Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “BENDING”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Evolution of the electronic structure of C{sub 60}/La{sub 0.67}Sr{sub 0.33}MnO{sub 3} interface

The evolution of the electronic structure at the interface between fullerene (C{sub 60}) and La{sub 0.67}Sr{sub 0.33}MnO{sub 3} (LSMO) has been investigated with ultraviolet photoemission spectroscopy and X-ray photoemission spectroscopy. There is a 0.61 eV barrier for the electrons to be injected from LSMO to C{sub 60}. The energy bands keep bending upward with increasing C{sub 60} thickness. A total energy bending of 0.72 eV is observed, changing the C{sub 60} film from n-type to p-type. The n-p transition is ascribed to the diffusion of oxygen from LSMO to C{sub 60} which subsequently strips electrons from C{sub 60}, making the latter p-type. Our results suggest a buffer layer be inserted between the LSMO and C{sub 60} to lower the interface electron barrier and prevent deterioration of the C{sub 60} film in related spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Emittance and lifetime measurement with damping wigglers

National Synchrotron Light Source II (NSLS-II) is a new third-generation storage ring light source at Brookhaven National Laboratory. The storage ring design calls for small horizontal emittance (<1 nm-rad) and diffraction-limited vertical emittance at 12 keV (8 pm-rad). Achieving low value of the beam size will enable novel user experiments with nm-range spatial and meV-energy resolution. The high-brightness NSLS-II lattice has been realized by implementing 30-cell double bend achromatic cells producing the horizontal emittance of 2 nm rad and then halving it further by using several Damping Wigglers (DWs). This paper is focused on characterization of the DW effects in the storage ring performance, namely, on reduction of the beam emittance, and corresponding changes in the energy spread and beam lifetime. The relevant beam parameters have been measured by the X-ray pinhole camera, beam position monitors, beam filling pattern monitor, and current transformers. In this paper, we compare the measured results of the beam performance with analytic estimates for the complement of the 3 DWs installed at the NSLS-II.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Band alignment of HfO{sub 2}/AlN heterojunction investigated by X-ray photoelectron spectroscopy

The band alignment between AlN and Atomic-Layer-Deposited (ALD) HfO{sub 2} was determined by X-ray photoelectron spectroscopy (XPS). The shift of Al 2p core-levels to lower binding energies with the decrease of take-off angles θ indicated upward band bending occurred at the AlN surface. Based on the angle-resolved XPS measurements combined with numerical calculations, valence band discontinuity ΔE{sub V} of 0.4 ± 0.2 eV at HfO{sub 2}/AlN interface was determined by taking AlN surface band bending into account. By taking the band gap of HfO{sub 2} and AlN as 5.8 eV and 6.2 eV, respectively, a type-II band line-up was found between HfO{sub 2} and AlN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Mode-selective chemistry on metal surfaces: The dissociative chemisorption of CH{sub 4} on Pt(111)

A quantum approach based on an expansion in vibrationally adiabatic eigenstates is used to explore CH{sub 4} dissociation on Pt(111). Computed sticking probabilities for molecules in the ground, 1v{sub 3} and 2v{sub 3}, states are in very good agreement with the available experimental data, reproducing the variation in reactivity with collision energy and vibrational state. As was found in similar studies on Ni(100) and Ni(111), exciting the 1v{sub 1} symmetric stretch of CH{sub 4} is more effective at promoting the dissociative chemisorption of CH{sub 4} than exciting the 1v{sub 3} antisymmetric stretch. This behavior is explained in terms of symmetry, mode-softening, and nonadiabatic transitions between vibrationally adiabatic states. We find that the efficacies of the bending modes for promoting reaction are reasonably large, and similar to the 1v{sub 3} state. The vibrational efficacies for promoting reaction on Ni(111) are larger than for reaction on Pt(111), due to the larger nonadiabatic couplings. Our computed sticking probabilities are in good agreement with results from recent ab initio molecular dynamics and reactive force field studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

The application of the mesh-free method in the numerical simulations of the higher-order continuum structures

This paper attempts to study the application of mesh-free method in the numerical simulations of the higher-order continuum structures. A high-order bending beam considers the effect of the third-order derivative of deflections, and can be viewed as a one-dimensional higher-order continuum structure. The moving least-squares method is used to construct the shape function with the high-order continuum property, the curvature and the third-order derivative of deflections are directly interpolated with nodal variables and the second- and third-order derivative of the shape function, and the mesh-free computational scheme is establish for beams. The coupled stress theory is introduced to describe the special constitutive response of the layered rock mass in which the bending effect of thin layer is considered. The strain and the curvature are directly interpolated with the nodal variables, and the mesh-free method is established for the layered rock mass. The good computational efficiency is achieved based on the developed mesh-free method, and some key issues are discussed.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Sharpness of interference pattern of the 3-pole wiggler

