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At least 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
NASA NTRS1994

Molecular Dynamics of a Water-Lipid Bilayer Interface

We present results of molecular dynamics simulations of a glycerol 1-monooleate bilayer in water. The total length of analyzed trajectories is 5ns. The calculated width of the bilayer agrees well with the experimentally measured value. The interior of the membrane is in a highly disordered fluid state. Atomic density profile, orientational and conformational distribution functions, and order parameters indicate that disorder increases toward the center of the bilayer. Analysis of out-of-plane thermal fluctuations of the bilayer surfaces occurring at the time scale of the present calculations reveals that the distribution of modes agrees with predictions of the capillary wave model. Fluctuations of both bilayer surfaces are uncorrelated, yielding Gaussian distribution of instantaneous widths of the membrane. Fluctuations of the width produce transient thinning defects in the bilayer which occasionally span almost half of the membrane. The leading mechanism of these fluctuations is the orientational and conformational motion of head groups rather than vertical motion of the whole molecules. Water considerably penetrates the head group region of the bilayer but not its hydrocarbon core. The total net excess dipole moment of the interfacial water points toward the aqueous phase, but the water polarization profile is non-monotonic. Both water and head groups significantly contribute to the surface potential across the interface. The calculated sign of the surface potential is in agreement with that from experimental measurements, but the value is markedly overestimated. The structural and electrical properties of the water-bilayer system are discussed in relation to membrane functions, in particular transport of ions and nonelectrolytes across membranes.

Wilson, Michael A.↗
NASA NTRS1996

Electrochemical Impedance Spectroscopy of Conductive Polymer Coatings

Electrochemical impedance spectroscopy (EIS) was used to investigate the corrosion protection performance of twenty nine proprietary conductive polymer coatings for cold rolled steel under immersion in 3.55 percent NaCl. Corrosion potential as well as Bode plots of the data were obtained for each coating after one hour immersion, All coatings, with the exception of one, have a corrosion potential that is higher in the positive direction than the corrosion potential of bare steel under the same conditions. Group A consisted of twenty one coatings with Bode plots indicative of the capacitive behavior characteristic of barrier coatings. An equivalent circuit consisting of a capacitor in series with a resistor simulated the experimental EIS data for these coatings very well. Group B consisted of eight coatings that exhibited EIS spectra showing an inflection point which indicates that two time constants are present. This may be caused by an electrochemical process taking place which could be indicitive of coating failing. These coatings have a lower impedance that those in Group A.

Calle, Luz Marina↗
NASA NTRS1972

Modes of vibration in a circular plate with three simple support points.

The analytical solutions for the vibrational modes of a thin circular flat plate that is simply supported at three points on the circumference are presented. The mode shapes and corresponding eigenvalues are obtained. Results show that the modes can be grouped into four different types depending on the manner by which they receive the pressure at the supported points. The problem is of the mixed boundary value type in that some portion of the boundary is free while the other portion is simply supported.

Chi, C.↗
DOE OSTI2023

Codimension-2 defects and higher symmetries in (3+1)D topological phases

(3+1)D topological phases of matter can host a broad class of non-trivial topological defects of codimension-1, 2, and 3, of which the well-known point charges and flux loops are special cases. The complete algebraic structure of these defects defines a higher category, and can be viewed as an emergent higher symmetry. This plays a crucial role both in the classification of phases of matter and the possible fault-tolerant logical operations in topological quantum error-correcting codes. In this paper, we study several examples of such higher codimension defects from distinct perspectives. We mainly study a class of invertible codimension-2 topological defects, which we refer to as twist strings. We provide a number of general constructions for twist strings, in terms of gauging lower dimensional invertible phases, layer constructions, and condensation defects. We study some special examples in the context of \mathbb{Z}_2 ℤ 2 gauge theory with fermionic charges, in \mathbb{Z}_2 \times \mathbb{Z}_2 ℤ 2 × ℤ 2 gauge theory with bosonic charges, and also in non-Abelian discrete gauge theories based on dihedral ( D_n D n ) and alternating ( A_6 A 6 ) groups. The intersection between twist strings and Abelian flux loops sources Abelian point charges, which defines an H^4 H 4 cohomology class that characterizes part of an underlying 3-group symmetry of the topological order. The equations involving background gauge fields for the 3-group symmetry have been explicitly written down for various cases. We also study examples of twist strings interacting with non-Abelian flux loops (defining part of a non-invertible higher symmetry), examples of non-invertible codimension-2 defects, and examples of the interplay of codimension-2 defects with codimension-1 defects. We also find an example of geometric, not fully topological, twist strings in (3+1)D A_6 A 6 gauge theory.

