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At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Multi-angle quantum approximate optimization algorithm

The quantum approximate optimization algorithm (QAOA) generates an approximate solution to combinatorial optimization problems using a variational ansatz circuit defined by parameterized layers of quantum evolution. In theory, the approximation improves with increasing ansatz depth but gate noise and circuit complexity undermine performance in practice. Here, we investigate a multi-angle ansatz for QAOA that reduces circuit depth and improves the approximation ratio by increasing the number of classical parameters. Even though the number of parameters increases, our results indicate that good parameters can be found in polynomial time for a test dataset we consider. This new ansatz gives a 33% increase in the approximation ratio for an infinite family of MaxCut instances over QAOA. The optimal performance is lower bounded by the conventional ansatz, and we present empirical results for graphs on eight vertices that one layer of the multi-angle anstaz is comparable to three layers of the traditional ansatz on MaxCut problems. Similarly, multi-angle QAOA yields a higher approximation ratio than QAOA at the same depth on a collection of MaxCut instances on fifty and one-hundred vertex graphs. Many of the optimized parameters are found to be zero, so their associated gates can be removed from the circuit, further decreasing the circuit depth. These results indicate that multi-angle QAOA requires shallower circuits to solve problems than QAOA, making it more viable for near-term intermediate-scale quantum devices.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

Long range correlations and folding angle with applications to α-helical proteins

The conformational complexity of chain-like macromolecules such as proteins and other linear polymers is much larger than that of point-like atoms and molecules. Unlike particles, chains can bend, twist, and even become knotted. Thus chains might also display a much richer phase structure. Unfortunately, it is not very easy to characterize the phase of a long chain. Essentially, the only known attribute is the radius of gyration. The way how it changes when the degree of polymerization becomes different, and how it evolves when the ambient temperature and solvent properties change, is commonly used to disclose the phase. But in any finite length chain there are corrections to scaling that complicate the detailed analysis of the phase structure. Here we introduce a quantity that we call the folding angle to identify and scrutinize the phase structure, as a complement to the radius of gyration. We argue for a mean-field level relationship between the folding angle and the scaling exponent in the radius of gyration. We then estimate the value of the folding angle in the case of crystallographic α-helical protein structures in the Protein Data Bank. We also show how the experimental value of the folding angle can be obtained computationally, using a semiclassical Born-Oppenheimer description of α-helical chiral chains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Glancing angle deposition of SiO{sub 2} thin film microstructures: Investigations of optical and morphological properties

In present work, the optical and the morphological properties of micro-structured SiO{sub 2} thin films fabricated by using glancing angle deposition (GLAD) technique has been carried out. The results are compared with the normally deposited SiO{sub 2} films for the gained advantages. The influence of the glancing angle on the refractive index of porous SiO{sub 2} film was investigated by the spectral transmission measurement in 400–950 nm wavelength regimes. The refractive index has been found to be 1.14@532 nm for the porous SiO{sub 2} film deposited at a glancing angle of 85°. The density and surface qualities of these samples were primarily investigated by using grazing angle X-ray reflectivity (GIXR) and atomic force microscope (AFM) measurements. Results indicate a substantial decrease in film density and refractive index and increase in surface roughness and grain size for GLAD SiO{sub 2} compared to normally deposited SiO{sub 2} films.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Accurate measurement of relative tilt and azimuth angles in electron tomography: A comparison of fiducial marker method with electron diffraction

Electron tomography is a method whereby a three-dimensional reconstruction of a nanoscale object is obtained from a series of projected images measured in a transmission electron microscope. We developed an electron-diffraction method to measure the tilt and azimuth angles, with Kikuchi lines used to align a series of diffraction patterns obtained with each image of the tilt series. Since it is based on electron diffraction, the method is not affected by sample drift and is not sensitive to sample thickness, whereas tilt angle measurement and alignment using fiducial-marker methods are affected by both sample drift and thickness. The accuracy of the diffraction method benefits reconstructions with a large number of voxels, where both high spatial resolution and a large field of view are desired. The diffraction method allows both the tilt and azimuth angle to be measured, while fiducial marker methods typically treat the tilt and azimuth angle as an unknown parameter. The diffraction method can be also used to estimate the accuracy of the fiducial marker method, and the sample-stage accuracy. A nano-dot fiducial marker measurement differs from a diffraction measurement by no more than ±1°.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Tunable all-angle negative refraction and photonic band gaps in two-dimensional plasma photonic crystals with square-like Archimedean lattices

