Nanometer scale composition study of MBE grown BGaN performed by atom probe tomography

NASA Astrophysics Data System (ADS)

Bonef, Bastien; Cramer, Richard; Speck, James S.

2017-06-01

Laser assisted atom probe tomography is used to characterize the alloy distribution in BGaN. The effect of the evaporation conditions applied on the atom probe specimens on the mass spectrum and the quantification of the III site atoms is first evaluated. The evolution of the Ga++/Ga+ charge state ratio is used to monitor the strength of the applied field. Experiments revealed that applying high electric fields on the specimen results in the loss of gallium atoms, leading to the over-estimation of boron concentration. Moreover, spatial analysis of the surface field revealed a significant loss of atoms at the center of the specimen where high fields are applied. A good agreement between X-ray diffraction and atom probe tomography concentration measurements is obtained when low fields are applied on the tip. A random distribution of boron in the BGaN layer grown by molecular beam epitaxy is obtained by performing accurate and site specific statistical distribution analysis.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ren, Xiaochen; Singh, Arunima K.; Fang, Lei

Impurity doping in two-dimensional (2D) materials can provide a route to tuning electronic properties, so it is important to be able to determine the distribution of dopant atoms within and between layers. Here we report the totnographic mapping of dopants in layered 2D materials with atomic sensitivity and subnanometer spatial resolution using atom, probe tomography (APT). Also, APT analysis shows that Ag dopes both Bi 2Se 3 and PbSe layers in (PbSe) 5(Bi 2Se 3) 3, and correlations :in the position of Ag atoms suggest a pairing across neighboring Bi 2Se 3 and PbSe layers. Finally, density functional theory (DFT)more » calculations confirm the favorability of substitutional-doping for both Pb and Bi and provide insights into the,observed spatial correlations in dopant locations.« less

The spatial distributions of large gap-like structure on Fe(Se,Te) single crystals observed by STM/STS

NASA Astrophysics Data System (ADS)

Sugimoto, Akira; Sakai, Yuta; Nagasaka, Kouhei; Ekino, Toshikazu

2015-11-01

The nanoscale spatial distributions of large gap-like structure on superconducting FeSe1-xTex were investigated by scanning tunneling microscopy/spectroscopy (STM/STS). The STM topography shows regular atomic lattice arrangements with the lattice spacing ∼0.38 nm, together with the randomly distributed large spots due to the excess Fe atoms. From the STS measurements, the small gap structures of Δ ∼ 7 meV were partly observed. On the other hand, the high-bias dI/dV curves exhibit the broad peak structures at the negative biases of VPG = -200 to -400 mV in the measured whole surface area. The average of these large gaps is |VPGave| ∼ 305 mV with the standard deviation of σ ∼ 48 mV. The spatial distributions of the VPG exhibit the domain structures consisting of the relatively smaller gaps (<250 meV), which correspond to the excess Fe positions. The small gap Δ ∼ 7 meV is also observed at those positions, suggesting that the excess Fe affects the electronic structures of FeSe1-xTex.

Spatial nonuniformity of electron energy in a microwave atmospheric-pressure microplasma

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu Liguo; Institute of Fluid Physics, China Academy of Engineering Physics, Mianyang, Sichuan 621900; Zhang Zhibo

The characteristics of the electron energy in a microwave atmospheric-pressure argon microplasma are investigated by a spatially resolved optical emission spectroscopy. By adding tiny amount of xenon (<1 ppm) as tracer gas into the argon discharge, it is found that the spatial distribution of the electrons with energy >8.3 eV is quite different from that of the electrons with energy >11.5 eV. Spatial distribution of the population ratio between 4p and 5p levels of Ar atom is also determined. Furthermore, with a collisional-radiative model, it is found that the spatial variation of this population ratio is mainly attributed to themore » spatial nonuniformity of the effective electron temperature.« less

Single-beam, dark toroidal optical traps for cold atoms

NASA Astrophysics Data System (ADS)

Fatemi, Fredrik K.; Olson, Spencer E.; Bashkansky, Mark; Dutton, Zachary; Terraciano, Matthew

2007-02-01

We demonstrate the generation of single-beam dark toroidal optical intensity distributions, which are of interest for neutral atom storage and atom interferometry. We demonstrate experimentally and numerically optical potentials that contain a ring-shaped intensity minimum, bounded in all directions by higher intensity. We use a spatial light modulator to alter the phase of an incident laser beam, and analyze the resulting optical propagation characteristics. For small toroidal traps (< 50 μm diameter), we find an optimal superposition of Laguerre-Gaussian modes that allows the formation of single-beam toroidal traps. We generate larger toroidal bottle traps by focusing hollow beams with toroidal lenses imprinted onto the spatial light modulator.

CARd-3D: Carbon Distribution in 3D Structure Program for Globular Proteins

PubMed Central

Ekambaram, Rajasekaran; Kannaiyan, Akila; Marimuthu, Vijayasarathy; Swaminathan, Vinobha Chinnaiah; Renganathan, Senthil; Perumal, Ananda Gopu

2014-01-01

Spatial arrangement of carbon in protein structure is analyzed here. Particularly, the carbon fractions around individual atoms are compared. It is hoped that it follows the principle of 31.45% carbon around individual atoms. The results reveal that globular protein's atoms follow this principle. A comparative study on monomer versus dimer reveal that carbon is better distributed in dimeric form than in its monomeric form. Similar study on solid versus liquid structures reveals that the liquid (NMR) structure has better carbon distribution over the corresponding solid (X-Ray) structure. The carbon fraction distributions in fiber and toxin protein are compared. Fiber proteins follow the principle of carbon fraction distribution. At the same time it has another broad spectrum of carbon distribution than in globular proteins. The toxin protein follows an abnormal carbon fraction distribution. The carbon fraction distribution plays an important role in deciding the structure and shape of proteins. It is hoped to help in understanding the protein folding and function. PMID:24748753

Influence of dislocations on indium diffusion in semi-polar InGaN/GaN heterostructures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yin, Yao; National Institute for Materials Science, Tsukuba, Ibaraki 305-0044; Sun, Huabin

2015-05-15

The spatial distribution of indium composition in InGaN/GaN heterostructure is a critical topic for modulating the wavelength of light emitting diodes. In this letter, semi-polar InGaN/GaN heterostructure stripes were fabricated on patterned GaN/Sapphire substrates by epitaxial lateral overgrowth (ELO), and the spatial distribution of indium composition in the InGaN layer was characterized by using cathodoluminescence. It is found that the indium composition is mainly controlled by the diffusion behaviors of metal atoms (In and Ga) on the surface. The diffusivity of metal atoms decreases sharply as migrating to the region with a high density of dislocations and other defects, whichmore » influences the distribution of indium composition evidently. Our work is beneficial for the understanding of ELO process and the further development of InGaN/GaN heterostructure based devices.« less

Vapor cell geometry effect on Rydberg atom-based microwave electric field measurement

NASA Astrophysics Data System (ADS)

Zhang, Linjie; Liu, Jiasheng; Jia, Yue; Zhang, Hao; Song, Zhenfei; Jia, Suotang

2018-03-01

The geometry effect of a vapor cell on the metrology of a microwave electric field is investigated. Based on the splitting of the electromagnetically induced transparency spectra of cesium Rydberg atoms in a vapor cell, high-resolution spatial distribution of the microwave electric field strength is achieved for both a cubic cell and a cylinder cell. The spatial distribution of the microwave field strength in two dimensions is measured with sub-wavelength resolution. The experimental results show that the shape of a vapor cell has a significant influence on the abnormal spatial distribution because of the Fabry–Pérot effect inside a vapor cell. A theoretical simulation is obtained for different vapor cell wall thicknesses and shows that a restricted wall thickness results in a measurement fluctuation smaller than 3% at the center of the vapor cell. Project supported by the National Key Research and Development Program of China (Grant Nos. 2017YFA03044200 and 2016YFF0200104), the National Natural Science Foundation of China (Grant Nos. 91536110, 61505099, and 61378013), and the Fund for Shanxi “331 Project” Key Subjects Construction, China.

Atom Probe Tomography Analysis of Ag Doping in 2D Layered Material (PbSe) 5(Bi 2Se 3) 3

DOE PAGES

Ren, Xiaochen; Singh, Arunima K.; Fang, Lei; ...

2016-09-07

Impurity doping in two-dimensional (2D) materials can provide a route to tuning electronic properties, so it is important to be able to determine the distribution of dopant atoms within and between layers. Here we report the totnographic mapping of dopants in layered 2D materials with atomic sensitivity and subnanometer spatial resolution using atom, probe tomography (APT). Also, APT analysis shows that Ag dopes both Bi 2Se 3 and PbSe layers in (PbSe) 5(Bi 2Se 3) 3, and correlations :in the position of Ag atoms suggest a pairing across neighboring Bi 2Se 3 and PbSe layers. Finally, density functional theory (DFT)more » calculations confirm the favorability of substitutional-doping for both Pb and Bi and provide insights into the,observed spatial correlations in dopant locations.« less

Exploring the Spatial and Temporal Organization of a Cell’s Proteome

PubMed Central

Beck, Martin; Topf, Maya; Frazier, Zachary; Tjong, Harianto; Xu, Min; Zhang, Shihua; Alber, Frank

2013-01-01

To increase our current understanding of cellular processes, such as cell signaling and division, knowledge is needed about the spatial and temporal organization of the proteome at different organizational levels. These levels cover a wide range of length and time scales: from the atomic structures of macromolecules for inferring their molecular function, to the quantitative description of their abundance, and distribution in the cell. Emerging new experimental technologies are greatly increasing the availability of such spatial information on the molecular organization in living cells. This review addresses three fields that have significantly contributed to our understanding of the proteome’s spatial and temporal organization: first, methods for the structure determination of individual macromolecular assemblies, specifically the fitting of atomic structures into density maps generated from electron microscopy techniques; second, research that visualizes the spatial distributions of these complexes within the cellular context using cryo electron tomography techniques combined with computational image processing; and third, methods for the spatial modeling of the dynamic organization of the proteome, specifically those methods for simulating reaction and diffusion of proteins and complexes in crowded intracellular fluids. The long-term goal is to integrate the varied data about a proteome’s organization into a spatially explicit, predictive model of cellular processes. PMID:21094684

Electronic distributions within protein phenylalanine aromatic rings are reflected by the three-dimensional oxygen atom environments.

PubMed Central

Thomas, K A; Smith, G M; Thomas, T B; Feldmann, R J

1982-01-01

The atomic environments of 170 phenylalanine-residue aromatic rings from 28 protein crystal structures are transformed into a common orientation and combined to calculate an average three-dimensional environment. The spatial distribution of atom types in this environment reveals a preferred interaction between oxygen atoms and the edge of the planar aromatic rings. From the difference in frequency of interaction of oxygen atoms with the edge and the top of the ring, an apparent net free energy difference of interaction favoring the edge of the ring is estimated to be about -1 kcal/mol (1 cal = 4.184 J). Ab initio quantum mechanical calculations, performed on a model consisting of benzene and formamide, indicate that the observed geometry is stabilized by a favorable enthalpic interaction. Although benzene rings are considered to be nonpolar, the electron distribution is a complex multipole with no net dipole moment. The observed interaction orientation frequencies demonstrate that these multipolar electron distributions, when occurring at the short distances encountered in densely packed protein molecules, are significant determinants of internal packing geometries. PMID:6956896

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hoth, Gregory W., E-mail: gregory.hoth@nist.gov; Pelle, Bruno; Riedl, Stefan

We demonstrate a two axis gyroscope by the use of light pulse atom interferometry with an expanding cloud of atoms in the regime where the cloud has expanded by 1.1–5 times its initial size during the interrogation. Rotations are measured by analyzing spatial fringe patterns in the atom population obtained by imaging the final cloud. The fringes arise from a correlation between an atom's initial velocity and its final position. This correlation is naturally created by the expansion of the cloud, but it also depends on the initial atomic distribution. We show that the frequency and contrast of these spatialmore » fringes depend on the details of the initial distribution and develop an analytical model to explain this dependence. We also discuss several challenges that must be overcome to realize a high-performance gyroscope with this technique.« less

Theoretical overview and modeling of the sodium and potassium atmospheres of the moon

NASA Technical Reports Server (NTRS)

Smyth, William H.; Marconi, M. L.

1995-01-01

A general theoretical overview for the sources, sinks, gas-surface interactions, and transport dynamics of sodium and potassium in the exospheric atmosphere of the Moon is given. These four factors, which control the spatial distribution of these two alkali-group gases about the Moon, are incorporated in numerical models. The spatial nature and relative importance of the initial source atoms atmosphere (which must be nonthermal to explain observational data) and the ambient (ballistic hopping) atom atmosphere are examined. The transport dynamics, atmospheric structure, and lunar escape of the nonthermal source atoms are time variable with season of the year and lunar phase because of their dependence on the radiation acceleration experienced by sodium and potassium atoms as they resonantly scatter solar photons. The dynamic transport time of fully thermally accomodated ambient atoms along the surface because of solar radiation acceleration (only several percent of surface gravity) is larger than the photoionization lifetimes and hence unimportant in determining the local density, although for potassium the situation is borderline. The sodium model was applied to analyze sodium observations of the sunward brightness profiles acquired near last quarter by Potter & Morgan (1988b) extending from the surface to an altitude of 1200 km, and near first quarter by Mendillo, Baumgardner, & Flynn (1991), extending in altitude from approximately 1430 to approximately 7000 km. The observations at larger altitudes could be fitted only for source atoms having a velocity distribution with a tail that is mildly nonthermal (like an approximately 1000 K Maxwell-Boltzmann distribution). Solar wind sputtering appears to a be a viable source atom mechanism for the sodium observations with photon-simulated desorption also possible but highly uncertain, although micrometeoroid impact vaporization appears to have a source that is too small and too hot, with likely an incorrect angular distribution about the Moon.

The spatial coherence function in scanning transmission electron microscopy and spectroscopy.

PubMed

Nguyen, D T; Findlay, S D; Etheridge, J

2014-11-01

We investigate the implications of the form of the spatial coherence function, also referred to as the effective source distribution, for quantitative analysis in scanning transmission electron microscopy, and in particular for interpreting the spatial origin of imaging and spectroscopy signals. These questions are explored using three different source distribution models applied to a GaAs crystal case study. The shape of the effective source distribution was found to have a strong influence not only on the scanning transmission electron microscopy (STEM) image contrast, but also on the distribution of the scattered electron wavefield and hence on the spatial origin of the detected electron intensities. The implications this has for measuring structure, composition and bonding at atomic resolution via annular dark field, X-ray and electron energy loss STEM imaging are discussed. Copyright © 2014 Elsevier B.V. All rights reserved.

Two-photon laser-induced fluorescence of atomic hydrogen in a diamond-depositing dc arcjet.

PubMed

Juchmann, Wolfgang; Luque, Jorge; Jeffries, Jay B

2005-11-01

Atomic hydrogen in the plume of a dc-arcjet plasma is monitored by use of two-photon excited laser-induced fluorescence (LIF) during the deposition of diamond film. The effluent of a dc-arc discharge in hydrogen and argon forms a luminous plume as it flows through a converging-diverging nozzle into a reactor. When a trace of methane (< 2%) is added to the flow in the diverging part of the nozzle, diamond thin film grows on a water-cooled molybdenum substrate from the reactive mixture. LIF of atomic hydrogen in the arcjet plume is excited to the 3S and 3D levels with two photons near 205 nm, and the subsequent fluorescence is observed at Balmer-alpha near 656 nm. Spatially resolved LIF measurements of atomic hydrogen are made as a function of the ratio of hydrogen to argon feedstock gas, methane addition, and reactor pressure. At lower reactor pressures, time-resolved LIF measurements are used to verify our collisional quenching correction algorithm. The quenching rate coefficients for collisions with the major species in the arcjet (Ar, H, and H2) do not change with gas temperature variations in the plume (T < 2300 K). Corrections of the LIF intensity measurements for the spatial variation of collisional quenching are important to determine relative distributions of the atomic hydrogen concentration. The relative atomic hydrogen concentrations measured here are calibrated with an earlier calorimetric determination of the feedstock hydrogen dissociation to provide quantitative hydrogen-atom concentration distributions.

Spatial Quantum Beats in Vibrational Resonant Inelastic Soft X-Ray Scattering at Dissociating States in Oxygen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pietzsch, A.; Kennedy, B.; Sun, Y.-P.

2011-04-15

Resonant inelastic soft x-ray scattering (RIXS) spectra excited at the 1{sigma}{sub g}{yields}3{sigma}{sub u} resonance in gas-phase O{sub 2} show excitations due to the nuclear degrees of freedom with up to 35 well-resolved discrete vibronic states and a continuum due to the kinetic energy distribution of the separated atoms. The RIXS profile demonstrates spatial quantum beats caused by two interfering wave packets with different momenta as the atoms separate. Thomson scattering strongly affects both the spectral profile and the scattering anisotropy.

Hydrodynamic stability and Ti-tracer distribution in low-adiabat OMEGA direct-drive implosions

NASA Astrophysics Data System (ADS)

Joshi, Tirtha R.

We discuss the hydrodynamic stability of low-adiabat OMEGA direct-drive implosions based on results obtained from simultaneous emission and absorption spectroscopy of a titanium tracer added to the target. The targets were deuterium filled, warm plastic shells of varying thicknesses and filling gas pressures with a submicron Ti-doped tracer layer initially located on the inner surface of the shell. The spectral features from the titanium tracer are observed during the deceleration and stagnation phases of the implosion, and recorded with a time integrated spectrometer (XRS1), streaked crystal spectrometer (SSCA) and three gated, multi-monochromatic X-ray imager (MMI) instruments fielded along quasi-orthogonal lines-of-sight. The time-integrated, streaked and gated data show simultaneous emission and absorption spectral features associated with titanium K-shell line transitions but only the MMI data provides spatially resolved information. The arrays of gated spectrally resolved images recorded with MMI were processed to obtain spatially resolved spectra characteristic of annular contour regions on the image. A multi-zone spectroscopic analysis of the annular spatially resolved spectra permits the extraction of plasma conditions in the core as well as the spatial distribution of tracer atoms. In turn, the titanium atom distribution provides direct evidence of tracer penetration into the core and thus of the hydrodynamic stability of the shell. The observations, timing and analysis indicate that during fuel burning the titanium atoms have migrated deep into the core and thus shell material mixing is likely to impact the rate of nuclear fusion reactions, i.e. burning rate, and the neutron yield of the implosion. We have found that the Ti atom number density decreases towards the center in early deceleration phase, but later in time the trend is just opposite, i.e., it increases towards the center of the implosion core. This is in part a consequence of the convergent effect of spherical geometry. The spatial profiles of Ti areal densities in the implosion core are extracted from space-resolved spectra and also evaluated using 1D spherical scaling. The trends are similar to the Ti number density spatial profiles. The areal densities extracted from data and 1D spherical scaling are very comparable in the outer spherical zones of the implosion core but significantly deviate in the innermost zone. We have observed that approximately 85% of the Ti atoms migrate into the hot core, while 15% of the atoms are still on the shell-fuel interface and contributing to the absorption. In addition, a method to extract the hot spot size based on the formation of the absorption feature in a sequence of annular spectra will be discussed. Results and trends are discussed as a function of target shell thickness and filling pressure, and laser pulse shape.

