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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

External charge compensation in etched gallium nitride measured by x-ray photoelectron spectroscopy

Electronic states at GaN surfaces and at regrowth and heteroepitaxy interfaces inhibit electronic device performance. Understanding electronic state configuration at the GaN surface is, therefore, crucial for the development of GaN-based devices, which are currently of considerable interest in power electronic applications. GaN and other wurtzite III-nitrides possess large spontaneous polarization along the c-axis, producing a bound sheet charge at the surface, which affects the electronic state configuration through the formation of internal and external compensation charges. Defects induced by conventional plasma-based dry etching methods may inhibit the internal screening of this bound charge and thus increase the concentration of external charged states. The surface band bending of n-type Ga-face GaN (0001) was measured with x-ray photoelectron spectroscopy after inductively coupled plasma etching to investigate the impact of dry etching on external charge compensation. GaN samples were etched using inductively coupled plasma with varying rf power and a novel plasma-enhanced atomic layer etching method using an oxidation, fluorination, and ligand-exchange mechanism. The band bending varied from 0.0 to 0.8 ± 0.1 eV for the samples measured.

Hatch, Kevin A. (ORCID:0000000283118623)↗
DOE OSTI2022

High-resolution CH stretch spectroscopy of jet-cooled cyclopentyl radical: First insights into equilibrium structure, out-of-plane puckering, and IVR dynamics

First, high-resolution sub-Doppler infrared spectroscopic results for cyclopentyl radical (C 5 H 9 ) are reported on the α-CH stretch fundamental with suppression of spectral congestion achieved by adiabatic cooling to T rot ≈ 19(4) K in a slit jet expansion. Surprisingly, cyclopentyl radical exhibits a rotationally assignable infrared spectrum, despite 3N – 6 = 36 vibrational modes and an upper vibrational state density (ρ ≈ 40–90 #/cm –1 ) in the critical regime (ρ ≈ 100 #/cm –1 ) necessary for onset of intramolecular vibrational relaxation (IVR) dynamics. Such high-resolution data for cyclopentyl radical permit detailed fits to a rigid-rotor asymmetric top Hamiltonian, initial structural information for ground and vibrationally excited states, and opportunities for detailed comparison with theoretical predictions. Specifically, high level ab initio calculations at the coupled-cluster singles, doubles, and perturbative triples (CCSD(T))/ANO0, 1 level are used to calculate an out-of-plane bending potential, which reveals a C 2 symmetry double minimum 1D energy surface over a C 2v transition state. Here, the inversion barrier [V barrier ≈ 3.7(1) kcal/mol] is much larger than the effective moment of inertia for out-of-plane bending, resulting in localization of the cyclopentyl wavefunction near its C 2 symmetry equilibrium geometry and tunneling splittings for the ground state too small (<1 MHz) to be resolved under sub-Doppler slit jet conditions. The persistence of fully resolved high-resolution infrared spectroscopy for such large cyclic polyatomic radicals at high vibrational state densities suggests a “deceleration” of IVR for a cycloalkane ring topology, much as low frequency torsion/methyl rotation degrees of freedom have demonstrated a corresponding “acceleration” of IVR processes in linear hydrocarbons.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Flexocaloric effect in superelastic materials

We present a combined theoretical–experimental study of flexocaloric effects in superelastic materials exhibiting structural transitions. We study a Ginzburg–Landau model combined with a vibrational model for a beam near a ferroelastic transition loaded with a three-point bending setup. We also perform experiments on a Cu–Al–Ni single crystal undergoing a martensitic transition. We measure bent beam profiles, vertical force vs vertical deflection during a slow isothermal process, time evolution of the bending and unbending amplitudes, and the evolution of temperature profiles. We also compute the evolution of heat source and heat sink profiles. Finally, we study the location of acoustic emission events during the bending/unbending experiment. Our observations are consistent with the model predictions and allow us to identify the main physical parameters relevant for flexocaloric applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Effect of nozzle translation on a bounded vortex flow