In this paper, the tunable all-angle negative refraction and photonic band gaps (PBGs) in two types of two-dimensional (2D) plasma photonic crystals (PPCs) composed of homogeneous plasma and dielectric (GaAs) with square-like Archimedean lattices (ladybug and bathroom lattices) for TM wave are theoretically investigated based on a modified plane wave expansion method. The type-1 structure is dielectric rods immersed in the plasma background, and the complementary structure is named as type-2 PPCs. Theoretical simulations demonstrate that the both types of PPCs with square-like Archimedean lattices have some advantages in obtaining the higher cut-off frequency, the larger PBGs, more number of PBGs, and the relative bandwidths compared to the conventional square lattices as the filling factor or radius of inserted rods is same. The influences of plasma frequency and radius of inserted rod on the properties of PBGs for both types of PPCs also are discussed in detail. The calculated results show that PBGs can be manipulated by the parameters as mentioned above. The possibilities of all-angle negative refraction in such two types of PPCs at low bands also are discussed. Our calculations reveal that the all-angle negative phenomena can be observed in the first two TM bands, and the frequency range of all-angle negative refraction can be tuned by changing plasma frequency. Those properties can be used to design the optical switching and sensor.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Correlation between the spin Hall angle and the structural phases of early 5d transition metals

We have studied the relationship between the structure and the spin Hall angle of the early 5d transition metals in X/CoFeB/MgO (X = Hf, Ta, W, and Re) heterostructures. Spin Hall magnetoresistance (SMR) is used to characterize the spin Hall angle of the heavy metals. Transmission electron microscopy images show that all underlayers are amorphous-like when their thicknesses are small, however, crystalline phases emerge as the thickness is increased for certain elements. We find that the heavy metal layer thickness dependence of the SMR reflects these changes in structure. The largest spin Hall angle |θ{sub SH}| of Hf, Ta, W, and Re (∼0.11, 0.10, 0.23, and 0.07, respectively) is found when the dominant phase is amorphous-like. We find that the amorphous-like phase not only possesses large resistivity but also exhibits sizeable spin Hall conductivity, which both contribute to the emergence of the large spin Hall angle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Energy bandgap variation in oblique angle-deposited indium tin oxide

Indium tin oxide (ITO) thin films deposited using the oblique angle deposition (OAD) technique exhibit a strong correlation between structural and optical properties, especially the optical bandgap energy. The microstructural properties of ITO thin films are strongly influenced by the tilt angle used during the OAD process. When changing the tilt angle, the refractive index, porosity, and optical bandgap energy of ITO films also change due to the existence of a preferential growth direction at the interface between ITO and the substrate. Experiments reveal that the ITO film's optical bandgap varies from 3.98 eV (at normal incident deposition) to 3.87 eV (at a 60° tilt angle)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Angle-resolved diffraction grating biosensor based on porous silicon

In this study, an optical biosensor based on a porous silicon composite structure was fabricated using a simple method. This structure consists of a thin, porous silicon surface diffraction grating and a one-dimensional porous silicon photonic crystal. An angle-resolved diffraction efficiency spectrum was obtained by measuring the diffraction efficiency at a range of incident angles. The angle-resolved diffraction efficiency of the 2nd and 3rd orders was studied experimentally and theoretically. The device was sensitive to the change of refractive index in the presence of a biomolecule indicated by the shift of the diffraction efficiency spectrum. The sensitivity of this sensor was investigated through use of an 8 base pair antifreeze protein DNA hybridization. The shifts of the angle-resolved diffraction efficiency spectrum showed a relationship with the change of the refractive index, and the detection limit of the biosensor reached 41.7 nM. This optical device is highly sensitive, inexpensive, and simple to fabricate. Using shifts in diffraction efficiency spectrum to detect biological molecules has not yet been explored, so this study establishes a foundation for future work.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Angle-dependent bandgap engineering in gated graphene superlattices

Graphene Superlattices (GSs) have attracted a lot of attention due to its peculiar properties as well as its possible technological implications. Among these characteristics we can mention: the extra Dirac points in the dispersion relation and the highly anisotropic propagation of the charge carriers. However, despite the intense research that is carried out in GSs, so far there is no report about the angular dependence of the Transmission Gap (TG) in GSs. Here, we report the dependence of TG as a function of the angle of the incident Dirac electrons in a rather simple Electrostatic GS (EGS). Our results show that the angular dependence of the TG is intricate, since for moderated angles the dependence is parabolic, while for large angles an exponential dependence is registered. We also find that the TG can be modulated from meV to eV, by changing the structural parameters of the GS. These characteristics open the possibility for an angle-dependent bandgap engineering in graphene.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Tunable angle absorption of hyperbolic metamaterials based on plasma photonic crystals