On Both Spatial And Velocity Distribution Of Sputtered Particles In Magnetron Discharge

NASA Astrophysics Data System (ADS)

Vitelaru, C.; Pohoata, V.; Tiron, V.; Costin, C.; Popa, G.

2012-12-01

The kinetics of the sputtered atoms from the metallic target as well as the time-space distribution of the argon metastable atoms have been investigated for DC and high power pulse magnetron discharge by means of Tunable Diode - Laser Absorption Spectroscopy (TD-LAS) and Tunable Diode - Laser Induced Fluorescence (TD-LIF). The discharge was operated in argon (5-30 mTorr) with two different targets, tungsten and aluminum, for pulses of 1 to 20 μs, at frequencies of 0.2 to 1 kHz. Peak current intensity of ~100 A has been attained at cathode peak voltage of ~1 kV. The mean velocity distribution functions and particle fluxes of the sputtered metal atoms, in parallel and perpendicular direction to the target, have been obtained and compared for DC and pulse mode.

Dielectrophoretic immobilization of proteins: Quantification by atomic force microscopy.

PubMed

Laux, Eva-Maria; Knigge, Xenia; Bier, Frank F; Wenger, Christian; Hölzel, Ralph

2015-09-01

The combination of alternating electric fields with nanometer-sized electrodes allows the permanent immobilization of proteins by dielectrophoretic force. Here, atomic force microscopy is introduced as a quantification method, and results are compared with fluorescence microscopy. Experimental parameters, for example the applied voltage and duration of field application, are varied systematically, and the influence on the amount of immobilized proteins is investigated. A linear correlation to the duration of field application was found by atomic force microscopy, and both microscopical methods yield a square dependence of the amount of immobilized proteins on the applied voltage. While fluorescence microscopy allows real-time imaging, atomic force microscopy reveals immobilized proteins obscured in fluorescence images due to low S/N. Furthermore, the higher spatial resolution of the atomic force microscope enables the visualization of the protein distribution on single nanoelectrodes. The electric field distribution is calculated and compared to experimental results with very good agreement to atomic force microscopy measurements. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Atomistics of Ge deposition on Si(100) by atomic layer epitaxy.

PubMed

Lin, D S; Wu, J L; Pan, S Y; Chiang, T C

2003-01-31

Chlorine termination of mixed Ge/Si(100) surfaces substantially enhances the contrast between Ge and Si sites in scanning tunneling microscopy observations. This finding enables a detailed investigation of the spatial distribution of Ge atoms deposited on Si(100) by atomic layer epitaxy. The results are corroborated by photoemission measurements aided by an unusually large chemical shift between Cl adsorbed on Si and Ge. Adsorbate-substrate atomic exchange during growth is shown to be important. The resulting interface is thus graded, but characterized by a very short length scale of about one monolayer.

Radial and azimuthal distribution of Io's oxygen neutral cloud observed by Hisaki/EXCEED

NASA Astrophysics Data System (ADS)

Koga, R.; Tsuchiya, F.; Kagitani, M.; Sakanoi, T.; Yoneda, M.; Yoshikawa, I.; Yoshioka, K.; Murakami, G.; Yamazaki, A.; Kimura, T.; Smith, H. T.

2017-12-01

We report the spatial distributions of oxygen neural cloud surrounding Jupiter's moon Io and along Io's orbit observed by the HISAKI satellite. Atomic oxygen and sulfur in Io's atmosphere escape from the exobase and move to corona (< 5.8 Io radii, the boundary where Jupiter's gravity begins to dominate) and neutral clouds (> 5.8 Io radii) mainly due to atmospheric sputtering. Io plasma torus is formed by ionization of these atoms by electron impact and charge exchange processes. It is essential to examine the dominant source of Io plasma torus, particularly in the vicinity of Io (<5.8 Io radii; atmosphere and corona) or the region away from Io (>5.8 Io radii; extended neutral clouds). The spatial distribution of oxygen and sulfur neutral clouds is important to understand the source. The extreme ultraviolet spectrometer called EXCEED (Extreme Ultraviolet Spectroscope for Exospheric Dynamics) installed on the Hisaki satellite observed Io plasma torus continuously in 2014-2015, and we carried out the monitoring of the distribution of atomic oxygen emission at 130.4 nm. The emission averaged over the distance range of 4.5-6.5 Jovian radii on the dawn and dusk sides strongly depends on the Io phase angle (IPA), and has a emission peak between IPA of 60-90 degrees on the dawn side, and between 240-270 degrees on the dusk side, respectively. It also shows the asymmetry with respect to Io's position: the intensity averaged for IPA 60-90 degrees (13.3 Rayleighs (R)) is 1.2 times greater than that for IPA 90-120 degrees (11.1 R) on the dawn side. The similar tendency is found on the dusk side. Weak atomic oxygen emission (4 R) uniformly distributes in every IPA. We also examined the radial distribution of the oxygen neutral cloud during the same period and found the emission peak near Io's orbit with decreasing the intensity toward 8.0 Jupiter radii. The results show the high density component of the oxygen neutral cloud is concentrated around Io and extends mainly toward leading side of Io. In addition, the low density neutrals uniformly exist along Io's orbit. Both components extend radially outward up to 8 Jovian radii with decreasing the density. In the presentation, we give the estimation of spatial distribution of oxygen neutral density and the oxygen ion source rate in the Io plasma torus.

Related Structure Characters and Stability of Structural Defects in a Metallic Glass

PubMed Central

Niu, Xiaofeng; Feng, Shidong; Pan, Shaopeng

2018-01-01

Structural defects were investigated by a recently proposed structural parameter, quasi-nearest atom (QNA), in a modeled Zr50Cu50 metallic glass through molecular dynamics simulations. More QNAs around an atom usually means that more defects are located near the atom. Structural analysis reveals that the spatial distribution of the numbers of QNAs displays to be clearly heterogeneous. Furthermore, QNA is closely correlated with cluster connections, especially four-atom cluster connections. Atoms with larger coordination numbers usually have less QNAs. When two atoms have the same coordination number, the atom with larger five-fold symmetry has less QNAs. The number of QNAs around an atom changes rather frequently and the change of QNAs might be correlated with the fast relaxation metallic glasses. PMID:29565298

Local carrier distribution imaging on few-layer MoS2 exfoliated on SiO2 by scanning nonlinear dielectric microscopy

NASA Astrophysics Data System (ADS)

Yamasue, Kohei; Cho, Yasuo

2018-06-01

We demonstrate that scanning nonlinear dielectric microscopy (SNDM) can be used for the nanoscale characterization of dominant carrier distribution on atomically thin MoS2 mechanically exfoliated on SiO2. For stable imaging without damaging microscopy tips and samples, SNDM was combined with peak-force tapping mode atomic force microscopy. The identification of dominant carriers and their spatial distribution becomes possible even for single and few-layer MoS2 on SiO2 using the proposed method allowing differential capacitance (dC/dV) imaging. We can expect that SNDM can also be applied to the evaluation of other two-dimensional semiconductors and devices.

Spatial distribution of filament elasticity determines the migratory behaviors of a cell

PubMed Central

Harn, Hans I-Chen; Hsu, Chao-Kai; Wang, Yang-Kao; Huang, Yi-Wei; Chiu, Wen-Tai; Lin, Hsi-Hui; Cheng, Chao-Min; Tang, Ming-Jer

2016-01-01

ABSTRACT Any cellular response leading to morphological changes is highly tuned to balance the force generated from structural reorganization, provided by actin cytoskeleton. Actin filaments serve as the backbone of intracellular force, and transduce external mechanical signal via focal adhesion complex into the cell. During migration, cells not only undergo molecular changes but also rapid mechanical modulation. Here we focus on determining, the role of spatial distribution of mechanical changes of actin filaments in epithelial, mesenchymal, fibrotic and cancer cells with non-migration, directional migration, and non-directional migration behaviors using the atomic force microscopy. We found 1) non-migratory cells only generated one type of filament elasticity, 2) cells generating spatially distributed two types of filament elasticity showed directional migration, and 3) pathologic cells that autonomously generated two types of filament elasticity without spatial distribution were actively migrating non-directionally. The demonstration of spatial regulation of filament elasticity of different cell types at the nano-scale highlights the coupling of cytoskeletal function with physical characters at the sub-cellular level, and provides new research directions for migration related disease. PMID:26919488

Outer satellite atmospheres: Their nature and planetary interactions

NASA Technical Reports Server (NTRS)

Smyth, W. H.; Combi, M. R.

1984-01-01

Significant insights regarding the nature and interactions of Io and the planetary magnetosphere were gained through modeling studies of the spatial morphology and brightness of the Io sodium cloud. East-west intensity asymmetries in Region A are consistent with an east-west electric field and the offset of the magnetic and planetary-spin axes. East-west orbital asymmetries and the absolute brightness of Region B suggest a low-velocity (3 km/sec) satellite source of 1 to 2 x 10(26) sodium atoms/sec. The time-varying spatial structure of the sodium directional features in near Region C provides direct evidence for a magnetospheric-wind-driven escape mechanism with a high-velocity (20 km/sec) source of 1 x 10(26) atoms/sec and a flux distribution enhanced at the equator relative to the poles. A model for the Io potassium cloud is presented and analysis of data suggests a low velocity source rate of 5 x 10(24) atoms/sec. To understand the role of Titan and non-Titan sources for H atoms in the Saturn system, the lifetime of hydrogen in the planetary magnetosphere was incorporated into the earlier Titan torus model of Smyth (1981) and its expected impact discussed. A particle trajectory model for cometary hydrogen is presented and applied to the Lyman-alpha distribution of Comet Kohoutek (1973XII).

Spectral asymmetry of atoms in the van der Waals potential of an optical nanofiber

NASA Astrophysics Data System (ADS)

Patterson, B. D.; Solano, P.; Julienne, P. S.; Orozco, L. A.; Rolston, S. L.

2018-03-01

We measure the modification of the transmission spectra of cold 87Rb atoms in the proximity of an optical nanofiber (ONF). Van der Waals interactions between the atoms an the ONF surface decrease the resonance frequency of atoms closer to the surface. An asymmetric spectra of the atoms holds information of their spatial distribution around the ONF. We use a far-detuned laser beam coupled to the ONF to thermally excite atoms at the ONF surface. We study the change of transmission spectrum of these atoms as a function of heating laser power. A semiclassical phenomenological model for the thermal excitation of atoms in the atom-surface van der Waals bound states is in good agreement with the measurements. This result suggests that van der Waals potentials could be used to trap and probe atoms at few nanometers from a dielectric surface, a key tool for hybrid photonic-atomic quantum systems.

Monte Carlo simulation of a cesium atom beam in a magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen, Jiang, E-mail: chernjiang@aliyun.com; Zhu, Hongwei; Ma, Yinguang

2015-03-07

We present Monte Carlo simulations of the deflection of a beam of {sup 133}Cs atoms in a two wire magnetic field. Our results reveal the relationship between transmission rate of the atoms and incident parameters. Incident angle and position of the beam with maximum transmission are obtained from the simulations. The effect of the deflection field on the spatial distribution (beam profile) of {sup 133}Cs is derived. The method will help with the design of magnetic deflection experiments and to extract the magnetic properties from such experiments.

Effects of gas liquid ratio on the atomization characteristics of gas-liquid swirl coaxial injectors

NASA Astrophysics Data System (ADS)

Kang, Zhongtao; Li, Qinglian; Zhang, Jiaqi; Cheng, Peng

2018-05-01

To understand the atomization characteristics and atomization mechanism of the gas-liquid swirl coaxial (GLSC) injector, a back-lighting photography technique has been employed to capture the instantaneous spray images with a high speed camera. The diameter and velocity of the droplets in the spray have been characterized with a Dantec Phase Doppler Anemometry (PDA) system. The effects of gas liquid ratio (GLR) on the spray pattern, Sauter mean diameter (SMD), diameter-velocity distribution and mass flow rate distribution were analyzed and discussed. The results show that the atomization of the GLSC injector is dominated by the film breakup when the GLR is small, and violent gas-liquid interaction when the GLR is large enough. The film breakup dominated spray can be divided into gas acceleration region and film breakup region while the violent gas-liquid interaction dominated spray can be divided into the gas acceleration region, violent gas-liquid interaction region and big droplets breakup region. The atomization characteristics of the GLSC injector is significantly influenced by the GLR. From the point of atomization performance, the increase of GLR has positive effects. It decreases the global Sauter mean diameter (GSMD) and varies the SMD distribution from a hollow cone shape (GLR = 0) to an inverted V shape, and finally slanted N shape. However, from the point of spatial distribution, the increase of GLR has negative effects, because the mass flow rate distribution becomes more nonuniform.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Taylor, Sandra D.; Liu, Jia; Arey, Bruce W.

The distribution of iron resulting from the autocatalytic interaction of aqueous Fe(II) with the hematite (001) surface was directly mapped in three dimensions (3D) for the first time, using iron isotopic labelling and atom probe tomography (APT). Analyses of the mass spectrum showed that natural abundance ratios in 56Fe-dominant hematite are recovered at depth with good accuracy, whereas at the relict interface with 57Fe(II) solution evidence for hematite growth by oxidative adsorption of Fe(II) was found. 3D reconstructions of the isotope positions along the surface normal direction showed a zone enriched in 57Fe, which was consistent with an average netmore » adsorption of 3.2 – 4.3 57Fe atoms nm–2. Statistical analyses utilizing grid-based frequency distribution analyses show a heterogeneous, non-random distribution of oxidized Fe on the (001) surface, consistent with Volmer-Weber-like island growth. The unique 3D nature of the APT data provides an unprecedented means to quantify the atomic-scale distribution of sorbed 57Fe atoms and the extent of segregation on the hematite surface. This new ability to spatially map growth on single crystal faces at the atomic scale will enable resolution to long-standing unanswered questions about the underlying mechanisms for electron and atom exchange involved in a wide variety of redox-catalyzed processes at this archetypal and broadly relevant interface.« less

Observation of coherent backscattering of light in ultracold ^85Rb

NASA Astrophysics Data System (ADS)

Kulatunga, P.; Sukenik, C. I.; Havey, M. D.; Kupriyanov, D. V.; Sokolov, I. M.

2002-05-01

We report investigation of multiple coherent light scattering from ^85Rb atoms confined in a magneto-optic trap. In experimental studies, measurements are made of coherent backscattering of a low-intensity probe beam tuned near the F = 3 - F' = 4 transition in ^85Rb atoms. Polarization of backscattered light is determined by a backscattering polarimeter; the spatial distribution of light intensity is measured by a liquid-nitrogen cooled CCD camera set in the focal plane of the analyzing optics. The instrument has angular resolution of about 100 micro-radians, and a polarization analyzing power of roughly 1000. In this paper we describe the instrument details, including calibration procedures, and our measurements of atomic coherent backscattering. In a theoretical study of intensity enhancement of near-resonant backscattered light from cold ^85,87Rb atoms, we consider scattering orders up to 8 and a Gaussian atom distribution in the MOT. Enhancement factors are calculated for all D1 and D2 hyperfine components and for both isotopes.

Point process statistics in atom probe tomography.

PubMed

Philippe, T; Duguay, S; Grancher, G; Blavette, D

2013-09-01

We present a review of spatial point processes as statistical models that we have designed for the analysis and treatment of atom probe tomography (APT) data. As a major advantage, these methods do not require sampling. The mean distance to nearest neighbour is an attractive approach to exhibit a non-random atomic distribution. A χ(2) test based on distance distributions to nearest neighbour has been developed to detect deviation from randomness. Best-fit methods based on first nearest neighbour distance (1 NN method) and pair correlation function are presented and compared to assess the chemical composition of tiny clusters. Delaunay tessellation for cluster selection has been also illustrated. These statistical tools have been applied to APT experiments on microelectronics materials. Copyright © 2012 Elsevier B.V. All rights reserved.

Spatial entanglement patterns and Einstein-Podolsky-Rosen steering in Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Fadel, Matteo; Zibold, Tilman; Décamps, Boris; Treutlein, Philipp

2018-04-01

Many-particle entanglement is a fundamental concept of quantum physics that still presents conceptual challenges. Although nonclassical states of atomic ensembles were used to enhance measurement precision in quantum metrology, the notion of entanglement in these systems was debated because the correlations among the indistinguishable atoms were witnessed by collective measurements only. Here, we use high-resolution imaging to directly measure the spin correlations between spatially separated parts of a spin-squeezed Bose-Einstein condensate. We observe entanglement that is strong enough for Einstein-Podolsky-Rosen steering: We can predict measurement outcomes for noncommuting observables in one spatial region on the basis of corresponding measurements in another region with an inferred uncertainty product below the Heisenberg uncertainty bound. This method could be exploited for entanglement-enhanced imaging of electromagnetic field distributions and quantum information tasks.

Single-photon-level quantum image memory based on cold atomic ensembles

PubMed Central

Ding, Dong-Sheng; Zhou, Zhi-Yuan; Shi, Bao-Sen; Guo, Guang-Can

2013-01-01

A quantum memory is a key component for quantum networks, which will enable the distribution of quantum information. Its successful development requires storage of single-photon light. Encoding photons with spatial shape through higher-dimensional states significantly increases their information-carrying capability and network capacity. However, constructing such quantum memories is challenging. Here we report the first experimental realization of a true single-photon-carrying orbital angular momentum stored via electromagnetically induced transparency in a cold atomic ensemble. Our experiments show that the non-classical pair correlation between trigger photon and retrieved photon is retained, and the spatial structure of input and retrieved photons exhibits strong similarity. More importantly, we demonstrate that single-photon coherence is preserved during storage. The ability to store spatial structure at the single-photon level opens the possibility for high-dimensional quantum memories. PMID:24084711

Microscale Effects from Global Hot Plasma Imagery

NASA Technical Reports Server (NTRS)

Moore, T. E.; Fok, M.-C.; Perez, J. D.; Keady, J. P.