A bounded vortex flow is generated by a nozzle that combines azimuthally tilted downward jets in a circular array and a central suction port. When the nozzle is directed toward a bottom surface (called the impingement surface), the flow develops a strong intake vortex spanning from the impingement surface to the suction port, which acts to generate strong shear stress on the impingement surface. This strong shear stress can aid in removing particles attached to the impingement surface or in enhancement of heat or mass transfer, where in typical applications, the nozzle would be translated along the impingement surface. This paper reports on a computational study of the effect of nozzle translation on the bounded vortex flow field. The nozzle translation induces a bending of the bounded vortex in the downstream flow direction, which becomes larger with increase in the nozzle translation speed. We identify an interesting oscillatory phenomenon by which the bounded vortex can resist the bending induced by the translational flow and rotate about a mean position downstream of the suction port. At sufficiently high translation speeds, the oscillatory process can no longer resist the downwash effect from nozzle translation and the vortex eventually detaches from the impingement surface, limiting the effectiveness of this flow device.

42 ENGINEERING↗
DOE OSTI2025

Isomers and band assignments in the cryogenic vibrational spectrum of the binary complex between water and protonated formic acid using two color, IR–IR photobleaching and H/D isotopic substitution

Protonated formic acid (PFA) is purported to be the active species in the catalytic activation of condensation reactions at the acidic interface of microdroplets. Here, we investigate the fundamental interaction between PFA and water with cryogenic ion vibrational spectroscopy of the binary PFA–H 2 O complexes generated via electrospray ionization followed by buffer gas cooling to about 20 K. The patterns displayed by the isomer-specific IR spectra of D 2 -tagged PFA–H 2 O indicate that two distinct, non-interconverting rotamers are present at low temperatures based on the cis and trans structures of the HCO 2 $H$$^{+}_{2}$ core ion. Both of these occur with the water molecule attached to the OH that is in a cis-configuration relative to the CH group (denoted E), but differ in the E vs Z (cis vs trans relative to the CH group) orientation of the spectator OH. This assignment scheme corrects a previous theoretical analysis that invoked a scenario in which structures with E- and Z-bound water molecules interconvert at low (20 K) temperatures. Isomer-specific bands arising from the OH stretches and water bending modes are deconvoluted using isotopomer-specific spectroscopy of the complexes with partial H/D exchange. The dependence of the nominal shared proton OH stretch frequency on the deuteration of the tethered water confirms strong coupling between this mode and the water bending fundamental.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Transient hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation. I. Conformer- and isomer-resolved infrared spectra

Transient carbon-centered hydroperoxyalkyl intermediates (•QOOH) in isopentane oxidation are characterized by infrared (IR) action spectroscopy under jet-cooled conditions with selective detection of hydroxyl (OH) radical products. Two distinct •QOOH isomers with radical sites at a primary carbon of one of the methyl groups (β-Me) or a secondary carbon (β-Et) of the ethyl group are identified by comparison with theoretically calculated IR absorption features for multiple conformers, including C–O, ethyl, and O–O torsions of the two isomers. Here, a master-equation analysis is developed and utilized to explore the conformational cooling process and the resultant conformer population distributions of the two isomers. Most of the IR features observed, including those in the strong fundamental and first overtone OH stretch regions as well as weaker combination bands involving OH stretch with torsion or OOH bend, are in good accord with computed anharmonic frequencies for the most populated conformers of the •QOOH_Et isomer. Relatively weak IR features most evident in the fundamental and first overtone OH stretch regions are ascribed to multiple conformers of the less stable •QOOH_Me isomer, along with a weak feature that is uniquely attributed to a combination band involving asymmetric CH 2 stretch and HCH bend of •QOOH_Me.

