantum state capable of room-temperature single-photon emission. In addition, exciton traps from adjacent ssDNA strands are weakly coupled to give cross-correlations between their separate photon emissions. Theoretical modeling identifies coupling mechanism as a capture of band-edge excitons. Finally, because the spatial pattern of nanotube functionalization sites can be readily controlled by selecting ssDNA base sequences, GF-SWCNTs should become a versatile family of quantum light emitters with engineered properties.

36 MATERIALS SCIENCE↗

A nonlinear journey from structural phase transitions to quantum annealing

Motivated by an exact mapping between equilibrium properties of a one-dimensional chain of quantum Ising spins in a transverse field (the transverse field Ising (TFI) model) and a two-dimensional classical array of particles in double-well potentials (the “$\phi$ 4 model”) with weak inter-chain coupling, we explore connections between the driven variants of the two systems. Here, we argue that coupling between the fundamental topological solitary waves in the form of kinks between neighboring chains in the classical $\phi$ 4 system is the analog of the competing effect of the transverse field on spin flips in the quantum TFI model. As an example application, we mimic simplified measurement protocols in a closed quantum model system by studying the classical $\phi$ 4 model subjected to periodic perturbations. This reveals memory/loss of memory and coherence/decoherence regimes, whose quantum analogs are essential in annealing phenomena. In particular, we examine regimes where the topological excitations control the thermal equilibration following perturbations. This paves the way for further explorations of the analogy between lower-dimensional linear quantum and higher-dimensional classical nonlinear systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

Spirals and skyrmions in antiferromagnetic triangular lattices

In this work, we study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material realization, we investigate the adsorption of transition-metal atoms (Cr, Mn, Fe, or Co) on a monolayer of MoS 2 , WS 2 , or WSe 2 and obtain the exchange, anisotropy, and Dzyaloshinskii-Moriya interaction parameters using first-principles calculations. Using energy minimization and parallel-tempering Monte Carlo simulations, we determine the magnetic phase diagrams for a wide range of interaction parameters. We find that skyrmion lattices can appear even with weak Dzyaloshinskii-Moriya interactions, but their stability is hindered by magnetic anisotropy. However, a weak easy plane magnetic anisotropy can be beneficial for stabilizing the skyrmion phase. Our results suggest that Cr/MoS 2 , Fe/MoS 2 , and Fe/WSe 2 interfaces can host spin spirals formed from the 120 degrees antiferromagnetic states. Our results further suggest that for interfaces, such as Fe/MoS 2 , the Dzyaloshinskii-Moriya interaction is strong enough to drive the system into a three-sublattice skyrmion lattice in the presence of experimentally feasible external magnetic field.

36 MATERIALS SCIENCE↗

Coronal loops and active region structure

Synoptic H-alpha Ca K, magnetograph and Skylab soft X-ray and EUV data were compared for the purpose of identifying the basic coronal magnetic structure of loops in a 'typical' active region and studying its evolution. A complex of activity in July 1973, especially McMath 12417, was emphasized. The principal results are: (1) most of the brightest loops connected the bright f plage to either the sunspot penumbra or to p satellite spots; no non-flaring X-ray loops end in umbrae; (2) short, bright loops had one or both ends in regions of emergent flux, strong field or high field gradients; (3) stable, strongly sheared loop arcades formed over filaments; (4) EFRs were always associated with compact X-ray arcades; and (5) loops connecting to other active regions had their bases in outlying plage of weak field strength in McM 417 where H-alpha fibrils marked the direction of the loops

Webb, D. F.↗

High-spectral resolution solar microwave observations

The application of high-spectral resolution microwave observations to the study of solar activity is discussed with particular emphasis on the frequency dependence of microwave emission from solar active regions. A shell model of gyroresonance emission from active regions is described which suggest that high-spectral resolution, spatially-resolved observations can provide quantitative information about the magnetic field distribution at the base of the corona. Corresponding observations of a single sunspot with the Owens Valley frequency-agile interferometer at 56 frequencies between 1.2 and 14 Ghs are presented. The overall form of the observed size and brightness temperature spectra was consistent with expectations based on the shell model, although there were differences of potential physical significance. The merits and weaknesses of microwave spectroscopy as a technique for measuring magnetic fields in the solar corona are briefly discussed.

Hurford, G. J.↗

Particle acceleration by electromagnetic ion cyclotron turbulence

The LF EM-turbulence which furnishes energy for the acceleration of ions in various regions of the earth's magnetosphere efficiently accomplishes its transfer of energy from waves to particles through ion cyclotron resonance (ICR) with the left-hand polarized component of the turbulence; the result of this interaction is a heating of the particle distribution. A general theoretical treatment of ICR heating in a weakly inhomogeneous magnetic geometry is presented, en route to a more detailed examination of auroral ion conics' formation. A substantial simplification of the analysis of the altitude-asymptotic form of the conic distribution is obtained via the similarity transformation introduced into the properties of the electric field spectral density and the earth's dipolar magnetic field.