1995-01-01

We have used a three-dimensional model of recovery phase storm hot plasmas to explore the signatures of pitch angle distributions (PADS) in global fast atom imagery of the magnetosphere. The model computes mass, energy, and position-dependent PADs based on drift effects, charge exchange losses, and Coulomb drag. The hot plasma PAD strongly influences both the storm current system carried by the hot plasma and its time evolution. In turn, the PAD is strongly influenced by plasma waves through pitch angle diffusion, a microscale effect. We report the first simulated neutral atom images that account for anisotropic PADs within the hot plasma. They exhibit spatial distribution features that correspond directly to the PADs along the lines of sight. We investigate the use of image brightness distributions along tangent-shell field lines to infer equatorial PADS. In tangent-shell regions with minimal spatial gradients, reasonably accurate PADs are inferred from simulated images. They demonstrate the importance of modeling PADs for image inversion and show that comparisons of models with real storm plasma images will reveal the global effects of these microscale processes.

MESSENGER observations of Mercury's exosphere: detection of magnesium and distribution of constituents.

PubMed

McClintock, William E; Vervack, Ronald J; Bradley, E Todd; Killen, Rosemary M; Mouawad, Nelly; Sprague, Ann L; Burger, Matthew H; Solomon, Sean C; Izenberg, Noam R

2009-05-01

Mercury is surrounded by a tenuous exosphere that is supplied primarily by the planet's surface materials and is known to contain sodium, potassium, and calcium. Observations by the Mercury Atmospheric and Surface Composition Spectrometer during MESSENGER's second Mercury flyby revealed the presence of neutral magnesium in the tail (anti-sunward) region of the exosphere, as well as differing spatial distributions of magnesium, calcium, and sodium atoms in both the tail and the nightside, near-planet exosphere. Analysis of these observations, supplemented by observations during the first Mercury flyby, as well as those by other MESSENGER instruments, suggests that the distinct spatial distributions arise from a combination of differences in source, transfer, and loss processes.

Establishing and storing of deterministic quantum entanglement among three distant atomic ensembles.

PubMed

Yan, Zhihui; Wu, Liang; Jia, Xiaojun; Liu, Yanhong; Deng, Ruijie; Li, Shujing; Wang, Hai; Xie, Changde; Peng, Kunchi

2017-09-28

It is crucial for the physical realization of quantum information networks to first establish entanglement among multiple space-separated quantum memories and then, at a user-controlled moment, to transfer the stored entanglement to quantum channels for distribution and conveyance of information. Here we present an experimental demonstration on generation, storage, and transfer of deterministic quantum entanglement among three spatially separated atomic ensembles. The off-line prepared multipartite entanglement of optical modes is mapped into three distant atomic ensembles to establish entanglement of atomic spin waves via electromagnetically induced transparency light-matter interaction. Then the stored atomic entanglement is transferred into a tripartite quadrature entangled state of light, which is space-separated and can be dynamically allocated to three quantum channels for conveying quantum information. The existence of entanglement among three released optical modes verifies that the system has the capacity to preserve multipartite entanglement. The presented protocol can be directly extended to larger quantum networks with more nodes.Continuous-variable encoding is a promising approach for quantum information and communication networks. Here, the authors show how to map entanglement from three spatial optical modes to three separated atomic samples via electromagnetically induced transparency, releasing it later on demand.

Definition of the Spatial Resolution of X-Ray Microanalysis in Thin Foils

NASA Technical Reports Server (NTRS)

Williams, D. B.; Michael, J. R.; Goldstein, J. I.; Romig, A. D., Jr.

1992-01-01

The spatial resolution of X-ray microanalysis in thin foils is defined in terms of the incident electron beam diameter and the average beam broadening. The beam diameter is defined as the full width tenth maximum of a Gaussian intensity distribution. The spatial resolution is calculated by a convolution of the beam diameter and the average beam broadening. This definition of the spatial resolution can be related simply to experimental measurements of composition profiles across interphase interfaces. Monte Carlo calculations using a high-speed parallel supercomputer show good agreement with this definition of the spatial resolution and calculations based on this definition. The agreement is good over a range of specimen thicknesses and atomic number, but is poor when excessive beam tailing distorts the assumed Gaussian electron intensity distributions. Beam tailing occurs in low-Z materials because of fast secondary electrons and in high-Z materials because of plural scattering.

Fusion of multichannel local and global structural cues for photo aesthetics evaluation.

PubMed

Luming Zhang; Yue Gao; Zimmermann, Roger; Qi Tian; Xuelong Li

2014-03-01

Photo aesthetic quality evaluation is a fundamental yet under addressed task in computer vision and image processing fields. Conventional approaches are frustrated by the following two drawbacks. First, both the local and global spatial arrangements of image regions play an important role in photo aesthetics. However, existing rules, e.g., visual balance, heuristically define which spatial distribution among the salient regions of a photo is aesthetically pleasing. Second, it is difficult to adjust visual cues from multiple channels automatically in photo aesthetics assessment. To solve these problems, we propose a new photo aesthetics evaluation framework, focusing on learning the image descriptors that characterize local and global structural aesthetics from multiple visual channels. In particular, to describe the spatial structure of the image local regions, we construct graphlets small-sized connected graphs by connecting spatially adjacent atomic regions. Since spatially adjacent graphlets distribute closely in their feature space, we project them onto a manifold and subsequently propose an embedding algorithm. The embedding algorithm encodes the photo global spatial layout into graphlets. Simultaneously, the importance of graphlets from multiple visual channels are dynamically adjusted. Finally, these post-embedding graphlets are integrated for photo aesthetics evaluation using a probabilistic model. Experimental results show that: 1) the visualized graphlets explicitly capture the aesthetically arranged atomic regions; 2) the proposed approach generalizes and improves four prominent aesthetic rules; and 3) our approach significantly outperforms state-of-the-art algorithms in photo aesthetics prediction.

Using Common Spatial Distributions of Atoms to Relate Functionally Divergent Influenza Virus N10 and N11 Protein Structures to Functionally Characterized Neuraminidase Structures, Toxin Cell Entry Domains, and Non-Influenza Virus Cell Entry Domains

PubMed Central

Weininger, Arthur; Weininger, Susan

2015-01-01

The ability to identify the functional correlates of structural and sequence variation in proteins is a critical capability. We related structures of influenza A N10 and N11 proteins that have no established function to structures of proteins with known function by identifying spatially conserved atoms. We identified atoms with common distributed spatial occupancy in PDB structures of N10 protein, N11 protein, an influenza A neuraminidase, an influenza B neuraminidase, and a bacterial neuraminidase. By superposing these spatially conserved atoms, we aligned the structures and associated molecules. We report spatially and sequence invariant residues in the aligned structures. Spatially invariant residues in the N6 and influenza B neuraminidase active sites were found in previously unidentified spatially equivalent sites in the N10 and N11 proteins. We found the corresponding secondary and tertiary structures of the aligned proteins to be largely identical despite significant sequence divergence. We found structural precedent in known non-neuraminidase structures for residues exhibiting structural and sequence divergence in the aligned structures. In N10 protein, we identified staphylococcal enterotoxin I-like domains. In N11 protein, we identified hepatitis E E2S-like domains, SARS spike protein-like domains, and toxin components shared by alpha-bungarotoxin, staphylococcal enterotoxin I, anthrax lethal factor, clostridium botulinum neurotoxin, and clostridium tetanus toxin. The presence of active site components common to the N6, influenza B, and S. pneumoniae neuraminidases in the N10 and N11 proteins, combined with the absence of apparent neuraminidase function, suggests that the role of neuraminidases in H17N10 and H18N11 emerging influenza A viruses may have changed. The presentation of E2S-like, SARS spike protein-like, or toxin-like domains by the N10 and N11 proteins in these emerging viruses may indicate that H17N10 and H18N11 sialidase-facilitated cell entry has been supplemented or replaced by sialidase-independent receptor binding to an expanded cell population that may include neurons and T-cells. PMID:25706124

Fullerene-Based Symmetry in Hibiscus rosa-sinensis Pollen

PubMed Central

Andrade, Kleber; Guerra, Sara; Debut, Alexis

2014-01-01

The fullerene molecule belongs to the so-called super materials. The compound is interesting due to its spherical configuration where atoms occupy positions forming a mechanically stable structure. We first demonstrate that pollen of Hibiscus rosa-sinensis has a strong symmetry regarding the distribution of its spines over the spherical grain. These spines form spherical hexagons and pentagons. The distance between atoms in fullerene is explained applying principles of flat, spherical, and spatial geometry, based on Euclid’s “Elements” book, as well as logic algorithms. Measurements of the pollen grain take into account that the true spine lengths, and consequently the real distances between them, are measured to the periphery of each grain. Algorithms are developed to recover the spatial effects lost in 2D photos. There is a clear correspondence between the position of atoms in the fullerene molecule and the position of spines in the pollen grain. In the fullerene the separation gives the idea of equal length bonds which implies perfectly distributed electron clouds while in the pollen grain we suggest that the spines being equally spaced carry an electrical charge originating in forces involved in the pollination process. PMID:25003375

Real-space measurement of potential distribution in PECVD ONO electrets by Kelvin probe force microscopy.

PubMed

Emmerich, F; Thielemann, C

2016-05-20

Multilayers of silicon oxide/silicon nitride/silicon oxide (ONO) are known for their good electret properties due to deep energy traps near the material interfaces, facilitating charge storage. However, measurement of the space charge distribution in such multilayers is a challenge for conventional methods if layer thickness dimensions shrink below 1 μm. In this paper, we propose an atomic force microscope based method to determine charge distributions in ONO layers with spatial resolution below 100 nm. By applying Kelvin probe force microscopy (KPFM) on freshly cleaved, corona-charged multilayers, the surface potential is measured directly along the z-axis and across the interfaces. This new method gives insights into charge distribution and charge movement in inorganic electrets with a high spatial resolution.

Atomic and molecular physics in the gas phase

NASA Astrophysics Data System (ADS)

Toburen, L. H.

1990-09-01

The spatial and temporal distributions of energy deposition by high-linear-energy-transfer radiation play an important role in the subsequent chemical and biological processes leading to radiation damage. Because the spatial structures of energy deposition events are of the same dimensions as molecular structures in the mammalian cell, direct measurements of energy deposition distributions appropriate to radiation biology are infeasible. This has led to the development of models of energy transport based on a knowledge of atomic and molecular interactions process that enable one to simulate energy transfer on an atomic scale. Such models require a detailed understanding of the interactions of ions and electrons with biologically relevant material. During the past 20 years there has been a great deal of progress in our understanding of these interactions; much of it coming from studies in the gas phase. These studies provide information on the systematics of interaction cross sections leading to a knowledge of the regions of energy deposition where molecular and phase effects are important and that guide developments in appropriate theory. In this report studies of the doubly differential cross sections, crucial to the development of stochastic energy deposition calculations and track structure simulation, will be reviewed. Areas of understanding are discussed and directions for future work addressed. Particular attention is given to experimental and theoretical findings that have changed the traditional view of secondary electron production for charged particle interactions with atomic and molecular targets.

Plenoptic Imaging of a Three Dimensional Cold Atom Cloud

NASA Astrophysics Data System (ADS)

Lott, Gordon

2017-04-01

A plenoptic imaging system is capable of sampling the rays of light in a volume, both spatially and angularly, providing information about the three dimensional (3D) volume being imaged. The extraction of the 3D structure of a cold atom cloud is demonstrated, using a single plenoptic camera and a single image. The reconstruction is tested against a reference image and the results discussed along with the capabilities and limitations of the imaging system. This capability is useful when the 3D distribution of the atoms is desired, such as determining the shape of an atom trap, particularly when there is limited optical access. Gratefully acknowledge support from AFRL.

Atomic-level spatial distributions of dopants on silicon surfaces: toward a microscopic understanding of surface chemical reactivity

NASA Astrophysics Data System (ADS)

Hamers, Robert J.; Wang, Yajun; Shan, Jun

1996-11-01

We have investigated the interaction of phosphine (PH 3) and diborane (B 2H 6) with the Si(001) surface using scanning tunneling microscopy, infrared spectroscopy, and ab initio molecular orbital calculations. Experiment and theory show that the formation of PSi heterodimers is energetically favorable compared with formation of PP dimers. The stability of the heterodimers arises from a large strain energy associated with formation of PP dimers. At moderate P coverages, the formation of PSi heterodimers leaves the surface with few locations where there are two adjacent reactive sites. This in turn modifies the chemical reactivity toward species such as PH 3, which require only one site to adsorb but require two adjacent sites to dissociate. Boron on Si(001) strongly segregates into localized regions of high boron concentration, separated by large regions of clean Si. This leads to a spatially-modulated chemical reactivity which during subsequent growth by chemical vapor deposition (CVD) leads to formation of a rough surface. The implications of the atomic-level spatial distribution of dopants on the rates and mechanisms of CVD growth processes are discussed.

Spatial Characteristics of the 630-nm Artificial Ionospheric Airglow Generation Region During the Sura Facility Pumping

NASA Astrophysics Data System (ADS)

Shindin, A. V.; Klimenko, V. V.; Kogogin, D. A.; Beletsky, A. B.; Grach, S. M.; Nasyrov, I. A.; Sergeev, E. N.

2018-05-01

We describe the method and the results of modeling and retrieval of the spatial distribution of excited oxygen atoms in the HF-pumped ionospheric region based on two-station records of artificial airglow in the red line (λ = 630 nm). The HF ionospheric pumping was provided by the Sura facility. The red-line records of the night-sky portraits were obtained at two reception points—directly at the heating facility and 170 km east of it. The results were compared with the vertical ionospheric sounding data. It was found that in the course of the experiments the airglow region was about 250 km high and did not depend on the altitude of the pump-wave resonance. The characteristic size of the region was 35 km, and the shape of the distribution isosurfaces was well described by oblique spheroids or a drop-shaped form. The average value of the maximum concentration of excited atoms during the experiment was about 1000 cm-3.

Transfer of a wave packet in double-well potential

NASA Astrophysics Data System (ADS)

Yang, Hai-Feng; Hu, Yao-Hua; Tan, Yong-Gang

2018-04-01

Energy potentials with double-well structures are typical in atoms and molecules systems. A manipulation scheme using Half Cycles Pulses (HCPs) is proposed to transfer a Gaussian wave packet between the two wells. On the basis of quantum mechanical simulations, the time evolution and the energy distribution of the wave packet are evaluated. The effect of time parameters, amplitude, and number of HCPs on spatial and energy distribution of the final state and transfer efficiency are investigated. After a carefully tailored HCPs sequence is applied to the initial wave packet localized in one well, the final state is a wave packet localized in the other well and populated at the lower energy levels with narrower distribution. The present scheme could be used to control molecular reactions and to prepare atoms with large dipole moments.

Homogeneous Atomic Fermi Gases

NASA Astrophysics Data System (ADS)

Mukherjee, Biswaroop; Yan, Zhenjie; Patel, Parth B.; Hadzibabic, Zoran; Yefsah, Tarik; Struck, Julian; Zwierlein, Martin W.

2017-03-01

We report on the creation of homogeneous Fermi gases of ultracold atoms in a uniform potential. In the momentum distribution of a spin-polarized gas, we observe the emergence of the Fermi surface and the saturated occupation of one particle per momentum state: the striking consequence of Pauli blocking in momentum space for a degenerate gas. Cooling a spin-balanced Fermi gas at unitarity, we create homogeneous superfluids and observe spatially uniform pair condensates. For thermodynamic measurements, we introduce a hybrid potential that is harmonic in one dimension and uniform in the other two. The spatially resolved compressibility reveals the superfluid transition in a spin-balanced Fermi gas, saturation in a fully polarized Fermi gas, and strong attraction in the polaronic regime of a partially polarized Fermi gas.

Nanoscale spatial analysis of clay minerals containing cesium by synchrotron radiation photoemission electron microscopy

NASA Astrophysics Data System (ADS)

Yoshigoe, Akitaka; Shiwaku, Hideaki; Kobayashi, Toru; Shimoyama, Iwao; Matsumura, Daiju; Tsuji, Takuya; Nishihata, Yasuo; Kogure, Toshihiro; Ohkochi, Takuo; Yasui, Akira; Yaita, Tsuyoshi

2018-01-01

A synchrotron radiation photoemission electron microscope (SR-PEEM) was applied to demonstrate the pinpoint analysis of micrometer-sized weathered biotite clay particles with artificially adsorbed cesium (Cs) atoms. Despite the insulating properties of the clay, we observed the spatial distributions of constituent elements (Si, Al, Cs, Mg, and Fe) without charging issues and clarified reciprocal site-correlations among these elements with nanometer resolution. We found that Cs atoms were likely to be adsorbed evenly over the entire particle; however, we identified an occupational conflict between Cs and Mg atoms, implying that Cs sorption involves ion exchange processes. Spatially resolved X-ray absorption spectra (XAS) of the Cs4,5 M-edge region showed Cs to be present in a monocation state (Cs+) as typically observed for Cs compounds. Further pinpoint XAS measurements were also performed at the Fe L2,3-edge to determine the chemical valence of the Fe atoms. The shapes of the spectra were similar to those for Fe2O3, indicating that Fe in the clay was in a 3+ oxidation state. From these observations, we infer that charge compensation facilitates Cs adsorption in the vicinity of a substitution site where Si4+ ions are replaced by Fe3+ ions in SiO4 tetrahedral sheets. Our results demonstrate the utility of SR-PEEM as a tool for spatially resolved chemical analyses of various environmental substances, which is not limited by the poor conductivity of samples.

Inductively guided circuits for ultracold dressed atoms

PubMed Central

Sinuco-León, German A.; Burrows, Kathryn A.; Arnold, Aidan S.; Garraway, Barry M.

2014-01-01

Recent progress in optics, atomic physics and material science has paved the way to study quantum effects in ultracold atomic alkali gases confined to non-trivial geometries. Multiply connected traps for cold atoms can be prepared by combining inhomogeneous distributions of DC and radio-frequency electromagnetic fields with optical fields that require complex systems for frequency control and stabilization. Here we propose a flexible and robust scheme that creates closed quasi-one-dimensional guides for ultracold atoms through the ‘dressing’ of hyperfine sublevels of the atomic ground state, where the dressing field is spatially modulated by inductive effects over a micro-engineered conducting loop. Remarkably, for commonly used atomic species (for example, 7Li and 87Rb), the guide operation relies entirely on controlling static and low-frequency fields in the regimes of radio-frequency and microwave frequencies. This novel trapping scheme can be implemented with current technology for micro-fabrication and electronic control. PMID:25348163

Determining the location and nearest neighbours of aluminium in zeolites with atom probe tomography

DOE PAGES

Perea, Daniel E.; Arslan, Ilke; Liu, Jia; ...