Chemical reaction jet spectroscopy↗
DOE OSTI2016

Microring resonator-based optical router for photonic networks-on-chip

We report the design and analysis of a non-blocking microring resonator-based optical switched router, which can be used as a switch node to construct a large photonic routing network on chips. The proposed optical router has sixteen microrings, fourteen crossings and four 90° waveguide bends, which could be tuned through the thermo-optic (TO) or electro-optic (EO) effect. Compared with a previously described 5 × 5 optical switching router, our router comprises fewer microring resonators (MRRs), crossings and bends, which results in a more compact design, a higher switching speed, a lower loss and a lower optical power consumption. In addition, all the rings operate at the same wavelength making it scalable to a network of any size. (transmission and processing of optical information)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Interplay of Structure, Elasticity, and Dynamics in Actin-Based Nematic Materials

Achieving control and tunability of lyotropic materials has been a long-standing goal of liquid crystal research. Here we show that the elasticity of a liquid crystal system consisting of a dense suspension of semiflexible biopolymers can be manipulated over a relatively wide range of elastic moduli. Specifically, thin films of actin filaments are assembled at an oil-water interface. At sufficiently high concentrations, one observes the formation of a nematic phase riddled with +/- 1/2 topological defects, characteristic of a two-dimensional nematic system. As the average filament length increases, the defect morphology transitions from a U shape into a V shape, indicating the relative increase of the material's bend over splay modulus. Furthermore, through the sparse addition of rigid microtubule filaments, one can gain additional control over the liquid crystal's elasticity. We show how the material's bend constant can be raised linearly as a function of microtubule filament density, and present a simple means to extract absolute values of the elastic moduli from purely optical observations. Finally, we demonstrate that it is possible to predict not only the static structure of the material, including its topological defects, but also the evolution of the system into dynamically arrested states. Despite the nonequilibrium nature of the system, our continuum model, which couples structure and hydrodynamics, is able to capture the annihilation and movement of defects over long time scales. Thus, we have experimentally realized a lyotropic liquid crystal system that can be truly engineered, with tunable mechanical properties, and a theoretical framework to capture its structure, mechanics, and dynamics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dimers of mitochondrial ATP synthase induce membrane curvature and self-assemble into rows

Mitochondrial ATP synthases form dimers, which assemble into long ribbons at the rims of the inner membrane cristae. We reconstituted detergent-purified mitochondrial ATP synthase dimers from the green algae Polytomella sp. and the yeast Yarrowia lipolytica into liposomes and examined them by electron cryotomography. Tomographic volumes revealed that ATP synthase dimers from both species self-assemble into rows and bend the lipid bilayer locally. The dimer rows and the induced degree of membrane curvature closely resemble those in the inner membrane cristae. Monomers of mitochondrial ATP synthase reconstituted into liposomes do not bend membrane visibly and do not form rows. No specific lipids or proteins other than ATP synthase dimers are required for row formation and membrane remodelling. Long rows of ATP synthase dimers are a conserved feature of mitochondrial inner membranes. They are required for cristae formation and a main factor in mitochondrial morphogenesis.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Imaging the Renner–Teller effect using laser-induced electron diffraction

Structural information on electronically excited neutral molecules can be indirectly retrieved, largely through pump–probe and rotational spectroscopy measurements with the aid of calculations. Here, we demonstrate the direct structural retrieval of neutral carbonyl disulfide (CS 2 ) in the B ~ 1 B 2 excited electronic state using laser-induced electron diffraction (LIED). We unambiguously identify the ultrafast symmetric stretching and bending of the field-dressed neutral CS 2 molecule with combined picometer and attosecond resolution using intrapulse pump–probe excitation and measurement. We invoke the Renner–Teller effect to populate the B ~ 1 B 2 excited state in neutral CS 2 , leading to bending and stretching of the molecule. Our results demonstrate the sensitivity of LIED in retrieving the geometric structure of CS 2 , which is known to appear as a two-center scatterer.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Root angle is controlled by EGT1 in cereal crops employing an antigravitropic mechanism