We present the design of a multilayer structure of hyperbolic metamaterials based on plasma photonic crystals which composed of two kinds of traditional dielectric and plasma. The relative permittivity of hyperbolic metamaterials has been studied at certain frequency range. The absorption and reflection of the multilayer period structure at normal and oblique incident have been investigated by the transfer matrix method. We discussed that the absorption is affected by the thickness of material and the electron collision frequency γ of the plasma. The results show that an absorption band at the low frequency can be obtained at normal incident angle and another absorption band at the high frequency can be found at a large incident angle. The results may be applied by logical gate, stealth, tunable angle absorber, and large angle filter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Dislocation structures and electrical conduction properties of low angle tilt grain boundaries in LiNbO{sub 3}

Dislocations in crystalline materials constitute unique, atomic-scale, one-dimensional structure and have a potential to induce peculiar physical properties that are not found in the bulk. In this study, we fabricated LiNbO{sub 3} bicrystals with low angle tilt grain boundaries and investigated the relationship between the atomic structure of the boundary dislocations and their electrical conduction properties. Observations by using transmission electron microscopy revealed that dislocation structures at the (0001) low angle tilt grain boundaries depend on the tilt angle of the boundaries. Specifically, the characteristic dislocation structures with a large Burgers vector were formed in the boundary with the tilt angle of 2°. It is noteworthy that only the grain boundary of 2° exhibits distinct electrical conductivity after reduction treatment, although LiNbO{sub 3} is originally insulating. This unique electrical conductivity is suggested to be due to the characteristic dislocation structures with a large Burgers vector.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Sensitivity of magnetic field-line pitch angle measurements to sawtooth events in tokamaks

The sensitivity of the pitch angle profiles measured by the motional Stark effect (MSE) diagnostic to the evolution of the safety factor, q, profiles during the tokamak sawtooth events has been investigated for Korea Superconducting Tokamak Advanced Research (KSTAR). An analytic relation between the tokamak pitch angle, γ, and q estimates that Δγ ∼ 0.1° is required for detecting Δq ∼ 0.05 near the magnetic axis (not at the magnetic axis, though). The pitch angle becomes less sensitive to the same Δq for the middle and outer regions of the plasma (Δγ ∼ 0.5°). At the magnetic axis, it is not straightforward to directly relate the γ sensitivity to Δq since the gradient of γ(R), where R is the major radius of the tokamak, is involved. Many of the MSE data obtained from the 2015 KSTAR campaign, when calibrated carefully, can meet these requirements with the time integration down to 10 ms. The analysis with the measured data shows that the pitch angle profiles and their gradients near the magnetic axis can resolve the change of the q profiles including the central safety factor, q{sub 0}, during the sawtooth events.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

The detonation cylinder test: Determination of full wall velocity and shape from a single velocimetry probe with an arbitrary angle

Laser velocimetry probes are used for measuring wall velocity in cylinder test expansion experiments. Previously, a method was developed to determine the full wall velocity, angle and case shape from a single probe aligned with the initial cylinder wall normal (S.I. Jackson, Proc. Combust. Inst., Vol. 35, 2015, pg.1997-2004). However, probes are often positioned at arbitrary (non-normal) angles to optimize light return from the cylinder surface. This work extends the prior method to accommodate arbitrary probe angles and allows solution of the full cylinder wall motion and shape from a single probe, using only the assumption of steady flow in the shock frame. When used in conjunction with the prior method, it can also be used to approximate the detonation product isentrope analytically from a single velocimetry probe at any angle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Angle-dependent strong-field ionization of halomethanes