2015-07-02

Zeolite catalysis is determined by a combination of pore architecture and Brønsted acidity. As Brønsted acid sites are formed by the substitution of AlO4 for SiO4 tetrahedra, it is of utmost importance to have information on the number as well as the location and neighbouring sites of framework aluminium. Unfortunately, such detailed information has not yet been obtained, mainly due to the lack of suitable characterization methods. Here we report, using the powerful atomic-scale analysis technique known as atom probe tomography, the quantitative spatial distribution of individual aluminium atoms, including their three-dimensional extent of segregation. Ultimately, using a nearest-neighbour statisticalmore » analysis, we precisely determine the short-range distribution of aluminium over the different T-sites and determine the most probable Al–Al neighbouring distance within parent and steamed ZSM-5 crystals, as well as assess the long-range redistribution of aluminium upon zeolite steaming.« less

Determining the location and nearest neighbours of aluminium in zeolites with atom probe tomography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Perea, Daniel E.; Arslan, Ilke; Liu, Jia

Zeolite catalysis is determined by a combination of pore architecture and Brønsted acidity. As Brønsted acid sites are formed by the substitution of AlO4 for SiO4 tetrahedra, it is of utmost importance to have information on the number as well as the location and neighbouring sites of framework aluminium. Unfortunately, such detailed information has not yet been obtained, mainly due to the lack of suitable characterization methods. Here we report, using the powerful atomic-scale analysis technique known as atom probe tomography, the quantitative spatial distribution of individual aluminium atoms, including their three-dimensional extent of segregation. Ultimately, using a nearest-neighbour statisticalmore » analysis, we precisely determine the short-range distribution of aluminium over the different T-sites and determine the most probable Al–Al neighbouring distance within parent and steamed ZSM-5 crystals, as well as assess the long-range redistribution of aluminium upon zeolite steaming.« less

Measurement-induced entanglement for excitation stored in remote atomic ensembles.

PubMed

Chou, C W; de Riedmatten, H; Felinto, D; Polyakov, S V; van Enk, S J; Kimble, H J

2005-12-08

A critical requirement for diverse applications in quantum information science is the capability to disseminate quantum resources over complex quantum networks. For example, the coherent distribution of entangled quantum states together with quantum memory (for storing the states) can enable scalable architectures for quantum computation, communication and metrology. Here we report observations of entanglement between two atomic ensembles located in distinct, spatially separated set-ups. Quantum interference in the detection of a photon emitted by one of the samples projects the otherwise independent ensembles into an entangled state with one joint excitation stored remotely in 10(5) atoms at each site. After a programmable delay, we confirm entanglement by mapping the state of the atoms to optical fields and measuring mutual coherences and photon statistics for these fields. We thereby determine a quantitative lower bound for the entanglement of the joint state of the ensembles. Our observations represent significant progress in the ability to distribute and store entangled quantum states.

Detection of iron atoms by emission spectroscopy and laser-induced fluorescence in solid propellant flames.

PubMed

Vilmart, G; Dorval, N; Orain, M; Lambert, D; Devillers, R; Fabignon, Y; Attal-Tretout, B; Bresson, A

2018-05-10

Planar laser-induced fluorescence on atomic iron is investigated in this paper, and a measurement strategy is proposed to monitor the fluorescence of iron atoms with good sensitivity. A model is proposed to fit the experimental fluorescence spectra, and good agreement is found between simulated and experimental spectra. Emission and laser-induced fluorescence measurements are performed in the flames of ammonium perchlorate composite propellants containing iron-based catalysts. A fluorescence signal from iron atoms after excitation at 248 nm is observed for the first time in propellant flames. Images of the spatial distribution of iron atoms are recorded in the flame in which turbulent structures are generated. Iron fluorescence is detected up to 1.0 MPa, which opens the way to application in propellant combustion.

The Carina Nebula and Gum 31 molecular complex - II. The distribution of the atomic gas revealed in unprecedented detail

NASA Astrophysics Data System (ADS)

Rebolledo, David; Green, Anne J.; Burton, Michael; Brooks, Kate; Breen, Shari L.; Gaensler, B. M.; Contreras, Yanett; Braiding, Catherine; Purcell, Cormac

2017-12-01

We report high spatial resolution observations of the H I 21cm line in the Carina Nebula and the Gum 31 region obtained with the Australia Telescope Compact Array. The observations covered ∼12 °^2 centred on l = 287.5°, b = -1°, achieving an angular resolution of ∼35 arcsec. The H I map revealed complex filamentary structures across a wide range of velocities. Several 'bubbles' are clearly identified in the Carina Nebula complex, produced by the impact of the massive star clusters located in this region. An H I absorption profile obtained towards the strong extragalactic radio source PMN J1032-5917 showed the distribution of the cold component of the atomic gas along the Galactic disc, with the Sagittarius-Carina and Perseus spiral arms clearly distinguishable. Preliminary calculations of the optical depth and spin temperatures of the cold atomic gas show that the H I line is opaque (τ ≳ 2) at several velocities in the Sagittarius-Carina spiral arm. The spin temperature is ∼100 K in the regions with the highest optical depth, although this value might be lower for the saturated components. The atomic mass budget of Gum 31 is ∼35 per cent of the total gas mass. H I self-absorption features have molecular counterparts and good spatial correlation with the regions of cold dust as traced by the infrared maps. We suggest that in Gum 31 regions of cold temperature and high density are where the atomic to molecular gas-phase transition is likely to be occurring.

Io's Sodium Corona and Spatially Extended Cloud: A Consistent Flux Speed Distribution

NASA Technical Reports Server (NTRS)

Smyth, William H.; Combi, Michael R.

1997-01-01

For Io neutral cloud calculations, an SO2 source strength of approximately 4x10(exp 27) molecules/sec was determined by successfully matching the SO2(+) density profile near the satellite deduced from magnetometer data acquired by the Galileo spacecraft during its close flyby on December 7, 1995. The incomplete collision source velocity distribution for SO2 is the same as recently determined for the trace species atomic sodium by Smyth and Combi (1997). Estimates for the total energy loss rate (i.e. power) of O and S atoms escaping Io were also determined and imply a significant pickup current and a significant reduction in the local planetary magnetic field near Io.

Calculation of the spatial resolution in two-photon absorption spectroscopy applied to plasma diagnosis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Garcia-Lechuga, M.; Laser Processing Group, Instituto de Óptica “Daza de Valdés,” CSIC, 28006-Madrid; Fuentes, L. M.

2014-10-07

We report a detailed characterization of the spatial resolution provided by two-photon absorption spectroscopy suited for plasma diagnosis via the 1S-2S transition of atomic hydrogen for optogalvanic detection and laser induced fluorescence (LIF). A precise knowledge of the spatial resolution is crucial for a correct interpretation of measurements, if the plasma parameters to be analysed undergo strong spatial variations. The present study is based on a novel approach which provides a reliable and realistic determination of the spatial resolution. Measured irradiance distribution of laser beam waists in the overlap volume, provided by a high resolution UV camera, are employed tomore » resolve coupled rate equations accounting for two-photon excitation, fluorescence decay and ionization. The resulting three-dimensional yield distributions reveal in detail the spatial resolution for optogalvanic and LIF detection and related saturation due to depletion. Two-photon absorption profiles broader than the Fourier transform-limited laser bandwidth are also incorporated in the calculations. The approach allows an accurate analysis of the spatial resolution present in recent and future measurements.« less

Testing the limits of the Maxwell distribution of velocities for atoms flying nearly parallel to the walls of a thin cell.

PubMed

Todorov, Petko; Bloch, Daniel

2017-11-21

For a gas at thermal equilibrium, it is usually assumed that the velocity distribution follows an isotropic 3-dimensional Maxwell-Boltzmann (M-B) law. This assumption classically implies the assumption of a "cos θ" law for the flux of atoms leaving the surface. Actually, such a law has no grounds in surface physics, and experimental tests of this assumption have remained very few. In a variety of recently developed sub-Doppler laser spectroscopy techniques for gases one-dimensionally confined in a thin cell, the specific contribution of atoms moving nearly parallel to the boundary of the vapor container becomes essential. We report here on the implementation of an experiment to probe effectively the distribution of atomic velocities parallel to the windows for a thin (60 μm) Cs vapor cell. The principle of the setup relies on a spatially separated pump-probe experiment, where the variations of the signal amplitude with the pump-probe separation provide the information on the velocity distribution. The experiment is performed in a sapphire cell on the Cs resonance line, which benefits from a long-lived hyperfine optical pumping. Presently, we can analyze specifically the density of atoms with slow normal velocities ∼5-20 m/s, already corresponding to unusual grazing flight-at ∼85°-88.5° from the normal to the surface-and no deviation from the M-B law is found within the limits of our elementary setup. Finally we suggest tracks to explore more parallel velocities, when surface details-roughness or structure-and the atom-surface interaction should play a key role to restrict the applicability of an M-B-type distribution.

Testing the limits of the Maxwell distribution of velocities for atoms flying nearly parallel to the walls of a thin cell

NASA Astrophysics Data System (ADS)

Todorov, Petko; Bloch, Daniel

2017-11-01

For a gas at thermal equilibrium, it is usually assumed that the velocity distribution follows an isotropic 3-dimensional Maxwell-Boltzmann (M-B) law. This assumption classically implies the assumption of a "cos θ" law for the flux of atoms leaving the surface. Actually, such a law has no grounds in surface physics, and experimental tests of this assumption have remained very few. In a variety of recently developed sub-Doppler laser spectroscopy techniques for gases one-dimensionally confined in a thin cell, the specific contribution of atoms moving nearly parallel to the boundary of the vapor container becomes essential. We report here on the implementation of an experiment to probe effectively the distribution of atomic velocities parallel to the windows for a thin (60 μm) Cs vapor cell. The principle of the setup relies on a spatially separated pump-probe experiment, where the variations of the signal amplitude with the pump-probe separation provide the information on the velocity distribution. The experiment is performed in a sapphire cell on the Cs resonance line, which benefits from a long-lived hyperfine optical pumping. Presently, we can analyze specifically the density of atoms with slow normal velocities ˜5-20 m/s, already corresponding to unusual grazing flight—at ˜85°-88.5° from the normal to the surface—and no deviation from the M-B law is found within the limits of our elementary setup. Finally we suggest tracks to explore more parallel velocities, when surface details—roughness or structure—and the atom-surface interaction should play a key role to restrict the applicability of an M-B-type distribution.

Intensity-dependent atomic-phase effects in high-order harmonic generation

NASA Astrophysics Data System (ADS)

Peatross, J.; Meyerhofer, D. D.

1995-11-01

The far-field angular distributions of high-order harmonics of a 1054-nm laser, with orders ranging from the lower teens to the upper thirties, have been measured in thin, low-density Ar, Kr, and Xe targets. The 1.25-times-diffraction-limited, 1.4-ps-duration, Gaussian laser pulses were focused to intensities ranging from 3×1013 to 3×1014 W/cm2, using f/70 optics. A gas target localized the gas distribution near the laser focus to a thickness of about 1 mm at pressures as low as 0.3 Torr. The weak focusing geometry and the low gas pressures created experimental conditions for which the harmonics could be thought of as emerging from a plane at the laser focus rather than a three-dimensional volume. The far-field distributions of nearly all of the harmonics exhibit narrow central peaks surrounded by broad wings of about the same angular divergence as the emerging laser beam. The spatial wings are due to an intensity-dependent phase variation among the dipole moments of the individual target atoms. This phase variation gives rise to broad spatial interferences in the scattered light due to the radial and temporal variation of the laser intensity.

High-speed, two-dimensional synchrotron white-beam x-ray radiography of spray breakup and atomization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Halls, Benjamin R.; Radke, Christopher D.; Reuter, Benjamin J.

High-speed, two-dimensional synchrotron x-ray radiography and phase-contrast imaging are demonstrated in propulsion sprays. Measurements are performed at the 7-BM beamline at the Advanced Photon Source user facility at Argonne National Laboratory using a recently developed broadband x-ray white beam. This novel enhancement allows for high speed, high fidelity x-ray imaging for the community at large. Quantitative path-integrated liquid distributions and spatio-temporal dynamics of the sprays were imaged with a LuAG:Ce scintillator optically coupled to a high-speed CMOS camera. Images are collected with a microscope objective at frame rates of 20 kHz and with a macro lens at 120 kHz, achievingmore » spatial resolutions of 12 μm and 65 μm, respectively. Imaging with and without potassium iodide (KI) as a contrast-enhancing agent is compared, and the effects of broadband attenuation and spatial beam characteristics are determined through modeling and experimental calibration. In addition, phase contrast is used to differentiate liquid streams with varying concentrations of KI. The experimental approach is applied to different spray conditions, including quantitative measurements of mass distribution during primary atomization and qualitative visualization of turbulent binary fluid mixing. High-speed, two-dimensional synchrotron white-beam x-ray radiography of spray breakup and atomization. Available from: https://www.researchgate.net/publication/312567827_High-speed_two-dimensional_synchrotron_white-beam_x-ray_radiography_of_spray_breakup_and_atomization [accessed Aug 31, 2017].« less

Optical angular momentum and atoms

PubMed Central

2017-01-01

Any coherent interaction of light and atoms needs to conserve energy, linear momentum and angular momentum. What happens to an atom’s angular momentum if it encounters light that carries orbital angular momentum (OAM)? This is a particularly intriguing question as the angular momentum of atoms is quantized, incorporating the intrinsic spin angular momentum of the individual electrons as well as the OAM associated with their spatial distribution. In addition, a mechanical angular momentum can arise from the rotation of the entire atom, which for very cold atoms is also quantized. Atoms therefore allow us to probe and access the quantum properties of light’s OAM, aiding our fundamental understanding of light–matter interactions, and moreover, allowing us to construct OAM-based applications, including quantum memories, frequency converters for shaped light and OAM-based sensors. This article is part of the themed issue ‘Optical orbital angular momentum’. PMID:28069766

Quenches across the self-organization transition in multimode cavities

NASA Astrophysics Data System (ADS)

Keller, Tim; Torggler, Valentin; Jäger, Simon B.; Schütz, Stefan; Ritsch, Helmut; Morigi, Giovanna

2018-02-01

A cold dilute atomic gas in an optical resonator can be radiatively cooled by coherent scattering processes when the driving laser frequency is tuned close to but below the cavity resonance. When the atoms are sufficiently illuminated, their steady state undergoes a phase transition from a homogeneous distribution to a spatially organized Bragg grating. We characterize the dynamics of this self-ordering process in the semi-classical regime when distinct cavity modes with commensurate wavelengths are quasi-resonantly driven by laser fields via scattering by the atoms. The lasers are simultaneously applied and uniformly illuminate the atoms; their frequencies are chosen so that the atoms are cooled by the radiative processes, and their intensities are either suddenly switched or slowly ramped across the self-ordering transition. Numerical simulations for different ramp protocols predict that the system will exhibit long-lived metastable states, whose occurrence strongly depends on the initial temperature, ramp speed, and the number of atoms.

Spatially resolved In and As distributions in InGaAs/GaP and InGaAs/GaAs quantum dot systems.

PubMed

Shen, J; Song, Y; Lee, M L; Cha, J J

2014-11-21

InGaAs quantum dots (QDs) on GaP are promising for monolithic integration of optoelectronics with Si technology. To understand and improve the optical properties of InGaAs/GaP QD systems, detailed measurements of the QD atomic structure as well as the spatial distributions of each element at high resolution are crucial. This is because the QD band structure, band alignment, and optical properties are determined by the atomic structure and elemental composition. Here, we directly measure the inhomogeneous distributions of In and As in InGaAs QDs grown on GaAs and GaP substrates at the nanoscale using energy dispersive x-ray spectral mapping in a scanning transmission electron microscope. We find that the In distribution is broader on GaP than on GaAs, and as a result, the QDs appear to be In-poor using a GaP matrix. Our findings challenge some of the assumptions made for the concentrations and distributions of In within InGaAs/GaAs or InGaAs/GaP QD systems and provide detailed structural and elemental information to modify the current band structure understanding. In particular, the findings of In deficiency and inhomogeneous distribution in InGaAs/GaP QD systems help to explain photoluminescence spectral differences between InGaAs/GaAs and InGaAs/GaP QD systems.

Spatial organization of surface nanobubbles and its implications in their formation process.

PubMed

Lhuissier, Henri; Lohse, Detlef; Zhang, Xuehua

2014-02-21

We study the size and spatial distribution of surface nanobubbles formed by the solvent exchange method to gain insight into the mechanism of their formation. The analysis of Atomic Force Microscopy (AFM) images of nanobubbles formed on a hydrophobic surface reveals that the nanobubbles are not randomly located, which we attribute to the role of the history of nucleation during the formation. Moreover, the size of each nanobubble is found to be strongly correlated with the area of the bubble-depleted zone around it. The precise correlation suggests that the nanobubbles grow by diffusion of the gas from the bulk rather than by diffusion of the gas adsorbed on the surface. Lastly, the size distribution of the nanobubbles is found to be well described by a log-normal distribution.

Three-dimensional time-dependent computer modeling of the electrothermal atomizers for analytical spectrometry

NASA Astrophysics Data System (ADS)

Tsivilskiy, I. V.; Nagulin, K. Yu.; Gilmutdinov, A. Kh.

2016-02-01

A full three-dimensional nonstationary numerical model of graphite electrothermal atomizers of various types is developed. The model is based on solution of a heat equation within solid walls of the atomizer with a radiative heat transfer and numerical solution of a full set of Navier-Stokes equations with an energy equation for a gas. Governing equations for the behavior of a discrete phase, i.e., atomic particles suspended in a gas (including gas-phase processes of evaporation and condensation), are derived from the formal equations molecular kinetics by numerical solution of the Hertz-Langmuir equation. The following atomizers test the model: a Varian standard heated electrothermal vaporizer (ETV), a Perkin Elmer standard THGA transversely heated graphite tube with integrated platform (THGA), and the original double-stage tube-helix atomizer (DSTHA). The experimental verification of computer calculations is carried out by a method of shadow spectral visualization of the spatial distributions of atomic and molecular vapors in an analytical space of an atomizer.