Root angle in crops represents a key trait for efficient capture of soil resources. Root angle is determined by competing gravitropic versus antigravitropic offset (AGO) mechanisms. Here we report a root angle regulatory gene termed ENHANCED GRAVITROPISM1 ( EGT1 ) that encodes a putative AGO component, whose loss-of-function enhances root gravitropism. Mutations in barley and wheat EGT1 genes confer a striking root phenotype, where every root class adopts a steeper growth angle. EGT1 encodes an F-box and Tubby domain-containing protein that is highly conserved across plant species. Haplotype analysis found that natural allelic variation at the barley EGT1 locus impacts root angle. Gravitropic assays indicated that Hvegt1 roots bend more rapidly than wild-type. Transcript profiling revealed Hvegt1 roots deregulate reactive oxygen species (ROS) homeostasis and cell wall-loosening enzymes and cofactors. ROS imaging shows that Hvegt1 root basal meristem and elongation zone tissues have reduced levels. Atomic force microscopy measurements detected elongating Hvegt1 root cortical cell walls are significantly less stiff than wild-type. In situ analysis identified HvEGT1 is expressed in elongating cortical and stele tissues, which are distinct from known root gravitropic perception and response tissues in the columella and epidermis, respectively. We propose that EGT1 controls root angle by regulating cell wall stiffness in elongating root cortical tissue, counteracting the gravitropic machinery’s known ability to bend the root via its outermost tissues. We conclude that root angle is controlled by EGT1 in cereal crops employing an antigravitropic mechanism.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Rippled metamaterials with scale-dependent tailorable elasticity

Thermally induced ripples are intrinsic features of nanometer-thick films, atomically thin materials, and cell membranes, significantly affecting their elastic properties. Despite decades of theoretical studies on the mechanics of suspended thermalized sheets, controversy still exists over the impact of these ripples, with conflicting predictions about whether elasticity is scale-dependent or scale-independent. Experimental progress has been hindered so far by the inability to have a platform capable of fully isolating and characterizing the effects of ripples. This knowledge gap limits the fundamental understanding of thin materials and their practical applications. Here, we show that thermal-like static ripples shape thin films into a class of metamaterials with scale-dependent, customizable elasticity. Utilizing a scalable semiconductor manufacturing process, we engineered nanometer-thick films with precisely controlled frozen random ripples, resembling snapshots of thermally fluctuating membranes. Resonant frequency measurements of rippled cantilevers reveal that random ripples effectively renormalize and enhance the average bending rigidity and sample-to-sample variations in a scale-dependent manner, consistent with recent theoretical estimations. The predictive power of the theoretical model, combined with the scalability of the fabrication process, was further exploited to create kirigami architectures with tailored bending rigidity and mechanical metamaterials with delayed buckling instability.

Applied Physical Sciences↗
DOE OSTI2014

Design Study of an MBA Lattice for the Advanced Photon Source

Recent interest in ultra-low-emittance designs for storage-ring-based synchrotron light sources has spurred a focused design effort on a multi-bend achromat (MBA) storage ring replacement for the Advanced Photon Source (APS). The APS is relatively large (1104 m circumference) and, as such, an upgrade to a fourth-generation storage ring holds the potential for a two to three order of magnitude enhancement of X-ray brightness due to the approximate inverse cubic scaling of emittance with the number of dipole bend magnets.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

New features of the symbiotic recurrent nova V407 Cygni found in the outburst in 2010