Due to the small emittance, radiation from neighboring poles of a strong wiggler in future multi-bend achromat-based storage rings can exhibit sharp interference patterns. The spectral-angular distributions of the 3-pole wiggler for the proposed Advanced Photon Source (APS) upgrade were computed and prominent interference patterns were found. In this paper we provide an understanding of such interference patterns. The equations governing the interference pattern are described and computed spectral-angular distributions of a modeled 3-pole wiggler magnetic field using these equations are presented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

The PETRA III extension

The 3{sup rd} generation low-emittance 6 GeV PETRA III facility has been substantially modified to add new beamlines. This extension project involved the complete removal and reconstruction of part of the storage ring with a double-bend achromat lattice as well as the construction of two new experimental halls. Making use of two long straight sections and a canted undulator scheme in the rebuilt arcs, up to ten new insertion device beamlines can be accommodated. In the current phase of the project, seven insertion device and one bending magnet beamline are being implemented.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Photon beamline frontends for the PETRA III extension project

The photon beamline frontend design for the new insertion device (ID) beamlines of the PETRA III extension project will be presented. The design is based on the concepts developed for the photon beamline frontends at PETRA III. This generic design approach minimized the number of specialized components for all beamlines. The girder concept with kinematic mounts at each girder allowed a fast and reliable installation phase. The extension beamlines are located in two new additional buildings. There will be 4 sectors with two undulator IDs in each sector with a canting angle of 20 mrad between the insertion devices. Additionally, two straight sections and a bending magnet chamber will be modified: one straight section will be transformed to a side station sector, the straight section with the 40 m long damping wiggler will be used as a hard X-ray source, and the bending magnet will serve as a soft-X-ray source.

43 PARTICLE ACCELERATORS↗
DOE OSTI2016

Novel technique for spatially resolved imaging of molecular bond orientations using x-ray birefringence

Birefringence has been observed in anisotropic materials transmitting linearly polarized X-ray beams tuned close to an absorption edge of a specific element in the material. Synchrotron bending magnets provide X-ray beams of sufficiently high brightness and cross section for spatially resolved measurements of birefringence. The recently developed X-ray Birefringence Imaging (XBI) technique has been successfully applied for the first time using the versatile test beamline B16 at Diamond Light Source. Orientational distributions of the C–Br bonds of brominated “guest” molecules within crystalline “host” tunnel structures (in thiourea or urea inclusion compounds) have been studied using linearly polarized incident X-rays near the Br K-edge. Imaging of domain structures, changes in C–Br bond orientations associated with order-disorder phase transitions, and the effects of dynamic averaging of C–Br bond orientations have been demonstrated. The XBI setup uses a vertically deflecting high-resolution double-crystal monochromator upstream from the sample and a horizontally deflecting single-crystal polarization analyzer downstream, with a Bragg angle as close as possible to 45°. In this way, the ellipticity and rotation angle of the polarization of the beam transmitted through the sample is measured as in polarizing optical microscopy. The theoretical instrumental background calculated from the elliptical polarization of the bending-magnet X-rays, the imperfect polarization discrimination of the analyzer, and the correlation between vertical position and photon energy introduced by the monochromator agrees well with experimental observations. The background is calculated analytically because the region of X-ray phase space selected by this setup is sampled inefficiently by standard methods.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Measurement and models of bent KAP(001) crystal integrated reflectivity and resolution (invited)

The Advanced Light Source beamline-9.3.1 x-rays are used to calibrate the rocking curve of bent potassium acid phthalate (KAP) crystals in the 2.3-4.5 keV photon-energy range. Crystals are bent on a cylindrically convex substrate with a radius of curvature ranging from 2 to 9 in. and also including the flat case to observe the effect of bending on the KAP spectrometric properties. As the bending radius increases, the crystal reflectivity converges to the mosaic crystal response. The X-ray Oriented Programs (XOP) multi-lamellar model of bent crystals is used to model the rocking curve of these crystals and the calibration data confirm that a single model is adequate to reproduce simultaneously all measured integrated reflectivities and rocking-curve FWHM for multiple radii of curvature in both 1st and 2nd order of diffraction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Anharmonic exciton dynamics and energy dissipation in liquid water from two-dimensional infrared spectroscopy