Absolute atomic hydrogen densities in a radio frequency discharge measured by two-photon laser induced fluorescence imaging

NASA Astrophysics Data System (ADS)

Chérigier, L.; Czarnetzki, U.; Luggenhölscher, D.; Schulz-von der Gathen, V.; Döbele, H. F.

1999-01-01

Absolute atomic hydrogen densities were measured in the gaseous electronics conference reference cell parallel plate reactor by Doppler-free two-photon absorption laser induced fluorescence spectroscopy (TALIF) at λ=205 nm. The capacitively coupled radio frequency discharge was operated at 13.56 MHz in pure hydrogen under various input power and pressure conditions. The Doppler-free excitation technique with an unfocused laser beam together with imaging the fluorescence radiation by an intensified charge coupled device camera allows instantaneous spatial resolution along the radial direction. Absolute density calibration is obtained with the aid of a flow tube reactor and titration with NO2. The influence of spatial intensity inhomogenities along the laser beam and subsequent fluorescence are corrected by TALIF in xenon. A full mapping of the absolute density distribution between the electrodes was obtained. The detection limit for atomic hydrogen amounts to about 2×1018 m-3. The dissociation degree is of the order of a few percent.

Probing density and spin correlations in two-dimensional Hubbard model with ultracold fermions

NASA Astrophysics Data System (ADS)

Chan, Chun Fai; Drewes, Jan Henning; Gall, Marcell; Wurz, Nicola; Cocchi, Eugenio; Miller, Luke; Pertot, Daniel; Brennecke, Ferdinand; Koehl, Michael

2017-04-01

Quantum gases of interacting fermionic atoms in optical lattices is a promising candidate to study strongly correlated quantum phases of the Hubbard model such as the Mott-insulator, spin-ordered phases, or in particular d-wave superconductivity. We experimentally realise the two-dimensional Hubbard model by loading a quantum degenerate Fermi gas of 40 K atoms into a three-dimensional optical lattice geometry. High-resolution absorption imaging in combination with radiofrequency spectroscopy is applied to spatially resolve the atomic distribution in a single 2D layer. We investigate in local measurements of spatial correlations in both the density and spin sector as a function of filling, temperature and interaction strength. In the density sector, we compare the local density fluctuations and the global thermodynamic quantities, and in the spin sector, we observe the onset of non-local spin correlation, signalling the emergence of the anti-ferromagnetic phase. We would report our recent experimental endeavours to investigate further down in temperature in the spin sector.

Revealing the Sub-Barrier Phase using a Spatiotemporal Interferometer with Orthogonal Two-Color Laser Fields of Comparable Intensity

NASA Astrophysics Data System (ADS)

Han, Meng; Ge, Peipei; Shao, Yun; Liu, Ming-Ming; Deng, Yongkai; Wu, Chengyin; Gong, Qihuang; Liu, Yunquan

2017-08-01

We measure photoelectron momentum distributions of Ar atoms in orthogonally polarized two-color laser fields with comparable intensities. The synthesized laser field is used to manipulate the oscillating tunneling barrier and the subsequent motion of electrons onto two spatial dimensions. The subcycle structures associated with the temporal double-slit interference are spatially separated and enhanced. We use such a spatiotemporal interferometer to reveal sub-barrier phase of strong-field tunneling ionization. This study shows that the tunneling process transfers the initial phase onto momentum distribution. Our work has the implication that the sub-barrier phase plays an indispensable role in photoelectron interference processes.

Quantum primary rainbows in transmission of positrons through very short carbon nanotubes

NASA Astrophysics Data System (ADS)

Ćosić, M.; Petrović, S.; Nešković, N.

2016-04-01

This paper is devoted to a quantum mechanical consideration of the transmission of positrons of a kinetic energy of 1 MeV through very short (11, 9) single-wall chiral carbon nanotubes. The nanotube lengths are between 50 and 320 nm. The transmission process is determined by the rainbow effects. The interaction potential of a positron and the nanotube is deduced from the Molire's interaction potential of the positron and a nanotube atom using the continuum approximation. We solve numerically the time-dependent Schrödinger equation, and calculate the spatial and angular distributions of transmitted positrons. The initial positron beam is assumed to be an ensemble of non-interacting Gaussian wave packets. We generate the spatial and angular distributions using the computer simulation method. The examination is focused on the spatial and angular primary rainbows. It begins with an analysis of the corresponding classical rainbows, and continues with a detailed investigation of the amplitudes and phases of the wave functions of transmitted positrons. These analyses enable one to identify the principal and supernumerary primary rainbows appearing in the spatial and angular distributions. They also result in a detailed explanation of the way of their generation, which includes the effects of wrinkling of each wave packet during its deflection from the nanotube wall, and of its concentration just before a virtual barrier lying close to the corresponding classical rainbow. The wrinkling of the wave packets occurs due to their internal focusing. In addition, the wave packets wrinkle in a mutually coordinated way. This explanation may induce new theoretical and experimental investigations of quantum rainbows occurring in various atomic collision processes.

The effect of the electric wind on the spatial distribution of chemical species in the positive corona discharge

NASA Astrophysics Data System (ADS)

Yanallah, K.; Pontiga, F.; Bouazza, M. R.; Chen, J. H.

2017-08-01

The electrohydrodynamic air flow generated by a positive corona discharge, and its effect on the spatial distribution of chemical species within a wire-plate corona reactor, have been numerically simulated. The computational model is based on the solutions of the Navier-Stokes equation and the continuity equation of each chemical species generated by the electrical discharge. A simplified analytical expression of the electric force density, which only requires the current density as the input parameter, has been used in the Navier-Stokes equation to obtain the velocity field. For the solution of the continuity equations, a plasma chemistry model that includes the most important reactions between electrons, atoms and molecules in air has been used. Similar to the electric force, the electron density distribution has been approximated by using a semi-analytical expression appropriate for the electrode geometry. The results of the study show that the spatial distribution of chemical species can be very different, and depends on the interplay between the electrohydrodynamic flow, the chemical kinetics of the species and its characteristic lifetime.

Direct Imaging of Lipid-Ion Network Formation under Physiological Conditions by Frequency Modulation Atomic Force Microscopy

NASA Astrophysics Data System (ADS)

Fukuma, Takeshi; Higgins, Michael J.; Jarvis, Suzanne P.

2007-03-01

Various metal cations in physiological solutions interact with lipid headgroups in biological membranes, having an impact on their structure and stability, yet little is known about the molecular-scale dynamics of the lipid-ion interactions. Here we directly investigate the extensive lipid-ion interaction networks and their transient formation between headgroups in a dipalmitoylphosphatidylcholine bilayer under physiological conditions. The spatial distribution of ion occupancy is imaged in real space by frequency modulation atomic force microscopy with sub-Ångstrom resolution.

SIRIUS. An automated method for the analysis of the preferred packing arrangements between protein groups.

PubMed

Singh, J; Thornton, J M

1990-02-05

Automated methods have been developed to determine the preferred packing arrangement between interacting protein groups. A suite of FORTRAN programs, SIRIUS, is described for calculating and analysing the geometries of interacting protein groups using crystallographically derived atomic co-ordinates. The programs involved in calculating the geometries search for interacting pairs of protein groups using a distance criterion, and then calculate the spatial disposition and orientation of the pair. The second set of programs is devoted to analysis. This involves calculating the observed and expected distributions of the angles and assessing the statistical significance of the difference between the two. A database of the geometries of the 400 combinations of side-chain to side-chain interaction has been created. The approach used in analysing the geometrical information is illustrated here with specific examples of interactions between side-chains, peptide groups and particular types of atom. At the side-chain level, an analysis of aromatic-amino interactions, and the interactions of peptide carbonyl groups with arginine residues is presented. At the atomic level the analyses include the spatial disposition of oxygen atoms around tyrosine residues, and the frequency and type of contact between carbon, nitrogen and oxygen atoms. This information is currently being applied to the modelling of protein interactions.

Generalized Pearson distributions for charged particles interacting with an electric and/or a magnetic field

NASA Astrophysics Data System (ADS)

Rossani, A.; Scarfone, A. M.

2009-06-01

The linear Boltzmann equation for elastic and/or inelastic scattering is applied to derive the distribution function of a spatially homogeneous system of charged particles spreading in a host medium of two-level atoms and subjected to external electric and/or magnetic fields. We construct a Fokker-Planck approximation to the kinetic equations and derive the most general class of distributions for the given problem by discussing in detail some physically meaningful cases. The equivalence with the transport theory of electrons in a phonon background is also discussed.

Spatial entanglement patterns and Einstein-Podolsky-Rosen steering in Bose-Einstein condensates.

PubMed

Fadel, Matteo; Zibold, Tilman; Décamps, Boris; Treutlein, Philipp

2018-04-27

Many-particle entanglement is a fundamental concept of quantum physics that still presents conceptual challenges. Although nonclassical states of atomic ensembles were used to enhance measurement precision in quantum metrology, the notion of entanglement in these systems was debated because the correlations among the indistinguishable atoms were witnessed by collective measurements only. Here, we use high-resolution imaging to directly measure the spin correlations between spatially separated parts of a spin-squeezed Bose-Einstein condensate. We observe entanglement that is strong enough for Einstein-Podolsky-Rosen steering: We can predict measurement outcomes for noncommuting observables in one spatial region on the basis of corresponding measurements in another region with an inferred uncertainty product below the Heisenberg uncertainty bound. This method could be exploited for entanglement-enhanced imaging of electromagnetic field distributions and quantum information tasks. Copyright © 2018 The Authors, some rights reserved; exclusive licensee American Association for the Advancement of Science. No claim to original U.S. Government Works.

Nanoscopic analysis of oxygen segregation at tilt boundaries in silicon ingots using atom probe tomography combined with TEM and ab initio calculations.

PubMed

Ohno, Y; Inoue, K; Fujiwara, K; Kutsukake, K; Deura, M; Yonenaga, I; Ebisawa, N; Shimizu, Y; Inoue, K; Nagai, Y; Yoshida, H; Takeda, S; Tanaka, S; Kohyama, M

2017-12-01

We have developed an analytical method to determine the segregation levels on the same tilt boundaries (TBs) at the same nanoscopic location by a joint use of atom probe tomography and scanning transmission electron microscopy, and discussed the mechanism of oxygen segregation at TBs in silicon ingots in terms of bond distortions around the TBs. The three-dimensional distribution of oxygen atoms was determined at the typical small- and large-angle TBs by atom probe tomography with a low impurity detection limit (0.01 at.% on a TB plane) simultaneously with high spatial resolution (about 0.4 nm). The three-dimensional distribution was correlated with the atomic stress around the TBs; the stress at large-angle TBs was estimated by ab initio calculations based on atomic resolution scanning transmission electron microscopy data and that at small-angle TBs were calculated with the elastic theory based on dark-field transmission electron microscopy data. Oxygen atoms would segregate at bond-centred sites under tensile stress above about 2 GPa, so as to attain a more stable bonding network by reducing the local stress. The number of oxygen atoms segregating in a unit TB area N GB (in atoms nm -2 ) was determined to be proportional to both the number of the atomic sites under tensile stress in a unit TB area n bc and the average concentration of oxygen atoms around the TB [O i ] (in at.%) with N GB ∼ 50 n bc [O i ]. © 2017 The Authors Journal of Microscopy © 2017 Royal Microscopical Society.

Application of micron X-ray CT based on micro-PIXE to investigate the distribution of Cs in silt particles for environmental remediation in Fukushima Prefecture

NASA Astrophysics Data System (ADS)

Ishii, Keizo; Hatakeyama, Taisuke; Itoh, Shin; Sata, Daichi; Ohnuma, Tohru; Yamaguchi, Toshiro; Arai, Hiromu; Arai, Hirotsugu; Matsuyama, Shigeo; Terakawa, Atsuki; Kim, Seong-Yun

2016-03-01

We used X-ray computed tomography (CT) using characteristic X-rays produced in micro-particle-induced X-ray emission (PIXE) to investigate the internal structure of silt particles and develop new methods to decontaminate soil containing radioactive cesium. We obtained 3D attenuation coefficient images of silt particles with a diameter of approximately 100 μm for V K and Cr K X-rays. Owing to the absorption edges of the Cs L-shell, the differences between the V K and Cr K X-ray images revealed the spatial distribution of Cs atoms in the silt particles. Cs atoms were distributed over the surfaces of the silt particles to a thickness of approximately 10 μm. This information is useful for the decontamination of silt contaminated by radiation from the Fukushima Daiichi nuclear disaster.

Energetic ion, atom, and molecule reactions and excitation in low-current H2 discharges: H(alpha) Doppler profiles.

PubMed

Petrović, Z Lj; Phelps, A V

2009-12-01

Absolute spectral emissivities for Doppler broadened H(alpha) profiles are measured and compared with predictions of energetic hydrogen ion, atom, and molecule behavior in low-current electrical discharges in H2 at very high electric field E to gas density N ratios E/N and low values of Nd , where d is the parallel-plate electrode separation. These observations reflect the energy and angular distributions for the excited atoms and quantitatively test features of multiple-scattering kinetic models in weakly ionized hydrogen in the presence of an electric field that are not tested by the spatial distributions of H(alpha) emission. Absolute spectral intensities agree well with predictions. Asymmetries in Doppler profiles observed parallel to the electric field at 4

Particle dynamics during nanoparticle synthesis by laser ablation in a background gas

NASA Astrophysics Data System (ADS)

Nakata, Yoshiki; Muramoto, Junichi; Okada, Tatsuo; Maeda, Mitsuo

2002-02-01

Particle dynamics during Si nanoparticle synthesis in a laser-ablation plume in different background gases were investigated by laser-spectroscopic imaging techniques. Two-dimensional laser induced fluorescence and ultraviolet Rayleigh scattering techniques were used to visualize the spatial distribution of the Si atoms and nanoparticles grown, respectively. We have developed a visualization technique called re-decomposition laser-induced fluorescence to observe small nanoparticles (hereafter called clusters) which are difficult to observe by the conventional imaging techniques. In this article, the whole process of nanoparticle synthesis in different background gases of He, Ne, Ar, N2 and O2 was investigated by these techniques. In He, Ne, Ar and N2 background gases at 10 Torr, the clustering of the Si atoms started 200, 250, 300 and 800 μs after ablation, respectively. The growth rate of the clusters in He background gas was much larger than that in the other gases. The spatial distributions of the Si nanoparticles were mushroom like in He, N2 and O2, and column like in Ne and Ar. It is thought that the difference in distribution was caused by differences in the flow characteristics of the background gases, which would imply that the viscosity of the background gas is one of the main governing parameters.

Production mechanism of atomic nitrogen in atmospheric pressure pulsed corona discharge measured using two-photon absorption laser-induced fluorescence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Teramoto, Yoshiyuki; Ono, Ryo; Oda, Tetsuji

To study the production mechanism of atomic nitrogen, the temporal profile and spatial distribution of atomic nitrogen are measured in atmospheric pressure pulsed positive corona discharge using two-photon absorption laser-induced fluorescence. The absolute atomic nitrogen density in the streamer filaments is estimated from decay rate of atomic nitrogen in N{sub 2} discharge. The results indicate that the absolute atomic nitrogen density is approximately constant against discharge energy. When the discharge voltage is 21.5 kV, production yield of atomic nitrogen produced by an N{sub 2} discharge pulse is estimated to be 2.9 - 9.8 Multiplication-Sign 10{sup 13} atoms and the energymore » efficiency of atomic nitrogen production is estimated to be about 1.8 - 6.1 Multiplication-Sign 10{sup 16} atoms/J. The energy efficiency of atomic nitrogen production in N{sub 2} discharge is constant against the discharge energy, while that in N{sub 2}/O{sub 2} discharge increases with discharge energy. In the N{sub 2}/O{sub 2} discharge, two-step process of N{sub 2} dissociation plays significant role for atomic nitrogen production.« less

Nanometre-scale investigations by atomic force microscopy into the effect of different treatments on the surface structure of hair.

PubMed

Durkan, C; Wang, N

2014-12-01

To investigate the effect of different washing regimes on the surface of human hair at the nanometre scale - comparable to the size of typical deposits left behind by commercial products. Atomic force microscopy (AFM) and related techniques. It can be directly seen that washing hair using commercial hair care products removes deposits that naturally form on the shaft, revealing the underlying structure of the hair, whereas in many cases leaving new deposits behind. The spatial distribution of these deposits is explored and quantified. The spatial distribution of the surface charge of pristine hair is mapped, and the electrical screening effect of deposits is directly observed. We also show that the roughness of the treated hair depends directly on the type of product used, with a marked difference between shampoo and conditioner. Some products leave isolated deposits behind, whereas others leave layers of material behind which wet the hair surface. Atomic force microscopy and the related techniques we have employed in a forensic approach is able to distinguish between different hair care products on the basis of the deposits they leave behind. This opens up the capability of further analysis tools to complement already existing techniques. © 2014 Society of Cosmetic Scientists and the Société Française de Cosmétologie.

Synchrotron Radiation X-Ray Microfluorescence Reveals Polarized Distribution of Atomic Elements during Differentiation of Pluripotent Stem Cells

PubMed Central

Paulsen, Bruna S.; Rehen, Stevens K.

2011-01-01

The mechanisms underlying pluripotency and differentiation in embryonic and reprogrammed stem cells are unclear. In this work, we characterized the pluripotent state towards neural differentiated state through analysis of trace elements distribution using the Synchrotron Radiation X-ray Fluorescence Spectroscopy. Naive and neural-stimulated embryoid bodies (EB) derived from embryonic and induced pluripotent stem (ES and iPS) cells were irradiated with a spatial resolution of 20 µm to make elemental maps and qualitative chemical analyses. Results show that these embryo-like aggregates exhibit self-organization at the atomic level. Metallic elements content rises and consistent elemental polarization pattern of P and S in both mouse and human pluripotent stem cells were observed, indicating that neural differentiation and elemental polarization are strongly correlated. PMID:22195032

Self-referenced coherent diffraction x-ray movie of Ångstrom- and femtosecond-scale atomic motion

DOE PAGES

Glownia, J. M.; Natan, A.; Cryan, J. P.; ...