The spectral evolution of V407 Cyg during the outburst in 2010 is reported. The coronal emission lines [Fe x] 6374, [Ar x] 5535, and [Ar xi] 6919 strengthened rapidly around day 20 of the outburst, which coincided with the growth of soft X-ray flux. On the other hand, the non-coronal forbidden lines [O i], [N ii], [O iii], etc. strengthened between days 40 and 60, which coincided with the fading of the soft X-rays. The luminosities in the UV and optical regions also decreased in the same period, and were seen as bends on the light curves. Our observations suggest that the fading of the soft X-rays and the bends on the light curves were likely related to a rapid decreasing of the emission measure of the nebulosity, and may not have been due to the cessation of the hydrogen burning in the system. It seems that the coronal emission lines were emitted by the collision of the ejecta with the circumstellar envelope as well as the soft X-rays. Intensities of the emission lines of He i relative to Hβ probably increased in the first 3 days of the outburst and decreased in the successive 10 days and then recovered, while no other line showed a similar variation. The variations in intensity of the He i emission lines coincided with that of the γ-ray flux in the first two weeks of the outburst. The helium abundance derived from the intensities of the He i and He ii emission lines relative to Hβ appeared to have decreased from N(He) = 0.17 to 0.076 according to the fading of the He i lines, and then increased to 0.20 when the intensities recovered in the later stage of the outburst. It is unlikely that the helium abundance really changed so much during the outburst. There might have been an unknown mechanism that weakened the He i emission lines. The distance to V407 Cyg is estimated to be 5.3±1 kpc. The absolute V mag at maximum light of the outburst was probably fainter by about 0.6 mag than that expected from the time for a 2 mag decline.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

LOCAL STUDY OF ACCRETION DISKS WITH A STRONG VERTICAL MAGNETIC FIELD: MAGNETOROTATIONAL INSTABILITY AND DISK OUTFLOW

We perform three-dimensional, vertically-stratified, local shearing-box ideal MHD simulations of the magnetorotational instability (MRI) that include a net vertical magnetic flux, which is characterized by midplane plasma {beta}{sub 0} (ratio of gas to magnetic pressure). We have considered {beta}{sub 0} = 10{sup 2}, 10{sup 3}, and 10{sup 4}, and in the first two cases the most unstable linear MRI modes are well resolved in the simulations. We find that the behavior of the MRI turbulence strongly depends on {beta}{sub 0}: the radial transport of angular momentum increases with net vertical flux, achieving {alpha} {approx} 0.08 for {beta} = 10{sup 4} and {alpha} {approx}> 1.0 for {beta}{sub 0} = 100, where {alpha} is the height-integrated and mass-weighted Shakura-Sunyaev parameter. A critical value lies at {beta}{sub 0} {approx} 10{sup 3}: for {beta}{sub 0} {approx}> 10{sup 3}, the disk consists of a gas pressure dominated midplane and a magnetically dominated corona. The turbulent strength increases with net flux, and angular momentum transport is dominated by turbulent fluctuations. The magnetic dynamo that leads to cyclic flips of large-scale fields still exists, but becomes more sporadic as net flux increases. For {beta}{sub 0} {approx}< 10{sup 3}, the entire disk becomes magnetically dominated. The turbulent strength saturates, and the magnetic dynamo is fully quenched. Stronger large-scale fields are generated with increasing net flux, which dominates angular momentum transport. A strong outflow is launched from the disk by the magnetocentrifugal mechanism, and the mass flux increases linearly with net vertical flux and shows sign of saturation at {beta}{sub 0} {approx}< 10{sup 2}. However, the outflow is unlikely to be directly connected to a global wind: for {beta}{sub 0} {approx}> 10{sup 3}, the large-scale field has no permanent bending direction due to dynamo activities, while for {beta}{sub 0} {approx}< 10{sup 3}, the outflows from the top and bottom sides of the disk bend towards opposite directions, inconsistent with a physical disk wind geometry. Global simulations are needed to address the fate of the outflow.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