We study, experimentally and theoretically, the ionization probability of singly halogenated methane molecules, CH 3 Cl and CH 3 Br, in intense linearly polarized 800 nm laser pulses as a function of the angle between the molecular axis and the laser polarization. Experimentally, the molecules are exposed to two laser pulses with a relative time delay. The first, weaker pulse induces a nuclear rotational wave packet within the molecules, which are then ionized by the second, stronger pulse. The angle-dependent ionization yields are extracted from fits of the measured delay-dependent ionization signal to a superposition of moments of the rotational wave packet’s angular distribution. Angle-dependent strong-field ionization (SFI) yields are also calculated using time-dependent density functional theory. Good agreement between measurements and theory is obtained. Interestingly, we find a marked difference between the angle-dependence of the ionization yields for these two halomethane species despite the similar structure of their highest occupied molecular orbitals. Calculations reveal that these differences are a result of multichannel (CH 3 Cl) vs single-channel (CH 3 Br) ionization and of increased hole localization on Br vs Cl. By adding calculations for CH 3 F, we can discern clear trends in the ionization dynamics with increasing halogen mass. These results are illustrative, as chemical functionalization and molecular alignment are likely to be important parameters for initiating and controlling charge migration dynamics via SFI.

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

Recent Advances in Small Angle X-ray Scattering for Superlattice Study

Small-angle x-ray scattering is used for the structure determination of superlattice for its superior resolution, nondestructive nature, and high penetration power of x rays. With the advent of high brilliance x-ray sources and innovative computing algorithms, there have been notable advances in small angle x-ray scattering analysis of superlattices. High brilliance x-ray beams have made data analyses less model-dependent. Additionally, novel data acquisition systems are faster and more competitive than ever before, enabling a more accurate mapping of the superlattices' reciprocal space. Fast and high-throughput computing systems and algorithms also make possible advanced analysis methods, including iterative phasing algorithms, non-parameterized fitting of scattering data with molecular dynamics simulations, and the use of machine learning algorithms. As a result, solving nanoscale structures with high resolutions has become an attainable task. In this review, we highlight new developments in the field and introduce their applications for the analysis of nanoscale ordered structures, including nanoparticle supercrystals, nanoscale lithography patterns, and supramolecular self-assemblies. Particularly, we highlight the reciprocal space mapping techniques and the use of iterative phase retrieval algorithms. We also cover coherent-beam-based small angle x-ray scattering techniques such as ptychography and ptycho-tomography in view of the traditional small angle x-ray scattering perspective.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Influence of magnetic angle on the E × B drift in a magnetic presheath

In this work, we provide experimental measurements of the E X B flow above a non-magnetic, absorbing boundary in a magnetized plasma. Measurements are taken as a function of the angle between the background magnetic field and the boundary normal. The measurements are compared to computational predictions for oblique magnetic fields based on Chodura's model. Ion flow measurements were obtained with laser induced fluorescence and the presheath potential structure was measured with an emissive probe. The ions were found to accelerate to nearly 30% of the sound speed parallel to the boundary at oblique angles of the magnetic field (~80°) and the ion speed at the electrostatic sheath edge was found to decrease with angle. The edge of the magnetic presheath has been experimentally determined based on the appearance of the E X B drift and is found to be independent of the angle of the magnetic field. We also demonstrate that laser induced fluorescence is suitable as a non-perturbative diagnostic to measure the electric field in a magnetized sheath.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Pitch angle of galactic spiral arms

One of the key parameters that characterizes spiral arms in disk galaxies is a pitch angle that measures the inclination of a spiral arm to the direction of galactic rotation. The pitch angle differs from galaxy to galaxy, which suggests that the rotation law of galactic disks determines it. In order to investigate the relation between the pitch angle of spiral arms and the shear rate of galactic differential rotation, we perform local N-body simulations of pure stellar disks. We find that the pitch angle increases with the epicycle frequency and decreases with the shear rate and obtain the fitting formula. This dependence is explained by the swing amplification mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

SCATTTERING OF HIGH-ENERGY PARTICLES AT A COLLISIONLESS SHOCK FRONT: DEPENDENCE ON THE SHOCK ANGLE

Many shock acceleration theories deal with gyrophase-averaged particle distributions that depend only on the energy and pitch angle of the particles. Diffusive shock acceleration includes shock crossing as a necessary component. As long as the shock width is much smaller than the mean free path of a particle, the crossing is governed by the macroscopic fields inside the transition layer. The dynamics of high-energy particles in these fields is non-adiabatic and gyrophase dependent. The magnetic moment is not conserved in a wide range of shock angles, nor is the condition of reflection determined by the magnetic bottle relation. Instead, for a pitch angle and unknown gyrophase of an incident particle there is a finite probability of reflection. This probability varies between zero and unity in a wide range of pitch angles. In this work we investigate how the matching conditions at the shock front could be modified with the gyrophase dependence taken into account, e.g., in the form of the scattering probabilities.

79 ASTRONOMY AND ASTROPHYSICS↗