2016-10-03

Time-resolved femtosecond x-ray diffraction patterns from laser-excited molecular iodine are used to create a movie of intramolecular motion with a temporal and spatial resolution of 30 fs and 0.3 Å. This high fidelity is due to interference between the nonstationary excitation and the stationary initial charge distribution. The initial state is used as the local oscillator for heterodyne amplification of the excited charge distribution to retrieve real-space movies of atomic motion on ångstrom and femtosecond scales. This x-ray interference has not been employed to image internal motion in molecules before. In conclusion, coherent vibrational motion and dispersion, dissociation, and rotationalmore » dephasing are all clearly visible in the data, thereby demonstrating the stunning sensitivity of heterodyne methods.« less

Studies for the Loss of Atomic and Molecular Species from Io

NASA Technical Reports Server (NTRS)

Smyth, William H.

1997-01-01

The general objective of this project is to advance our theoretical understanding of Io's atmosphere by studying how various atomic and molecular species are lost from this atmosphere and are distributed near the satellite and in the circumplanetary environment of Jupiter. The project is divided into well-defined studies described for the likely dominant atmospheric gases involving species of the SO2 family (SO2, SO, 02, 0, S) and for the trace atmospheric gas atomic sodium. The relative abundance of the members of the S02 family and Na (and its parent Na(x)) at the satellite exobase and their relative spatial densities beyond in the extended corona of lo are not well known but will depend upon a number of factors including the upward transport rate of gases from below, the velocity distribution and corresponding escape rate of gases at the exobase, and the operative magnetospheric/solar-photon driven chemistry for the different gases. This question of relative abundance will be studied in this project.

Two-photon absorption laser-induced fluorescence of atomic oxygen in the afterglow of pulsed positive corona discharge

NASA Astrophysics Data System (ADS)

Ono, Ryo; Takezawa, Kei; Oda, Tetsuji

2009-08-01

Atomic oxygen is measured in the afterglow of pulsed positive corona discharge using time-resolved two-photon absorption laser-induced fluorescence. The discharge occurs in a 14 mm point-to-plane gap in dry air. After the discharge pulse, the atomic oxygen density decreases at a rate of 5×104 s-1. Simultaneously, ozone density increases at almost the same rate, where the ozone density is measured using laser absorption method. This agreement between the increasing rate of atomic oxygen and decreasing rate of ozone proves that ozone is mainly produced by the well-known three-body reaction, O+O2+M→O3+M. No other process for ozone production such as O2(v)+O2→O3+O is observed. The spatial distribution of atomic oxygen density is in agreement with that of the secondary streamer luminous intensity. This agreement indicates that atomic oxygen is mainly produced in the secondary streamer channels, not in the primary streamer channels.

Atomic picture of elastic deformation in a metallic glass

NASA Astrophysics Data System (ADS)

Wang, X. D.; Aryal, S.; Zhong, C.; Ching, W. Y.; Sheng, H. W.; Zhang, H.; Zhang, D. X.; Cao, Q. P.; Jiang, J. Z.

2015-03-01

The tensile behavior of a Ni60Nb40 metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.

Atomic picture of elastic deformation in a metallic glass.

PubMed

Wang, X D; Aryal, S; Zhong, C; Ching, W Y; Sheng, H W; Zhang, H; Zhang, D X; Cao, Q P; Jiang, J Z

2015-03-17

The tensile behavior of a Ni60Nb40 metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples, mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.

Atomic picture of elastic deformation in a metallic glass

DOE PAGES

Wang, X. D.; Aryal, S.; Zhong, C.; ...

2015-03-17

The tensile behavior of a Ni₆₀Nb₄₀ metallic glass (MG) has been studied by using ab initio density functional theory (DFT) calculation with a large cell containing 1024 atoms (614 Ni and 410 Nb). We provide insight into how a super elastic limit can be achieved in a MG. Spatially inhomogeneous responses of single atoms and also major polyhedra are found to change greatly with increasing external stress when the strain is over 2%, causing the intrinsically viscoelastic behavior. We uncover the origin of the observed super elastic strain limit under tension (including linear and viscoelastic strains) in small-sized MG samples,more » mainly caused by inhomogeneous distribution of excess volumes in the form of newly formed subatomic cavities.« less

Advantage of spatial map ion imaging in the study of large molecule photodissociation

NASA Astrophysics Data System (ADS)

Lee, Chin; Lin, Yen-Cheng; Lee, Shih-Huang; Lee, Yin-Yu; Tseng, Chien-Ming; Lee, Yuan-Tseh; Ni, Chi-Kung

2017-07-01

The original ion imaging technique has low velocity resolution, and currently, photodissociation is mostly investigated using velocity map ion imaging. However, separating signals from the background (resulting from undissociated excited parent molecules) is difficult when velocity map ion imaging is used for the photodissociation of large molecules (number of atoms ≥ 10). In this study, we used the photodissociation of phenol at the S1 band origin as an example to demonstrate how our multimass ion imaging technique, based on modified spatial map ion imaging, can overcome this difficulty. The photofragment translational energy distribution obtained when multimass ion imaging was used differed considerably from that obtained when velocity map ion imaging and Rydberg atom tagging were used. We used conventional translational spectroscopy as a second method to further confirm the experimental results, and we conclude that data should be interpreted carefully when velocity map ion imaging or Rydberg atom tagging is used in the photodissociation of large molecules. Finally, we propose a modified velocity map ion imaging technique without the disadvantages of the current velocity map ion imaging technique.

In situ KPFM imaging of local photovoltaic characteristics of structured organic photovoltaic devices.

PubMed

Watanabe, Satoshi; Fukuchi, Yasumasa; Fukasawa, Masako; Sassa, Takafumi; Kimoto, Atsushi; Tajima, Yusuke; Uchiyama, Masanobu; Yamashita, Takashi; Matsumoto, Mutsuyoshi; Aoyama, Tetsuya

2014-02-12

Here, we discuss the local photovoltaic characteristics of a structured bulk heterojunction, organic photovoltaic devices fabricated with a liquid carbazole, and a fullerene derivative based on analysis by scanning kelvin probe force microscopy (KPFM). Periodic photopolymerization induced by an interference pattern from two laser beams formed surface relief gratings (SRG) in the structured films. The surface potential distribution in the SRGs indicates the formation of donor and acceptor spatial distribution. Under illumination, the surface potential reversibly changed because of the generation of fullerene anions and hole transport from the films to substrates, which indicates that we successfully imaged the local photovoltaic characteristics of the structured photovoltaic devices. Using atomic force microscopy, we confirmed the formation of the SRG because of the material migration to the photopolymerized region of the films, which was induced by light exposure through photomasks. The structuring technique allows for the direct fabrication and the control of donor and acceptor spatial distribution in organic photonic and electronic devices with minimized material consumption. This in situ KPFM technique is indispensable to the fabrication of nanoscale electron donor and electron acceptor spatial distribution in the devices.

Large Fluctuations for Spatial Diffusion of Cold Atoms

NASA Astrophysics Data System (ADS)

Aghion, Erez; Kessler, David A.; Barkai, Eli

2017-06-01

We use a new approach to study the large fluctuations of a heavy-tailed system, where the standard large-deviations principle does not apply. Large-deviations theory deals with tails of probability distributions and the rare events of random processes, for example, spreading packets of particles. Mathematically, it concerns the exponential falloff of the density of thin-tailed systems. Here we investigate the spatial density Pt(x ) of laser-cooled atoms, where at intermediate length scales the shape is fat tailed. We focus on the rare events beyond this range, which dominate important statistical properties of the system. Through a novel friction mechanism induced by the laser fields, the density is explored with the recently proposed non-normalized infinite-covariant density approach. The small and large fluctuations give rise to a bifractal nature of the spreading packet. We derive general relations which extend our theory to a class of systems with multifractal moments.

Heralded high-efficiency quantum repeater with atomic ensembles assisted by faithful single-photon transmission

NASA Astrophysics Data System (ADS)

Li, Tao; Deng, Fu-Guo

2015-10-01

Quantum repeater is one of the important building blocks for long distance quantum communication network. The previous quantum repeaters based on atomic ensembles and linear optical elements can only be performed with a maximal success probability of 1/2 during the entanglement creation and entanglement swapping procedures. Meanwhile, the polarization noise during the entanglement distribution process is harmful to the entangled channel created. Here we introduce a general interface between a polarized photon and an atomic ensemble trapped in a single-sided optical cavity, and with which we propose a high-efficiency quantum repeater protocol in which the robust entanglement distribution is accomplished by the stable spatial-temporal entanglement and it can in principle create the deterministic entanglement between neighboring atomic ensembles in a heralded way as a result of cavity quantum electrodynamics. Meanwhile, the simplified parity-check gate makes the entanglement swapping be completed with unity efficiency, other than 1/2 with linear optics. We detail the performance of our protocol with current experimental parameters and show its robustness to the imperfections, i.e., detuning and coupling variation, involved in the reflection process. These good features make it a useful building block in long distance quantum communication.

Molecular dynamics simulation of temperature effects on low energy near-surface cascades and surface damage in Cu

NASA Astrophysics Data System (ADS)

Zhu, Guo; Sun, Jiangping; Guo, Xiongxiong; Zou, Xixi; Zhang, Libin; Gan, Zhiyin

2017-06-01

The temperature effects on near-surface cascades and surface damage in Cu(0 0 1) surface under 500 eV argon ion bombardment were studied using molecular dynamics (MD) method. In present MD model, substrate system was fully relaxed for 1 ns and a read-restart scheme was introduced to save total computation time. The temperature dependence of damage production was calculated. The evolution of near-surface cascades and spatial distribution of adatoms at varying temperature were analyzed and compared. It was found that near-surface vacancies increased with temperature, which was mainly due to the fact that more atoms initially located in top two layers became adatoms with the decrease of surface binding energy. Moreover, with the increase of temperature, displacement cascades altered from channeling-like structure to branching structure, and the length of collision sequence decreased gradually, because a larger portion of energy of primary knock-on atom (PKA) was scattered out of focused chain. Furthermore, increasing temperature reduced the anisotropy of distribution of adatoms, which can be ascribed to that regular registry of surface lattice atoms was changed with the increase of thermal vibration amplitude of surface atoms.

Heralded high-efficiency quantum repeater with atomic ensembles assisted by faithful single-photon transmission.

PubMed

Li, Tao; Deng, Fu-Guo

2015-10-27

Quantum repeater is one of the important building blocks for long distance quantum communication network. The previous quantum repeaters based on atomic ensembles and linear optical elements can only be performed with a maximal success probability of 1/2 during the entanglement creation and entanglement swapping procedures. Meanwhile, the polarization noise during the entanglement distribution process is harmful to the entangled channel created. Here we introduce a general interface between a polarized photon and an atomic ensemble trapped in a single-sided optical cavity, and with which we propose a high-efficiency quantum repeater protocol in which the robust entanglement distribution is accomplished by the stable spatial-temporal entanglement and it can in principle create the deterministic entanglement between neighboring atomic ensembles in a heralded way as a result of cavity quantum electrodynamics. Meanwhile, the simplified parity-check gate makes the entanglement swapping be completed with unity efficiency, other than 1/2 with linear optics. We detail the performance of our protocol with current experimental parameters and show its robustness to the imperfections, i.e., detuning and coupling variation, involved in the reflection process. These good features make it a useful building block in long distance quantum communication.

The global characteristics of atmosphere emissions in the lower thermosphere and their aeronomic implications. [OGO-4 airglow photometric observations of oxygen

NASA Technical Reports Server (NTRS)

Reed, E. I.; Chandra, S.

1974-01-01

The green line of atomic oxygen and the Herzberg bands of molecular oxygen as observed from the OGO-4 airglow photometer are discussed in terms of their spatial and temporal distributions and their relation to the atomic oxygen content in the lower thermosphere. Daily maps of the distribution of emissions show considerable structure (cells, patches, and bands) with appreciable daily changes. When data are averaged over periods of several days in length, the resulting patterns have occasional tendencies to follow geomagnetic parallels. The Seasonal variations are characterized by maxima in both the Northern and Southern Hemispheres in October, with the Northern Hemisphere having substantially higher emission rates. Formulae are derived relating the vertical column emission rates of the green line and the Herzberg bands to the atomic oxygen peak density. Global averages for the time period for these data (August 1967 to January 1968), when converted to maximum atomic oxygen densities near 95 km, have a range of 2.0 x 10 to the 11th power/cu cm 2.7 x 10 to the 11th power/cu cm.

Heralded high-efficiency quantum repeater with atomic ensembles assisted by faithful single-photon transmission

PubMed Central

Li, Tao; Deng, Fu-Guo

2015-01-01

Quantum repeater is one of the important building blocks for long distance quantum communication network. The previous quantum repeaters based on atomic ensembles and linear optical elements can only be performed with a maximal success probability of 1/2 during the entanglement creation and entanglement swapping procedures. Meanwhile, the polarization noise during the entanglement distribution process is harmful to the entangled channel created. Here we introduce a general interface between a polarized photon and an atomic ensemble trapped in a single-sided optical cavity, and with which we propose a high-efficiency quantum repeater protocol in which the robust entanglement distribution is accomplished by the stable spatial-temporal entanglement and it can in principle create the deterministic entanglement between neighboring atomic ensembles in a heralded way as a result of cavity quantum electrodynamics. Meanwhile, the simplified parity-check gate makes the entanglement swapping be completed with unity efficiency, other than 1/2 with linear optics. We detail the performance of our protocol with current experimental parameters and show its robustness to the imperfections, i.e., detuning and coupling variation, involved in the reflection process. These good features make it a useful building block in long distance quantum communication. PMID:26502993

Confining the nucleation and overgrowth of Rh to the {111} facets of Pd nanocrystal seeds: the roles of capping agent and surface diffusion.

PubMed

Xie, Shuifen; Peng, Hsin-Chieh; Lu, Ning; Wang, Jinguo; Kim, Moon J; Xie, Zhaoxiong; Xia, Younan

2013-11-06

This article describes a systematic study of the spatially confined growth of Rh atoms on Pd nanocrystal seeds, with a focus on the blocking effect of a surface capping agent and the surface diffusion of adatoms. We initially used Pd cuboctahedrons as the seeds to illustrate the concept and to demonstrate the capabilities of our approach. Because the Pd{100} facets were selectively capped by a layer of chemisorbed Br(–) or I(–) ions, we were able to confine the nucleation and deposition of Rh atoms solely on the {111} facets of a Pd seed. When the synthesis was conducted at a relatively low temperature, the deposition of Rh atoms followed an island growth mode because of the high Rh–Rh interatomic binding energy. We also facilitated the surface diffusion of deposited Rh atoms by increasing the reaction temperature and decreasing the injection rate for the Rh precursor. Under these conditions, the deposition of Rh on the Pd{111} facets was switched to a layered growth mode. We further successfully extended this approach to a variety of other types of Pd polyhedral seeds that contained Pd{111} and Pd{100} facets in different proportions on the surface. As expected, a series of Pd–Rh bimetallic nanocrystals with distinctive elemental distributions were obtained. We could remove the Pd cores through selective chemical etching to generate Rh hollow nanoframes with different types and degrees of porosity. This study clearly demonstrates the importance of facet capping, surface diffusion, and reaction kinetics in controlling the morphologies of bimetallic nanocrystals during a seed-mediated process. It also provides a new direction for the rational design and synthesis of nanocrystals with spatially controlled distributions of elements for a variety of applications.

Multiple coherent light scattering in ultracold rubidium

NASA Astrophysics Data System (ADS)

Kulatunga, P.; Sukenik, C. I.; Havey, M. D.; Kupriyanov, D. V.; Sokolov, I. M.

2001-11-01

We report investigation of multiple coherent light scattering from ^85Rb atoms confined in a magneto-optic trap. In a theoretical study of intensity enhancement of near-resonant backscattered light from cold ^85,87Rb atoms, we consider the dominant mode of double scattering only. Enhancement factors are calculated for all D1 and D2 hyperfine components and for both isotopes. In experimental studies, measurements are made of coherent backscattering of a low-intensity probe beam tuned near the F = 3 - F' = 4 transition in ^85Rb atoms. Polarization of backscattered light is determined by a backscattering polarimeter; the spatial distribution of light intensity is measured by a liquid-nitrogen cooled CCD camera set in the focal plane of the analyzing optics. The instrument has angular resolution of about 100 micro-radians, and a polarization analyzing power of roughly 1000. In this paper we describe the instrument details, including calibration procedures, and progress towards observation of atomic coherent backscattering.

Multiple coherent light scattering in ultracold rubidium

NASA Astrophysics Data System (ADS)

Havey, M. D.; Sukenik, C. I.; Kulatunga, P.; Kupriyanov, D. V.; Sokolov, I. M.

2001-05-01

We report investigation of multiple coherent light scattering from ^85Rb atoms confined in a magneto-optic trap. In a theoretical study of intensity enhancement of near-resonant backscattered light from cold ^85,87Rb atoms, we consider the dominant mode of double scattering only. Enhancement factors are calculated for all D1 and D2 hyperfine components and for both isotopes. In experimental studies, measurements are made of coherent backscattering of a low-intensity probe beam tuned near the F = 3 - F' = 4 transition in ^85Rb atoms. Polarization of backscattered light is determined by a backscattering polarimeter; the spatial distribution of light intensity is measured by a liquid-nitrogen cooled CCD camera set in the focal plane of the analyzing optics. The instrument has angular resolution of about 100 micro-radians, and a polarization analyzing power of roughly 1000. In this paper we describe the instrument details, including calibration procedures, and progress towards observation of atomic coherent backscattering.

Digital holographic tomography method for 3D observation of domain patterns in ferroelectric single crystals

NASA Astrophysics Data System (ADS)

Mokrý, Pavel; Psota, Pavel; Steiger, Kateřina; Václavík, Jan; Vápenka, David; Doleček, Roman; Vojtíšek, Petr; Sládek, Juraj; Lédl, Vít.

2016-11-01

We report on the development and implementation of the digital holographic tomography for the three-dimensio- nal (3D) observations of the domain patterns in the ferroelectric single crystals. Ferroelectric materials represent a group of materials, whose macroscopic dielectric, electromechanical, and elastic properties are greatly in uenced by the presence of domain patterns. Understanding the role of domain patterns on the aforementioned properties require the experimental techniques, which allow the precise 3D measurements of the spatial distribution of ferroelectric domains in the single crystal. Unfortunately, such techniques are rather limited at this time. The most frequently used piezoelectric atomic force microscopy allows 2D observations on the ferroelectric sample surface. Optical methods based on the birefringence measurements provide parameters of the domain patterns averaged over the sample volume. In this paper, we analyze the possibility that the spatial distribution of the ferroelectric domains can be obtained by means of the measurement of the wavefront deformation of the transmitted optical wave. We demonstrate that the spatial distribution of the ferroelectric domains can be determined by means of the measurement of the spatial distribution of the refractive index. Finally, it is demonstrated that the measurements of wavefront deformations generated in ferroelectric polydomain systems with small variations of the refractive index provide data, which can be further processed by means of the conventional tomographic methods.