Barkeshli, Maissam↗
NASA NTRS2019

Ka-band Phase Measurement System for SWOT Mission

The KaRIn (Ka-band radar interferometer) instrument for SWOT (surface water ocean topography) mission faces unique challenges in terms of phase stability and group delay stability requirements to achieve centimeter level accuracy for height measurements. Conventional altimetry assumes nadir point return and measures a single range. SWOT will require additional angle of arrival information to provide swath coverage. Errors in differential phase and common group delay can both act as primary sources of systematic errors in determining the height using interferometric data. The ground support equipment (GSE) necessary for the performance requirements verification gets a fraction of the error allocation from the instrument. A phase measurement system capable of measuring millidegrees and working with pulsed excitation is developed and the preliminary results are described in this paper.

Esteban-Fernandez, Daniel↗
DOE OSTI2022

A model of persistent breaking of continuous symmetry

We consider a UV-complete field-theoretic model in general dimensions, including d=2+1, which consists of two copies of the long-range vector models, with O(m) and O(N-m) global symmetry groups, perturbed by double-trace operators. Using conformal perturbation theory we find weakly-coupled IR fixed points for N\geq 6 N ≥ 6 that reveal a spontaneous breaking of global symmetry. Namely, at finite temperature the lower rank group is broken, with the pattern persisting at all temperatures due to scale-invariance. We provide evidence that the models in question are unitary and invariant under full conformal symmetry. Furthermore, we show that this model exhibits a continuous family of weakly interacting field theories at finite N.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Tetracopper σ‐Bound μ ‐Acetylide and ‐Diyne Units Stabilized by a Naphthyridine‐based Dinucleating Ligand

Abstract Reactions of a dicopper(I) tert ‐butoxide complex with alkynes possessing boryl or silyl capping groups resulted in formation of unprecedented tetracopper(I) μ ‐acetylide/diyne complexes that were characterized by NMR and UV/Vis spectroscopy, mass spectrometry and single‐crystal X‐ray diffraction. These compounds possess an unusual μ 4 ‐ η 1 : η 1 : η 1 : η 1 coordination mode for the bridging organic fragment, enforced by the rigid and dinucleating nature of the ligand utilized. Thus, the central π system remains unperturbed and accessible for subsequent reactivity and modification. This has been corroborated by addition of a fifth copper atom, giving rise to a pentacopper acetylide complex. This work may provide a new approach by which metal‐metal cooperativity can be exploited in the transformation of acetylide and diyne groups to a variety of substrates, or as a starting point for the controlled synthesis of copper(I) alkyne‐containing clusters.

Ríos, Pablo↗
DOE OSTI2023

Tetracopper σ‐Bound μ ‐Acetylide and ‐Diyne Units Stabilized by a Naphthyridine‐based Dinucleating Ligand

Abstract Reactions of a dicopper(I) tert ‐butoxide complex with alkynes possessing boryl or silyl capping groups resulted in formation of unprecedented tetracopper(I) μ ‐acetylide/diyne complexes that were characterized by NMR and UV/Vis spectroscopy, mass spectrometry and single‐crystal X‐ray diffraction. These compounds possess an unusual μ 4 ‐ η 1 : η 1 : η 1 : η 1 coordination mode for the bridging organic fragment, enforced by the rigid and dinucleating nature of the ligand utilized. Thus, the central π system remains unperturbed and accessible for subsequent reactivity and modification. This has been corroborated by addition of a fifth copper atom, giving rise to a pentacopper acetylide complex. This work may provide a new approach by which metal‐metal cooperativity can be exploited in the transformation of acetylide and diyne groups to a variety of substrates, or as a starting point for the controlled synthesis of copper(I) alkyne‐containing clusters.