Water’s extended hydrogen-bond network results in rich and complex dynamics on the sub-picosecond time scale. In this paper, we present a comprehensive analysis of the two-dimensional infrared (2D IR) spectrum of O–H stretching vibrations in liquid H{sub 2}O and their interactions with bending and intermolecular vibrations. By exploring the dependence of the spectrum on waiting time, temperature, and laser polarization, we refine our molecular picture of water’s complex ultrafast dynamics. The spectral evolution following excitation of the O–H stretching resonance reveals vibrational dynamics on the 50–300 fs time scale that are dominated by intermolecular delocalization. These O–H stretch excitons are a result of the anharmonicity of the nuclear potential energy surface that arises from the hydrogen-bonding interaction. The extent of O–H stretching excitons is characterized through 2D depolarization measurements that show spectrally dependent delocalization in agreement with theoretical predictions. Furthermore, we show that these dynamics are insensitive to temperature, indicating that the exciton dynamics alone set the important time scales in the system. Finally, we study the evolution of the O–H stretching mode, which shows highly non-adiabatic dynamics suggestive of vibrational conical intersections. We argue that the so-called heating, commonly observed within ∼1 ps in nonlinear IR spectroscopy of water, is a nonequilibrium state better described by a kinetic temperature rather than a Boltzmann distribution. Our conclusions imply that the collective nature of water vibrations should be considered in describing aqueous solvation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Characterization of the primary hydration shell of the hydroxide ion with H 2 tagging vibrational spectroscopy of the OH - ∙ (H 2 O) n=2,3 and OD - ∙ (D 2 O) n=2,3 clusters

In this paper, we report the isotope-dependent vibrational predissociation spectra of the H 2 -tagged OH - ∙ (H 2 O) n=2,3 clusters, from which we determine the strongly coordination-dependent energies of the fundamentals due to the OH groups bound to the ion and the intramolecular bending modes of the water molecules. The HOH bending fundamental is completely missing in the delocalized OH - ∙ (H 2 O) binary complex but is recovered upon adding the second water molecule, thereby establishing that the dihydrate behaves as a hydroxide ion solvated by two essentially intact water molecules. The energies of the observed OH stretches are in good agreement with the values predicted by Takahashi and co-workers [Phys. Chem. Chem. Phys. 17, 25505 (2015); 15, 114 (2013)] with a theoretical model that treats the strong anharmonicities at play in this system with explicit coupling between the bound OH groups and the O–O stretching modes on an extended potential energy surface. We highlight a surprising similarity between the spectral signatures of OH - ∙ (H 2 O) 3 and the excess proton analogue, H 3 O + ∙ (H 2 O) 3 , both of which correspond to completed hydration shells around the proton defect. Finally, we discuss the origin of the extreme solvatochromicity displayed by both OH - and H + in the context of the anomalously large “proton polarizabilities” of the H 5 O 2 + and H 3 O 2 - binary complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Probing elastically or plastically induced structural heterogeneities in bulk metallic glasses by nanoindentation pop-in tests

Shear banding dynamics in bulk metallic glasses (BMGs) is manifested by the spatiotemporal evolution of strain fields which in turn depend on structural heterogeneities. The spacing of these heterogeneities, as a characteristic length scale, was determined from the analysis of nanoindentation pop-in tests using a stochastic model. Furthermore, the pre-stress by elastic bending and residual stress by plastic bending of BMG plates were found to dramatically decrease such spacings, thus increasing heterogeneity density and mechanically rejuvenating the glass structure.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Localization of magnon modes in a curved magnetic nanowire

Spin waves in magnetic nanowires can be bound by a local bending of the wire. The eigenfrequency of a truly local magnon mode is determined by the curvature: a general analytical expression is established for any infinitesimally weak localized curvature of the wire. In conclusion, the interaction of the local mode with spin waves, propagating through the bend, results in scattering features, which is well confirmed by spin-lattice simulations.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

High-resolution infrared spectroscopy of jet cooled CH 2 Br radicals: The symmetric CH stretch manifold and absence of nuclear spin cooling

Direct laser absorption of a slit supersonic discharge expansion provides the first high-resolution spectroscopic results on the symmetric CH stretch excitation (ν 1 ) of the bromomethyl (CH 2 Br) radical in the ground electronic state. Narrowband (<1 MHz) mid-infrared radiation is produced by difference-frequency generation of two visible laser beams, with the open shell halohydrocarbon radical generated by electron dissociative attachment of CH 2 Br 2 in a discharge and rapidly cooled to T rot = 18 ± 1 K in the subsequent slit-jet supersonic expansion. A rovibrational structure in the radical spectrum is fully resolved, as well as additional splittings due to spin-rotation effects and 79 Br/ 81 Br isotopologues in natural abundance. Spectroscopic constants and band origins are determined by fitting the transition frequencies to a non-rigid Watson Hamiltonian, yielding results consistent with a vibrationally averaged planar radical and an unpaired electron in the out-of-plane p π orbital. Additionally, extensive satellite band structure from a vibrational hot band is observed and analyzed. The hot band data is compared to CFOUR/VPT2 (CCSD(T)cc-pVQZ) ab initio anharmonic predictions of the vibration rotation alpha matrix, which permits unambiguous assignment to CH 2 symmetric-stretch excitation built on the singly excited CH 2 out-of-plane bending mode (ν 1 + ν 4 ← ν 4 ). Longitudinal cooling of the Doppler width in the slit-jet expansion geometry also reveals partially resolved hyperfine structure on transitions out of the lowest angular momentum states in excellent agreement with predictions based on microwave studies. High level ab initio MOLPRO calculations [CCSD(T)-f12b/VnZ-f12 (n = 3, 4, CBS)] are also performed with explicitly correlated f12 electron methods for the out-of-plane CH 2 bending mode over the halogen series CH 2 X (X = F, Cl, Br, I), which clearly reveals a non-planar geometry for X = F (with a ΔE ≈ 0.3 kcal/mol barrier) and yet planar equilibrium geometries for X = Cl, Br, and I. Finally, a detailed Boltzmann analysis of the transition intensities provides support for negligible collisional equilibration of the entangled H atom nuclear spin states on the few hundred microsecond time scale and high collision densities of a slit supersonic expansion.