Spatial Distributions of Metal Atoms During Carbon SWNTs Formation: Measurements and Modelling

NASA Technical Reports Server (NTRS)

Cau, M.; Dorval, N.; Attal-Tretout, B.; Cochon, J. L.; Loiseau, A.; Farhat, S.; Hinkov, I.; Scott, C. D.

2004-01-01

Experiments and modelling have been undertaken to clarify the role of metal catalysts during single-wall carbon nanotube formation. For instance, we wonder whether the metal catalyst is active as an atom, a cluster, a liquid or solid nanoparticle [1]. A reactor has been developed for synthesis by continuous CO2-laser vaporisation of a carbon-nickel-cobalt target in laminar helium flow. The laser induced fluorescence technique [2] is applied for local probing of gaseous Ni, Co and CZ species throughout the hot carbon flow of the target heated up to 3500 K. A rapid depletion of C2 in contrast to the spatial extent of metal atoms is observed in the plume (Fig. 1). This asserts that C2 condenses earlier than Ni and Co atoms.[3, 4]. The depletion is even faster when catalysts are present. It may indicate that an interaction between metal atoms and carbon dimers takes place in the gas as soon as they are expelled from the target surface. Two methods of modelling are used: a spatially I-D calculation developed originally for the arc process [5], and a zero-D time dependent calculation, solving the chemical kinetics along the streamlines [6]. The latter includes Ni cluster formation. The peak of C2 density is calculated close to the target surface where the temperature is the highest. In the hot region, C; is dominant. As the carbon products move away from the target and mix with the ambient helium, they recombine into larger clusters, as demonstrated by the peak of C5 density around 1 mm. The profile of Ni-atom density compares fairly well with the measured one (Fig. 2). The early increase is due to the drop of temperature, and the final decrease beyond 6 mm results from Ni cluster formation at the eutectic temperature (approx.1600 K).

Compact advanced extreme-ultraviolet imaging spectrometer for spatiotemporally varying tungsten spectra from fusion plasmas.

PubMed

Song, Inwoo; Seon, C R; Hong, Joohwan; An, Y H; Barnsley, R; Guirlet, R; Choe, Wonho

2017-09-01

A compact advanced extreme-ultraviolet (EUV) spectrometer operating in the EUV wavelength range of a few nanometers to measure spatially resolved line emissions from tungsten (W) was developed for studying W transport in fusion plasmas. This system consists of two perpendicularly crossed slits-an entrance aperture and a space-resolved slit-inside a chamber operating as a pinhole, which enables the system to obtain a spatial distribution of line emissions. Moreover, a so-called v-shaped slit was devised to manage the aperture size for measuring the spatial resolution of the system caused by the finite width of the pinhole. A back-illuminated charge-coupled device was used as a detector with 2048 × 512 active pixels, each with dimensions of 13.5 × 13.5 μm 2 . After the alignment and installation on Korea superconducting tokamak advanced research, the preliminary results were obtained during the 2016 campaign. Several well-known carbon atomic lines in the 2-7 nm range originating from intrinsic carbon impurities were observed and used for wavelength calibration. Further, the time behavior of their spatial distributions is presented.

Reemission spectra and interference effects at the interaction of multiatomic targets with ultrashort electromagnetic pulses

NASA Astrophysics Data System (ADS)

Matveev, V. I.; Matrasulov, D. U.

2013-01-01

The processes of reemission of ultrashort electromagnetic pulses by linear chains consisting of isolated multielectron atoms have been considered. The developed method makes it possible to accurately take into account the spatial inhomogeneity of the field of an ultrashort pulse and the momenta of photons in reemission processes. The angular distributions of reemission spectra have been obtained for an arbitrary number of atoms in a chain. It has been shown that the interference of the photon emission amplitudes leads to the appearance of characteristic "diffraction" maxima. The results allow standard generalization to the cases of rescattering from two-dimensional (graphene-like) and three-dimensional lattices, as well as to the case of the inclusion of thermal vibrations of the atoms of lattices.

3D atom microscopy in the presence of Doppler shift

NASA Astrophysics Data System (ADS)

Rahmatullah; Chuang, You-Lin; Lee, Ray-Kuang; Qamar, Sajid

2018-03-01

The interaction of hot atoms with laser fields produces a Doppler shift, which can severely affect the precise spatial measurement of an atom. We suggest an experimentally realizable scheme to address this issue in the three-dimensional position measurement of a single atom in vapors of rubidium atoms. A three-level Λ-type atom-field configuration is considered where a moving atom interacts with three orthogonal standing-wave laser fields and spatial information of the atom in 3D space is obtained via an upper-level population using a weak probe laser field. The atom moves with velocity v along the probe laser field, and due to the Doppler broadening the precision of the spatial information deteriorates significantly. It is found that via a microwave field, precision in the position measurement of a single hot rubidium atom can be attained, overcoming the limitation posed by the Doppler shift.

Characterization of Structural and Configurational Properties of DNA by Atomic Force Microscopy.

PubMed

Meroni, Alice; Lazzaro, Federico; Muzi-Falconi, Marco; Podestà, Alessandro

2018-01-01

We describe a method to extract quantitative information on DNA structural and configurational properties from high-resolution topographic maps recorded by atomic force microscopy (AFM). DNA molecules are deposited on mica surfaces from an aqueous solution, carefully dehydrated, and imaged in air in Tapping Mode. Upon extraction of the spatial coordinates of the DNA backbones from AFM images, several parameters characterizing DNA structure and configuration can be calculated. Here, we explain how to obtain the distribution of contour lengths, end-to-end distances, and gyration radii. This modular protocol can be also used to characterize other statistical parameters from AFM topographies.

High-resolution mapping of molecules in an ionic liquid via scanning transmission electron microscopy.

PubMed

Miyata, Tomohiro; Mizoguchi, Teruyasu

2018-03-01

Understanding structures and spatial distributions of molecules in liquid phases is crucial for the control of liquid properties and to develop efficient liquid-phase processes. Here, real-space mapping of molecular distributions in a liquid was performed. Specifically, the ionic liquid 1-Ethyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide (C2mimTFSI) was imaged using atomic-resolution scanning transmission electron microscopy. Simulations revealed network-like bright regions in the images that were attributed to the TFSI- anion, with minimal contributions from the C2mim+ cation. Simple visualization of the TFSI- distribution in the liquid sample was achieved by binarizing the experimental image.

Photoionization microscopy: Hydrogenic theory in semiparabolic coordinates and comparison with experimental results

NASA Astrophysics Data System (ADS)

Kalaitzis, P.; Danakas, S.; Lépine, F.; Bordas, C.; Cohen, S.

2018-05-01

Photoionization microscopy (PM) is an experimental method allowing for high-resolution measurements of the electron current probability density in the case of photoionization of an atom in an external uniform static electric field. PM is based on high-resolution velocity-map imaging and offers the unique opportunity to observe the quantum oscillatory spatial structure of the outgoing electron flux. We present the basic elements of the quantum-mechanical theoretical framework of PM for hydrogenic systems near threshold. Our development is based on the computationally more convenient semiparabolic coordinate system. Theoretical results are first subjected to a quantitative comparison with hydrogenic images corresponding to quasibound states and a qualitative comparison with nonresonant images of multielectron atoms. Subsequently, particular attention is paid on the structure of the electron's momentum distribution transversely to the static field (i.e., of the angularly integrated differential cross-section as a function of electron energy and radius of impact on the detector). Such 2D maps provide at a glance a complete picture of the peculiarities of the differential cross-section over the entire near-threshold energy range. Hydrogenic transverse momentum distributions are computed for the cases of the ground and excited initial states and single- and two-photon ionization schemes. Their characteristics of general nature are identified by comparing the hydrogenic distributions among themselves, as well as with a presently recorded experimental distribution concerning the magnesium atom. Finally, specificities attributed to different target atoms, initial states, and excitation scenarios are also discussed, along with directions of further work.

The multisensor payload 'Structura' for the observation of atmospheric night glows from the ISS board

NASA Astrophysics Data System (ADS)

Krot, Yury; Beliaev, Boris; Katkovsky, Leonid

2016-10-01

Aerospace Research Department of the Institute of Applied Physical Problems at Belarusian State University has developed a prototype of the optical payload intended for a space experiment on the ISS board. The prototype includes four optical modules for the night glows observation, in particular spatial-brightness and spectral characteristics in the altitude range of 80-320 km. Objects of the interest are emitting top layers of the atmosphere including exited OH radicals, atomic and molecular oxygen and sodium layers. The goal of the space experiment is a research of night glows over different regions of the Earth and a connection with natural disasters like earthquakes, cyclones, etc. Two optical modules for spatial distribution of atomic oxygen layers along the altitude consist of input lenses, spectral interferential filters and line CCD detectors. The optical module for registration of exited OH radical emissions is formed from CCD array spectrometer. The payload includes also a panchromatic (400-900 nm) high sensitive imaging camera for observing of the glows general picture. The optical modules of the prototype have been tested and general optical characteristics were determined in laboratory conditions. A solution of an astigmatism reducing of a concave diffraction grating and a method of the second diffraction order correction were applied and improved spectrometer's optical characteristics. Laboratory equipment and software were developed to imitate a dynamic scene of the night glows in laboratory conditions including an imitation of linear spectra and the spatial distribution of emissions.

Measurements of neutral and ion velocity distribution functions in a Hall thruster

NASA Astrophysics Data System (ADS)

Svarnas, Panagiotis; Romadanov, Iavn; Diallo, Ahmed; Raitses, Yevgeny

2015-11-01

Hall thruster is a plasma device for space propulsion. It utilizes a cross-field discharge to generate a partially ionized weakly collisional plasma with magnetized electrons and non-magnetized ions. The ions are accelerated by the electric field to produce the thrust. There is a relatively large number of studies devoted to characterization of accelerated ions, including measurements of ion velocity distribution function using laser-induced fluorescence diagnostic. Interactions of these accelerated ions with neutral atoms in the thruster and the thruster plume is a subject of on-going studies, which require combined monitoring of ion and neutral velocity distributions. Herein, laser-induced fluorescence technique has been employed to study neutral and single-charged ion velocity distribution functions in a 200 W cylindrical Hall thruster operating with xenon propellant. An optical system is installed in the vacuum chamber enabling spatially resolved axial velocity measurements. The fluorescence signals are well separated from the plasma background emission by modulating the laser beam and using lock-in detectors. Measured velocity distribution functions of neutral atoms and ions at different operating parameters of the thruster are reported and analyzed. This work was supported by DOE contract DE-AC02-09CH11466.

Spatial EPR entanglement in atomic vapor quantum memory

NASA Astrophysics Data System (ADS)

Parniak, Michal; Dabrowski, Michal; Wasilewski, Wojciech

Spatially-structured quantum states of light are staring to play a key role in modern quantum science with the rapid development of single-photon sensitive cameras. In particular, spatial degree of freedom holds a promise to enhance continous-variable quantum memories. Here we present the first demonstration of spatial entanglement between an atomic spin-wave and a photon measured with an I-sCMOS camera. The system is realized in a warm atomic vapor quantum memory based on rubidium atoms immersed in inert buffer gas. In the experiment we create and characterize a 12-dimensional entangled state exhibiting quantum correlations between a photon and an atomic ensemble in position and momentum bases. This state allows us to demonstrate the Einstein-Podolsky-Rosen paradox in its original version, with an unprecedented delay time of 6 μs between generation of entanglement and detection of the atomic state.

Modular injector integrated linear apparatus with motion profile optimization for spatial atomic layer deposition.

PubMed

Wang, Xiaolei; Li, Yun; Lin, Jilong; Shan, Bin; Chen, Rong

2017-11-01

A spatial atomic layer deposition apparatus integrated with a modular injector and a linear motor has been designed. It consists of four parts: a precursor delivery manifold, a modular injector, a reaction zone, and a driving unit. An injector with multi-layer structured channels is designed to help improve precursor distribution homogeneity. During the back and forth movement of the substrate at high speed, the inertial impact caused by jerk and sudden changes of acceleration will degrade the film deposition quality. Such residual vibration caused by inertial impact will aggravate the fluctuation of the gap distance between the injector and the substrate in the deposition process. Thus, an S-curve motion profile is implemented to reduce the large inertial impact, and the maximum position error could be reduced by 84%. The microstructure of the film under the S-curve motion profile shows smaller root-mean-square and scanning voltage amplitude under an atomic force microscope, which verifies the effectiveness of the S-curve motion profile in reducing the residual vibration and stabilizing the gap distance between the injector and the substrate. The film deposition rate could reach 100 nm/min while maintaining good uniformity without obvious periodic patterns on the surface.

Modular injector integrated linear apparatus with motion profile optimization for spatial atomic layer deposition

NASA Astrophysics Data System (ADS)

Wang, Xiaolei; Li, Yun; Lin, Jilong; Shan, Bin; Chen, Rong

2017-11-01

A spatial atomic layer deposition apparatus integrated with a modular injector and a linear motor has been designed. It consists of four parts: a precursor delivery manifold, a modular injector, a reaction zone, and a driving unit. An injector with multi-layer structured channels is designed to help improve precursor distribution homogeneity. During the back and forth movement of the substrate at high speed, the inertial impact caused by jerk and sudden changes of acceleration will degrade the film deposition quality. Such residual vibration caused by inertial impact will aggravate the fluctuation of the gap distance between the injector and the substrate in the deposition process. Thus, an S-curve motion profile is implemented to reduce the large inertial impact, and the maximum position error could be reduced by 84%. The microstructure of the film under the S-curve motion profile shows smaller root-mean-square and scanning voltage amplitude under an atomic force microscope, which verifies the effectiveness of the S-curve motion profile in reducing the residual vibration and stabilizing the gap distance between the injector and the substrate. The film deposition rate could reach 100 nm/min while maintaining good uniformity without obvious periodic patterns on the surface.

Observation of copper atoms behavior in a vacuum arc discharge using laser spectroscopy

NASA Astrophysics Data System (ADS)

Sung, Y. M.; Hayashi, Y.; Okraku-Yirenkyi, Y.; Otsubo, M.; Honda, C.; Sakoda, T.

2003-01-01

In order to investigate the most important parameters influencing the breaking characteristic of a vacuum circuit breaker (VCB), the behavior of copper (Cu) particles emitted from electrodes designed as an imitation of a vacuum valve of the VCB was observed. The temporal-spatial intensity distributions due to Cu particles in an excited state or a neutral state were measured using the laser induced fluorescence (LIF) technique and a charge coupled device camera attached with a special filter. The diffusion velocity of a Cu atom was also investigated by evaluating a Doppler shift of the LIF signal. The results showed that most Cu particles were emitted from the anode and were in an excited state or an ionized state during an arc discharge. Also, Cu particles were distributed between electrodes even after the discharge chocked, and its diffusion velocity in the direction of the cathode from the anode was about 2.6 km/s.

Resonance fluorescence microscopy via three-dimensional atom localization

NASA Astrophysics Data System (ADS)

Panchadhyayee, Pradipta; Dutta, Bibhas Kumar; Das, Nityananda; Mahapatra, Prasanta Kumar

2018-02-01

A scheme is proposed to realize three-dimensional (3D) atom localization in a driven two-level atomic system via resonance fluorescence. The field arrangement for the atom localization involves the application of three mutually orthogonal standing-wave fields and an additional traveling-wave coupling field. We have shown the efficacy of such field arrangement in tuning the spatially modulated resonance in all directions. Under different parametric conditions, the 3D localization patterns originate with various shapes such as sphere, sheets, disk, bowling pin, snake flute, flower vase. High-precision localization is achieved when the radiation field detuning equals twice the combined Rabi frequencies of the standing-wave fields. Application of a traveling-wave field of suitable amplitude at optimum radiation field detuning under symmetric standing-wave configuration leads to 100% detection probability even in sub-wavelength domain. Asymmetric field configuration is also taken into consideration to exhibit atom localization with appreciable precision compared to that of the symmetric case. The momentum distribution of the localized atoms is found to follow the Heisenberg uncertainty principle under the validity of Raman-Nath approximation. The proposed field configuration is suitable for application in the study of atom localization in an optical lattice arrangement.

Mössbauer spectroscopy and the structure of interfaces on the atomic scale in metallic nanosystems

NASA Astrophysics Data System (ADS)

Uzdin, V. M.

2007-10-01

A microscopic model of the formation of an alloy on the interface has been constructed, which takes into account the exchange of atoms with the substrate atoms and the “floating up” of the latter into the upper layers in the process of epitaxial growth. The self-consistent calculations of atomic magnetic moments of spatially inhomogeneous structures obtained in this case are used for the interpretation of data of Mössbauer spectroscopy. The proposed scenario of mixing leads to the appearance of a preferred direction in the sample and the asymmetry of interfaces in the direction of epitaxial growth. In the multilayer M 1/ M 2 ( M 1,2 = Fe, Cr, V, Sn, or Ag) systems, this asymmetry makes it possible to understand the difference in the magnetic behavior of M 1-on M 2 and M 2-on- M 1 interfaces which has been observed experimentally. The correlation between the calculated distributions of magnetic moments and the measured distributions of hyperfine fields at iron atoms confirms the assumption about their proportionality for a broad class of metallic multilayer systems. However, a linear decrease of hyperfine fields at the 57Fe nuclei with increasing number of impurity atoms among the nearest and next-nearest neighbors is not confirmed for Fe/Cr systems, although is correct in Fe/V superlattices. In the Fe/Cr multilayer systems, the experimentally measured value of magnetoresistance grows with increasing fraction of the “floated up” atoms of 57Fe. Thus, it is the bulk scattering by impurity atoms that gives the basic contribution to the effect of giant magnetoresistance. The problem of the influence of mixing and adsorption of hydrogen in the vanadium layers on the state of the spin-density wave in V/Cr superlattices has been considered.

Experimental evaluation of premixing-prevaporizing fuel injection concepts for a gas turbine catalytic combustor

NASA Technical Reports Server (NTRS)

Tacina, R. R.