RELAXATION OF WARPED DISKS: THE CASE OF PURE HYDRODYNAMICS

Orbiting disks may exhibit bends due to a misalignment between the angular momentum of the inner and outer regions of the disk. We begin a systematic simulational inquiry into the physics of warped disks with the simplest case: the relaxation of an unforced warp under pure fluid dynamics, i.e., with no internal stresses other than Reynolds stress. We focus on the nonlinear regime in which the bend rate is large compared to the disk aspect ratio. When warps are nonlinear, strong radial pressure gradients drive transonic radial motions along the disk's top and bottom surfaces that efficiently mix angular momentum. The resulting nonlinear decay rate of the warp increases with the warp rate and the warp width, but, at least in the parameter regime studied here, is independent of the sound speed. The characteristic magnitude of the associated angular momentum fluxes likewise increases with both the local warp rate and the radial range over which the warp extends; it also increases with increasing sound speed, but more slowly than linearly. The angular momentum fluxes respond to the warp rate after a delay that scales with the square root of the time for sound waves to cross the radial extent of the warp. These behaviors are at variance with a number of the assumptions commonly used in analytic models to describe linear warp dynamics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Diffuse optical intracluster light as a measure of stellar tidal stripping: The cluster CL0024+17 at z ∼ 0.4 observed at the large binocular telescope

We have evaluated the diffuse intracluster light (ICL) in the central core of the galaxy cluster CL0024+17 at z ∼ 0.4 observed with the prime focus camera (Large Binocular Camera) at the Large Binocular Telescope. The measure required an accurate removal of the galaxies' light within ∼200 kpc from the center. The residual background intensity has then been integrated in circular apertures to derive the average ICL intensity profile. The latter shows an approximate exponential decline as expected from theoretical cold dark matter models where the ICL is due to the integrated contribution of light from stars that are tidally stripped from the halo of their host galaxies due to encounters with other galaxies in the cluster cold dark matter (CDM) potential. The radial profile of the ICL over the galaxies intensity ratio (ICL fraction) is increasing with decreasing radius, but near the cluster center it starts to bend and then decreases where the overlap of the halos of the brightest cluster galaxies becomes dominant. Theoretical expectations in a simplified CDM scenario show that the ICL fraction profile can be estimated from the stripped over galaxy stellar mass ratio in the cluster. It is possible to show that the latter quantity is almost independent of the properties of the individual host galaxies but mainly depends on the average cluster properties. The predicted ICL fraction profile is thus very sensitive to the assumed CDM profile, total mass, and concentration parameter of the cluster. Adopting values very similar to those derived from the most recent lensing analysis in CL0024+17, we find a good agreement with the observed ICL fraction profile. The galaxy counts in the cluster core have then been compared with that derived from composite cluster samples in larger volumes, up to the clusters virial radius. The galaxy counts in the CL0024+17 core appear flatter and the amount of bending with respect to the average cluster galaxy counts imply a loss of total emissivity in broad agreement with the measured ICL fraction. The present analysis shows that the measure of the ICL fraction in clusters can quantitatively account for the stellar stripping activity in their cores and can be used to probe their CDM distribution and evolutionary status.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

MOJAVE. XII. ACCELERATION AND COLLIMATION OF BLAZAR JETS ON PARSEC SCALES

We report on the acceleration properties of 329 features in 95 blazar jets from the MOJAVE Very Long Baseline Array program. Nearly half the features and three-quarters of the jets show significant changes in speed and/or direction. In general, apparent speed changes are distinctly larger than changes in direction, indicating that changes in the Lorentz factors of jet features dominate the observed speed changes rather than bends along the line of sight. Observed accelerations tend to increase the speed of features near the jet base, ≲ 10-20 pc projected, and decrease their speed at longer distances. The range of apparent speeds at a fixed distance in an individual jet can span a factor of a few, indicating that shock properties and geometry may influence the apparent motions; however, we suggest that the broad trend of jet features increasing their speed near the origin is due to an overall acceleration of the jet flow out to deprojected distances of the order of 10{sup 2} pc, beyond which the flow begins to decelerate or remains nearly constant in speed. We estimate intrinsic rates of change of the Lorentz factors in the galaxy frame of the order of Γ-dot /Γ≃10{sup −3} to 10{sup –2} yr{sup –1}, which can lead to total Lorentz factor changes of a factor of a few on the length scales observed here. Finally, we also find evidence for jet collimation at projected distances of ≲ 10 pc in the form of the non-radial motion and bending accelerations that tend to better align features with the inner jet.

79 ASTRONOMY AND ASTROPHYSICS↗