Crew, G. B.↗

Impact experiments. III - Catastrophic fragmentation of aggregate targets and relation to asteroids

An experimental study is conducted of collisions employing artificial aggregates as targets, in order to ascertain the fragmentation characteristics of weakly bonded bodies that consist of stronger constituent particles, such as loosely aggregated planetesimals. It is established that weakly bonded aggregate bodies may exhibit unexpectedly high impact strengths due to constituent particles' energy dissipation. The cumulative size distributions of fragments that are larger than the constituent grains form power-law segments resembling those formed by the fragmentation of homogeneous targets.

Ryan, Eileen V.↗

The Solar Dynamics Observatory, Studying the Sun and Its Influence on Other Bodies in the Solar System

The solar photon output, which was once thought to be constant, varies over all time scales from seconds during solar flares to years due to the solar cycle. These solar variations cause significant deviations in the Earth and space environments on similar time scales, such as affecting the atmospheric densities and composition of particular atoms, molecules, and ions in the atmospheres of the Earth and other planets. Presented and discussed will be examples of unprecedented observations from NASA's new solar observatory, the Solar Dynamics Observatory (SDO). Using three specialized instruments, SDO measures the origins of solar activity from inside the Sun, though its atmosphere, then accurately measuring the Sun's radiative output in X-ray and EUV wavelengths (0.1-121 nm). Along with the visually appealing observations will be discussions of what these measurements can tell us about how the plasma motions in all layers of the Sun modifies and strengthens the weak solar dipole magnetic field to drive large energy releases in solar eruptions. Also presented will be examples of how the release of the Sun's energy, in the form of photons and high energy particles, physically influence other bodies in the solar system such as Earth, Mars, and the Moon, and how these changes drive changes in the technology that we are becoming dependent upon. The presentation will continuously emphasize how SDO, the first satellite in NASA's Living with a Star program, improving our understanding of the variable Sun and its Heliospheric influence.

Chamberlin, P. C.↗

A Proposed Model for Protein Crystal Nucleation and Growth

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme, based upon fluorescence, light, neutron, and X-ray scattering data, size exclusion chromatography experiments, dialysis kinetics, AFM, and modeling of growth rate data, from this and other laboratories. The first species formed is postulated to be a 'head to side' dimer. Through repeating associations involving the same intermolecular interactions this grows to a 4(sub 3) helix structure, that in turn serves as the basic unit for nucleation and subsequent crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates subsequent helix-helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub3)2(sub 1),2(sub 1) unit cell are filled. The process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the growth parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. In the general case for proteins the lack of a singularly defined association pathway may lead to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. This model, its basis, how it fits into the currently understood osmotic second virial coefficient approach to crystallization, and what it suggests will be discussed.

Pusey, Marc↗

Nucleation and Growth According to Lysozyme

How does one take a molecule, strongly asymmetric in both shape and charge distribution, and assemble it into a crystal? We propose a model for the nucleation and crystal growth process for tetragonal lysozyme that may be very germane to other monomeric proteins. The first species formed is postulated to be a dimer. Through repeating associations involving the same intermolecular interactions this becomes the 4(sub 3) helix, that in turn serves as the basic unit for nucleation and crystal growth. High salt attenuates surface charges while promoting hydrophobic interactions. Symmetry facilitates helix self-association. Assembly stability is enhanced when a four helix structure is obtained, with each bound to two neighbors. Only two unique interactions are required. The first are those for helix formation, where the dominant interaction is the intermolecular bridging anion. The second is the anti-parallel side-by-side helix-helix interaction, guided by alternating pairs of symmetry related salt bridges along each side. At this stage all eight unique positions of the P4(sub 3)2(sub 1)2(sub 1) unit cell are filled. From the above, the process is one of a) attenuating the most strongly interacting groups, such that b) the molecules begin to self-associate in defined patterns, so that c) symmetry is obtained, which d) propagates as a growing crystal. Simple and conceptually obvious in hindsight, this tells much about what we are empirically doing when we crystallize macromolecules. By adjusting the solution parameters we are empirically balancing the intermolecular interactions, preferentially attenuating the dominant strong (for lysozyme the charged groups) while strengthening the lesser strong (hydrophobic) interactions. Lysozyme is atypical in the breadth of its crystallization conditions; many proteins only crystallize under narrowly defined conditions, pointing to the criticality of the empirical balancing process. Lack of a singularly defined association pathway leads to formation of multiple species, i.e., amorphous precipitation. Weak interactions, such as hydrogen bonds, are promiscuous, serving to strengthen rather than define specific interactions. Participation in an interaction sequesters that surface from subsequent interactions, and we expect the strongest bonds to form first. When two molecules self associate the resulting species will have an axis of symmetry. Subsequent interactions between two associated species having equivalent interactions will also have symmetry. Only a few unique sets of interactions are required to give any of the commonly found space groups for monomeric proteins. This model and what it suggests will be discussed.

Pusey, Marc L.↗