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

Casimir effect in Very Special Relativity at finite temperature

Recently a great deal of interest in field theories formulated in a Lorentz violating framework has been developed. Here the Very Special Relativity (VSR) is considered. The main aspect in the VSR proposal is that laws of physics are invariant under the subgroups of the Poincaré group preserving the basic elements of special relativity. An important point is that the photon acquires a mass. In this context, the energy–momentum tensor for the electromagnetic field is calculated. From this, the Stefan–Boltzmann law and Casimir effect at finite temperature in VSR are obtained. The effects of temperature are introduced using the Thermo Field Dynamics (TFD) formalism. A comparative analysis with the Casimir effect for the standard electromagnetic case is developed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Second-order nonlinear optical and linear ultraviolet-visible absorption properties of the type-II multiferroic candidates RbFe( A O 4 ) 2 ( A = Mo, Se, S)

Motivated by the search for type-II multiferroics, in this work, we present a comprehensive optical study of a complex oxide family of type-II multiferroic candidates: RbFe(MoO 4 ) 2 , RbFe(SeO 4 ) 2 , and RbFe(SO 4 ) 2 .We employ rotationalanisotropy second harmonic generation spectroscopy (RA SHG), a technique sensitive to point symmetries, to address discrepancies in literature-assigned point/space groups and to identify the correct crystal structures. At room temperature we find that our RA SHG patterns rotate away from the crystal axes in RbFe(AO 4 ) 2 ( A = Se, S), which identifies the lack of mirror symmetry and in-plane two-fold rotational symmetry. Also, the SHG efficiency of RbFe(SeO 4 ) 2 is two orders of magnitude stronger than RbFe(AO 4 )2 ( A = Mo, S), which suggests broken inversion symmetry. Additionally, we present temperature-dependent linear optical characterizations near the band edge of this family of materials using ultraviolet-visible absorption spectroscopy. Included is experimental evidence of the band gap energy and band gap transition type for this family. Subband gap absorption is also presented, which reveals prominent optical transitions, some with an unusual central energy temperature dependence. Furthermore, we find that by substituting the A site in RbFe(AO 4 ) 2 ( A = Mo, Se, S), the aforementioned transitions are spectrally tunable. Finally, we discuss the potential origin and impact of these tunable transitions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Occupational disorder as the origin of flattening of the acoustic phonon branches in the clathrate Ba 8 ⁢Ga 16 ⁢Ge 30

In the search for high-performance thermoelectrics, materials such as clathrates have drawn attention due to having both glasslike low phonon thermal conductivity and crystal-like high electrical conductivity. Ba 8 ⁢Ga 16 ⁢Ge 30 (BGG) has a loosely bound guest Ba atom trapped inside rigid Ga-Ge cage structures. Avoided crossings between acoustic phonons and the flat guest atom branches have been proposed to be the source of the low lattice thermal conductivity of BGG. Ga-Ge site disorder with Ga and Ge exchanging places in different unit cells has also been reported. We used time-of-flight neutron scattering to measure the complete phonon spectrum in a large single crystal of BGG and compared these results with predictions of density functional theory to elucidate the effect of the disorder on heat-carrying phonons. Experimental results agreed much better with the calculation assuming the disorder than with the calculation assuming the ordered configuration. Although the atomic masses of Ga and Ge are nearly identical, we found that disorder strongly reduces phonon group velocities, which significantly reduces thermal conductivity. Finally, our work points to a path towards optimizing thermoelectrics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1975

The escape of magnetic flux from a turbulent body of gas

Topological conditions on the surface of a turbulent body of highly conductive fluid under which escape of magnetic force lines would be impossible (Drobyshevski, Yuferev 1974) are studied with exact calculation of intermediate field configurations as a possible explanation of the decay of stellar magnetic fields via turbulent mixing. It is shown that upward escape of magnetic force lines in the regions between convective cells is possible through rapid reconnection of the force lines (studied as neutral point annihilation) such as occurs continually in rapidly evolving sunspot groups. It is concluded that there exists no topological barrier to the escape of magnetic flux from the sun or from the local galaxy.

Parker, E. N.↗
NASA NTRS1991

Structure of medium Mach number quasi-parallel shocks - Upstream and downstream waves

The transition from steady low-Mach-number to unsteady high-Mach-number quasi-parallel shocks was investigated by performing large-scale 1D hybrid code simulations at increasing Mach numbers. It was found that only at very low Mach number shocks the steepening is limited by upstream phase-standing whistlers, as predicted by the classical theory (Tidman and Northrop, 1968). In the intermediate region of Mach numbers between 1.5 and 3.5, a very diverse behavior is observed. Backstreaming ions generate fast magnetosonic waves which dominate the upstream, with wavelengths longer than phase-standing whistlers. At increasing Mach numbers, the phase and group velocities of the dominant waves are reduced until they point back toward the shock; when there is sufficient energy flux in these waves, they lead to unsteady shock behavior and eventually to shock reformation.