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

Mechanical behavior of ultralight nickel metamaterial

The mechanical response of ultralight kagomé structures consisting of hollow nickel (Ni) nanotubes and solid Ni nanorods to compression is studied using molecular dynamics simulations. In both kagomé architectures, 16[112] Shockley partial dislocations and twin formation are observed under compression. The structure made from solid nanorods shows deformation near both the nodes and beams of the kagomé lattice. The hollow kagomé architecture has a higher yield point than the solid kagomé structure. The deformation in the hollow nanotube structure is mostly localized in the nodal region for strains less than 11%. At higher strains, the deformation sets in all the struts and nodes of the hollow kagomé lattice. Owing to this two-stage deformation mechanism, the hollow Ni nanotube kagomé structure shows less bending and greater toughness than the solid Ni nanorod kagomé architecture.

Rajak, Pankaj (ORCID:0000000263446056)↗
DOE OSTI2021

Performance demonstration of vacuum microwave components critical for the operation of the ITER low-field side reflectometer

Final design studies in preparation for manufacturing have been performed for functional components of the vacuum portion of the ITER Low-Field Side Reflectometer (LFSR). These components consist of an antenna array, electron cyclotron heating (ECH) protection mirrors, phase calibration mirrors, and vacuum windows. Evaluation of these components was conducted at the LFSR test facility and DIII-D. The antenna array consists of six corrugated-waveguide antennas for simultaneous profile, fluctuation, and Doppler measurements. A diffraction grating, incorporated into the plasma-facing miter bend, provides protection of sensitive components from stray ECH at 170 GHz. For in situ phase calibration of the LFSR profile reflectometer, an embossed mirror is incorporated into the adjacent miter bend. Measurements of the radiated beam profile indicate that these components have a small, acceptable effect on mode conversion and beam quality. Baseline transmission characteristics of the dual-disk vacuum window are obtained and are used to guide ongoing developments. Preliminary simulations indicate that a surface-relief structure on the window surfaces can greatly improve transmission. The workability of real-time phase measurements was demonstrated on the DIII-D profile reflectometer. The new automated real-time analysis agrees well with the standard post-processing routine.

47 OTHER INSTRUMENTATION↗
DOE OSTI2021

Infrared spectroscopy of RG–Co + (H 2 O) complexes (RG = Ar, Ne, He): The role of rare gas “tag” atoms

RG n –Co + (H 2 O) cation complexes (RG = Ar, Ne, He) are generated in a supersonic expansion by pulsed laser vaporization. Here, complexes are mass-selected using a time-of-flight spectrometer and studied with infrared laser photodissociation spectroscopy, measuring the respective mass channels corresponding to the elimination of the rare gas “tag” atom. Spectral patterns and theory indicate that the structures of the ions with a single rare gas atom have this bound to the cobalt cation opposite the water moiety in a near-C 2v arrangement. The O–H stretch vibrations of the complex are shifted compared to those of water because of the metal cation charge-transfer interaction; these frequencies also vary systematically with the rare gas atom attached. The efficiencies of photodissociation also vary with the rare gas atoms because of their widely different binding energies to the cobalt cation. The spectrum of the argon complex could only be measured when at least three argon atoms were attached. In the case of the helium complex, the low binding energy allows the spectra to be measured for the low-frequency H–O–H scissors bending mode and for the O–D stretches of the deuterated analog. The partially resolved rotational structure for the antisymmetric O–H and O–D stretches reveals the temperature of these complexes (6 K) and establishes the electronic ground state. The helium complex has the same 3 B 1 ground state as the tag-free complex studied previously by Metz and co-workers (2013), but the A rotational constant is contaminated by vibrational averaging from the bending motion of the helium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