Krauss-Varban, D.↗
NASA NTRS2012

The NASA X-Ray Mission Concepts Study

The 2010 Astrophysics Decadal Survey recommended a significant technology development program towards realizing the scientific goals of the International X-ray Observatory (IXO). NASA has undertaken an X-ray mission concepts study to determine alternative approaches to accomplishing IXO's high ranking scientific objectives over the next decade given the budget realities, which make a flagship mission challenging to implement. The goal of the study is to determine the degree to which missions in various cost ranges from $300M to $2B could fulfill these objectives. The study process involved several steps. NASA released a Request for Information in October 2011, seeking mission concepts and enabling technology ideas from the community. The responses included a total of 14 mission concepts and 13 enabling technologies. NASA also solicited membership for and selected a Community Science Team (CST) to guide the process. A workshop was held in December 2011 in which the mission concepts and technology were presented and discussed. Based on the RFI responses and the workshop, the CST then chose a small group of notional mission concepts, representing a range of cost points, for further study. These notional missions concepts were developed through mission design laboratory activities in early 2012. The results of all these activities were captured in the final X-ray mission concepts study report, submitted to NASA in July 2012. In this presentation, we summarize the outcome of the study. We discuss background, methodology, the notional missions, and the conclusions of the study report.

Petre, Robert↗
NASA NTRS1957

Surge-Inception Study in a Two-Spool Turbojet Engine

A two-spool turbojet engine was operated in the Lewis altitude wind tunnel to study the inception of compressor surge. In addition to the usual steady-state pressure and temperature measurements, the compressors were extensively instrumented with fast-response interstage pressure transducers. Thus it was possible to obtain maps for both compressors, pressure oscillations during rotating stall, effects of stall on efficiency, and stage-loading curves. In addition, with the transient measurements, it was possible to record interstage pressures and then compute stage performance during accelerations to the stall limit. Rotating stall was found to exist at low speeds in the outer spool. Although the stall arose from poor flow conditions at the inlet-stage blade tips, the low-energy air moved through the machine from the tip at the inlet to the outer spool to the hub at the inlet to the inner spool. This tip stall ultimately resulted in compressor surge in the mid-speed region, and necessitated inter-compressor air bleed. Interstage pressure measurements during acceleration to the compressor stall limit indicated that rotating stall was not a necessary condition for compressor surge and that, at the critical stall point, the circumferential interstage pressure distribution was uniform. The exit-stage group of the inner spool was first t o stall; then, the stages upstream stalled in succession until the inlet stage of the outer spool was stalled. With a sufficiently high fuel rate, the process repeated with a cycle time of about 0.1 second. It was possible to construct reproducible stage stall lines as a function of compressor speed from the stage stall points of several such compressor surges. This transient stall line was checked by computing the stall line from a steady-state stage-loading curve. Good agreement between the stage stall lines was obtained by these two methods.

Wallner, Lewis E.↗
NASA NTRS2007

Critical Phenomena in Microgravity: Past, Present, and Future

This review provides an overview of the progress in using the low-gravity environment of space to explore critical phenomena and test modern theoretical predictions. Gravity-induced variations in the hydrostatic pressure and the resulting density gradients adversely affect ground-based measurements near fluid critical points. Performing measurements in a low-gravity environment can significantly reduce these difficulties. A number of significant experiments have been performed in low-Earth orbit. Experiments near the lambda transition in liquid helium explored the regime of large correlation lengths and tested the theoretical predictions to a level of precision that could not be obtained on Earth. Other studies have validated theoretical predictions for the divergence in the viscosity as well as the unexpected critical speeding up of the thermal equilibrium process in pure fluids near the liquid-gas critical point. We describe the scientific content of previously flown low-gravity investigations of critical phenomena as well as those in the development stage, and associated ground-based work.

renormalization-group theory↗
NASA NTRS1980

Three-dimensional stability of growing boundary layers

A theory is developed for the linear stability of three-dimensional growing boundary layers. The method of multiple scales is used to derive partial-differential equations describing the temporal and spatial evolution of the complex amplitudes and wavenumbers of the disturbances. In general, these equations are elliptic unless certain conditions are satisfied. For a monochromatic disturbance, these conditions demand that the ratio of the components of the complex group velocity be real and thereby relate the direction of growth of the disturbance to the disturbance wave angle. For a nongrowing boundary layer, this condition reduces to d-alpha/d-beta being real, in agreement with the result obtained by using the saddle-point method. For a wavepacket, these conditions demand that the components of the group velocity be real.

Nayfeh, A. H.↗