1977-01-01

Experiments were performed to evolve and evaluate a premixing-prevaporizing fuel system to be used with a catalytic combustor for possible application in an automotive gas turbine. Spatial fuel distribution and degree of vaporization were measured using Jet A fuel. Three types of air blast injectors, an air assist nozzle and a simplex pressure atomizer were tested. Air swirlers with vane angles up to 30 deg were used to improve the spatial fuel distribution. The work was done in a 12-cm (4.75-in.) diameter tubular rig. Test conditions were: a pressure of 0.3 and 0.5 MPa (3 and 5 atm), inlet air temperatures up to 800 K (980 F), velocity of 20 m/sec (66 ft/sec) and fuel-air ratios of 0.01 and 0.025. Uniform spatial fuel distributions that were within plus or minus 10 percent of the mean were obtained. Complete vaporization of the fuel was achieved with air blast configurations at inlet air temperatures of 550 K (530 F) and higher. The total pressure loss was less than 0.5 percent for configurations without air swirlers and less than 1 percent for configurations with a 30 deg vane angle air swirler.

Spatial distribution of intra-molecular water and polymeric components in polyelectrolyte dendrimers revealed by small angle scattering investigations

NASA Astrophysics Data System (ADS)

Wu, Bin; Li, Xin; Do, Changwoo; Kim, Tae-Hwan; Shew, Chwen-Yang; Liu, Yun; Yang, Jun; Hong, Kunlun; Porcar, Lionel; Chen, Chun-Yu; Liu, Emily L.; Smith, Gregory S.; Herwig, Kenneth W.; Chen, Wei-Ren

2011-10-01

An experimental scheme using contrast variation small angle neutron scattering technique is developed to investigate the structural characteristics of amine-terminated poly(amidoamine) dendrimers solutions. Using this methodology, we present the dependence of both the intra-dendrimer water and the polymer distribution on molecular protonation, which can be precisely adjusted by tuning the pH of the solution. Assuming spherical symmetry of the spatial arrangement of the constituent components of dendrimer, and that the atomic ratio of hydrogen-to-deuterium for the solvent residing within the cavities of dendrimer is identical to that for the solvent outside the dendrimer, the intra-dendrimer water distribution along the radial direction is determined. Our result clearly reveals an outward relocation of the peripheral groups, as well as enhanced intra-dendrimer hydration, upon increasing the molecular protonation and, therefore, allows the determination of segmental backfolding in a quantitative manner. The connection between these charge-induced structural changes and our recently observed progressively active segmental dynamics is also discussed.

Spatial distribution and historical trends of heavy metals in the sediments of petroleum producing regions of the Beibu Gulf, China.

PubMed

Yang, Jichao; Wang, Weiguo; Zhao, Mengwei; Chen, Bin; Dada, Olusegun A; Chu, Zhihui

2015-02-15

The concentrations of As, Sb, Hg, Pb, Cd, and Ba in the surface and core sediments of the oil and gas producing region of the Beibu Gulf were measured by Inductively Coupled Plasma Optical Emission Spectrometry (ICP-OES), Inductively Coupled Plasma Mass Spectrometry (ICP-MS) and Atomic Fluorescence Spectrometry (AFS), and the spatial distribution and historical trends of these elements are discussed. The results show that the concentrations of these elements are highest near the platforms. The results of Enrichment Factor (EF) and Potential Ecological Risk Index (PERI) also reveal significantly higher enrichment around the platforms, which imply that the offshore petroleum production was the cause of the unusual distribution and severe enrichment of these elements in the study area. The environment around the platforms was highly laden with toxic elements, thereby representing a very high ecological risk to the environment of the study area. Copyright © 2014 Elsevier Ltd. All rights reserved.

Laser-Induced Breakdown Spectroscopy (LIBS) for the Measurement of Spatial Structures and Fuel Distribution in Flames.

PubMed

Kotzagianni, Maria; Kakkava, Eirini; Couris, Stelios

2016-04-01

Laser-induced breakdown spectroscopy (LIBS) is used for the mapping of local structures (i.e., reactants and products zones) and for the determination of fuel distribution by means of the local equivalence ratio ϕ in laminar, premixed air-hydrocarbon flames. The determination of laser threshold energy to induce breakdown in the different zones of flames is employed for the identification and demarcation of the local structures of a premixed laminar flame, while complementary results about fuel concentration were obtained from measurements of the cyanogen (CN) band Β(2)Σ(+)--Χ(2)Σ(+), (Δυ = 0) at 388.3 nm and the ratio of the atomic lines of hydrogen (Hα) and oxygen (O(I)), Hα/O. The combination of these LIBS-based methods provides a relatively simple to use, rapid, and accurate tool for online and in situ combustion diagnostics, providing valuable information about the fuel distribution and the spatial variations of the local structures of a flame. © The Author(s) 2016.

Quantum Hall effect with small numbers of vortices in Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Byrnes, Tim; Dowling, Jonathan P.

2015-08-01

When vortices are displaced in Bose-Einstein condensates (BECs), the Magnus force gives the system a momentum transverse in the direction to the displacement. We show that BECs in long channels with vortices exhibit a quantization of the current response with respect to the spatial vortex distribution. The quantization originates from the well-known topological property of the phase around a vortex; it is an integer multiple of 2 π . In a way similar to that of the integer quantum Hall effect, the current along the channel is related to this topological phase and can be extracted from two experimentally measurable quantities: the total momentum of the BEC and the spatial distribution. The quantization is in units of m /2 h , where m is the mass of the atoms and h is Planck's constant. We derive an exact vortex momentum-displacement relation for BECs in long channels under general circumstances. Our results present the possibility that the configuration described here can be used as a novel way of measuring the mass of the atoms in the BEC using a topological invariant of the system. If an accurate determination of the plateaus are experimentally possible, this gives the possibility of a topological quantum mass standard and precise determination of the fine structure constant.

The Cygnus OB2 Star Forming Complex

NASA Astrophysics Data System (ADS)

Rybarczyk, Daniel R.; Bania, Thomas

2018-01-01

Almost all astrophysical systems—from planets to stars to supernovae to entire galaxies—are impacted by the process of star formation. The brightest, most massive stars (OB stars) form in hot young clusters called OB associations. Cygnus OB2 is an OB association containing over 160 OB stars, making it one of the largest in the Milky Way Galaxy. At a distance of less than 1.5 kpc, its proximity to the Sun makes it optimal for assessing the process of Galactic star formation and its implications for stellar evolution, Galactic structure, and Galactic chemical evolution. Using existing data sets, we derive comprehensive maps of the distribution of thermal continuum, atomic, and molecular emission from the interstellar gas in Cyg OB2. The thermal continuum emission stems from the plasma ionized by OB stars. The atomic gas is probed by emission from atomic hydrogen, HI, at 21 cm wavelength. The molecular gas is traced by emission from the CO molecule which is a proxy for molecular hydrogen, H2. We combine these atomic and molecular data to derive a map of the total proton column density distribution in Cyg OB2. We also analyze the velocity fields of the OB stars, the atomic and molecular hydrogen gas, and the HII regions' radio recombination emission. As expected, we find HII regions to be spatially coincident with zones of higher cloud density. Surrounding the greatest concentration of OB stars is a cavity in the radio continuum and CO emission. This results from shock waves produced by the combined action of the high HII region pressure and winds from the OB stars. Such a distribution implies that Cyg OB2 is old enough to have evolved to this state.

Mirrorless Optical Parametric Oscillation with Tunable Threshold in Cold Atoms.

PubMed

Mei, Yefeng; Guo, Xianxin; Zhao, Luwei; Du, Shengwang

2017-10-13

We report the demonstration of a mirrorless optical parametric oscillator with a tunable threshold in laser-cooled atoms with four-wave mixing (FWM) using electromagnetically induced transparency. Driven by two classical laser beams, the generated Stokes and anti-Stokes fields counterpropagate and build up efficient intrinsic feedback through the nonlinear FWM process. This feedback does not involve any cavity or spatially distributed microstructures. We observe the transition of photon correlation properties from the biphoton quantum regime (below the threshold) to the oscillation regime (above the threshold). The pump threshold can be tuned by varying the operating parameters. We achieve the oscillation with a threshold as low as 15  μW.

Observation of anisotropic interactions between metastable atoms and target molecules by two-dimensional collisional ionization electron spectroscopy

NASA Astrophysics Data System (ADS)

Kishimoto, Naoki; Ohno, Koichi

Excited metastable atoms colliding with target molecules can sensitively probe outer properties of molecules by chemi-ionization (Penning ionization) from molecular orbitals in the outer region, since metastable atoms cannot penetrate into the repulsive interaction wall around the molecules. By means of two-dimensional measurements using kinetic energy analysis of electrons combined with a velocity-resolved metastable beam, one can obtain information on the anisotropic interaction between the colliding particles without any control of orientation or alignment of target molecules. We have developed a classical trajectory method to calculate the collision energy dependence of partial ionization cross-sections (CEDPICS) on the anisotropic interaction potential energy surface, which has enabled us to study stereodynamics between metastable atoms and target molecules as well as the spatial distribution of molecular orbitals and electron ejection functions which have a relation with entrance and exit channels of the reaction. Based on the individual CEDPICS, the electronic structure of molecules can also be elucidated.

Mapping atomic motions with ultrabright electrons: towards fundamental limits in space-time resolution.

PubMed

Manz, Stephanie; Casandruc, Albert; Zhang, Dongfang; Zhong, Yinpeng; Loch, Rolf A; Marx, Alexander; Hasegawa, Taisuke; Liu, Lai Chung; Bayesteh, Shima; Delsim-Hashemi, Hossein; Hoffmann, Matthias; Felber, Matthias; Hachmann, Max; Mayet, Frank; Hirscht, Julian; Keskin, Sercan; Hada, Masaki; Epp, Sascha W; Flöttmann, Klaus; Miller, R J Dwayne

2015-01-01

The long held objective of directly observing atomic motions during the defining moments of chemistry has been achieved based on ultrabright electron sources that have given rise to a new field of atomically resolved structural dynamics. This class of experiments requires not only simultaneous sub-atomic spatial resolution with temporal resolution on the 100 femtosecond time scale but also has brightness requirements approaching single shot atomic resolution conditions. The brightness condition is in recognition that chemistry leads generally to irreversible changes in structure during the experimental conditions and that the nanoscale thin samples needed for electron structural probes pose upper limits to the available sample or "film" for atomic movies. Even in the case of reversible systems, the degree of excitation and thermal effects require the brightest sources possible for a given space-time resolution to observe the structural changes above background. Further progress in the field, particularly to the study of biological systems and solution reaction chemistry, requires increased brightness and spatial coherence, as well as an ability to tune the electron scattering cross-section to meet sample constraints. The electron bunch density or intensity depends directly on the magnitude of the extraction field for photoemitted electron sources and electron energy distribution in the transverse and longitudinal planes of electron propagation. This work examines the fundamental limits to optimizing these parameters based on relativistic electron sources using re-bunching cavity concepts that are now capable of achieving 10 femtosecond time scale resolution to capture the fastest nuclear motions. This analysis is given for both diffraction and real space imaging of structural dynamics in which there are several orders of magnitude higher space-time resolution with diffraction methods. The first experimental results from the Relativistic Electron Gun for Atomic Exploration (REGAE) are given that show the significantly reduced multiple electron scattering problem in this regime, which opens up micron scale systems, notably solution phase chemistry, to atomically resolved structural dynamics.

Hydrogen atom kinetics in capacitively coupled plasmas

NASA Astrophysics Data System (ADS)

Nunomura, Shota; Katayama, Hirotaka; Yoshida, Isao

2017-05-01

Hydrogen (H) atom kinetics has been investigated in capacitively coupled very high frequency (VHF) discharges at powers of 16-780 mW cm-2 and H2 gas pressures of 0.1-2 Torr. The H atom density has been measured using vacuum ultra violet absorption spectroscopy (VUVAS) with a micro-discharge hollow cathode lamp as a VUV light source. The measurements have been performed in two different electrode configurations of discharges: conventional parallel-plate diode and triode with an intermediate mesh electrode. We find that in the triode configuration, the H atom density is strongly reduced across the mesh electrode. The H atom density varies from ˜1012 cm-3 to ˜1010 cm-3 by crossing the mesh with 0.2 mm in thickness and 36% in aperture ratio. The fluid model simulations for VHF discharge plasmas have been performed to study the H atom generation, diffusion and recombination kinetics. The simulations suggest that H atoms are generated in the bulk plasma, by the electron impact dissociation (e + H2 \\to e + 2H) and the ion-molecule reaction (H2 + + H2 \\to {{{H}}}3+ + H). The diffusion of H atoms is strongly limited by a mesh electrode, and thus the mesh geometry influences the spatial distribution of the H atoms. The loss of H atoms is dominated by the surface recombination.

ATom observations of new particle formation in the tropical upper troposphere. The role of convection and nucleation mechanisms

NASA Astrophysics Data System (ADS)

Kupc, A.; Williamson, C.; Hodshire, A. L.; Pierce, J. R.; Ray, E. A.; Froyd, K. D.; Richardson, M.; Weinzierl, B.; Dollner, M.; Erdesz, F.; Bui, T. V.; Diskin, G. S.; Brock, C. A.

2017-12-01

Measurements of size distributions during the Atmospheric Tomography Mission (ATom) reveal high number concentrations (>>1000 cm-3) of nucleation mode particles at high altitudes in the tropics and subtropics under low condensation sink conditions and are associated with upwelling in convective clouds. The broad spatial extent of these newly formed particles shows that the upper free troposphere (FT) of the tropics and subtropics is a globally significant source. In this study, we investigate the link between convection and new particle formation (NPF) by exploring the processes that govern NPF and growth in the tropical and subtropical FT of the Pacific and Atlantic Oceans. We use measurements of the size distributions made with a suite of fast-response instruments on board of a NASA DC-8 aircraft during ATom mission. ATom maps the remote atmosphere over the Pacific and Atlantic basins ( 80 °N and 65 °S) in continuous ascents and descents (0.2 and 13 km), providing the latitudinal and vertical information on the greenhouse gases, reactive and tracer species and aerosol properties and their seasonal variability. We couple measurements of size distributions between 0.003 and 4.8 µm and potential aerosol precursor vapors measured on ATom (August 2016 and February 2017) with calculated air mass back trajectories and the TwO-Moment Aerosol Sectional (TOMAS) box model. The back trajectories identify air masses potentially influenced by recent convection. We then use TOMAS to model particle nucleation, condensation and coagulation along that trajectory to investigate the link between convection and NPF. Through TOMAS, we explore the influence of different nucleation mechanisms (such as binary, ternary or the one with organics) and gas-phase aerosol precursors (such as sulfur dioxide) on observed particle size distributions. We discuss similarities and differences in NPF over the Pacific and Atlantic Oceans and their relationship to convection, examine particle composition and volatility from in situ measurements, and examine which nucleation schemes are most consistent with the observations.

Is there a Stobbs factor in atomic-resolution STEM-EELS mapping?

PubMed

Xin, Huolin L; Dwyer, Christian; Muller, David A

2014-04-01

Recent work has convincingly argued that the Stobbs factor-disagreement in contrast between simulated and experimental atomic-resolution images-in ADF-STEM imaging can be accounted for by including the incoherent source size in simulation. However, less progress has been made for atomic-resolution STEM-EELS mapping. Here we have performed carefully calibrated EELS mapping experiments of a [101] DyScO3 single-crystal specimen, allowing atomic-resolution EELS signals to be extracted on an absolute scale for a large range of thicknesses. By simultaneously recording the elastic signal, also on an absolute scale, and using it to characterize the source size, sample thickness and inelastic mean free path, we eliminate all free parameters in the simulation of the core-loss signals. Coupled with double channeling simulations that incorporate both core-loss inelastic scattering and dynamical elastic and thermal diffuse scattering, the present work enables a close scrutiny of the scattering physics in the inelastic channel. We found that by taking into account the effective source distribution determined from the ADF images, both the absolute signal and the contrast in atomic-resolution Dy-M5 maps can be closely reproduced by the double-channeling simulations. At lower energy losses, discrepancies are present in the Sc-L2,3 and Dy-N4,5 maps due to the energy-dependent spatial distribution of the background spectrum, core-hole effects, and omitted complexities in the final states. This work has demonstrated the possibility of using quantitative STEM-EELS for element-specific column-by-column atom counting at higher energy losses and for atomic-like final states, and has elucidated several possible improvements for future theoretical work. Copyright © 2014 Elsevier B.V. All rights reserved.

Excited atoms in the free-burning Ar arc: treatment of the resonance radiation

NASA Astrophysics Data System (ADS)

Golubovskii, Yu; Kalanov, D.; Gortschakow, S.; Baeva, M.; Uhrlandt, D.

2016-11-01

The collisional-radiative model with an emphasis on the accurate treatment of the resonance radiation transport is developed and applied to the free-burning Ar arc plasma. This model allows for analysis of the influence of resonance radiation on the spatial density profiles of the atoms in different excited states. The comparison of the radial density profiles obtained using an effective transition probability approximation with the results of the accurate solution demonstrates the distinct impact of transport on the profiles and absolute densities of the excited atoms, especially in the arc fringes. The departures from the Saha-Boltzmann equilibrium distributions, caused by different radiative transitions, are analyzed. For the case of the DC arc, the local thermodynamic equilibrium (LTE) state holds close to the arc axis, while strong deviations from the equilibrium state on the periphery occur. In the intermediate radial positions the conditions of partial LTE are fulfilled.

Deep eutectic solvents: similia similibus solvuntur?

PubMed

Zahn, Stefan

2017-02-01

Deep eutectic solvents, mixtures of an organic compound and a salt with a deep eutectic melting point, are promising cheap and eco-friendly alternatives to ionic liquids. Ab initio molecular dynamics simulations of reline, a mixture consisting of urea and choline chloride, reveal that not solely hydrogen bonds allow similar interactions between both constituents. The chloride anion and the oxygen atom of urea also show a similar spatial distribution close to the cationic core of choline due to a similar charge located on both atoms. As a result of multiple similar interactions, clusters migrating together cannot be observed in reline which supports the hypothesis similia similibus solvuntur. In contrast to previous suggestions, the interaction of the hydroxyl group of choline with a hydrogen bond acceptor is overall rigid. Fast hydrogen bond acceptor dynamics is facilitated by the hydrogen atoms in the trans position to the carbonyl group of urea which contributes to the low melting point of reline.

Open-orbit theory of photoionization microscopy on nonhydrogenic atoms

NASA Astrophysics Data System (ADS)

Liu, F. L.; Zhao, L. B.

2017-04-01

Semiclassical open-orbit theory (OOT), previously developed to study photoionization of hydrogenic atoms in a uniform electric field [L. B. Zhao and J. B. Delos, Phys. Rev. A 81, 053417 (2010), 10.1103/PhysRevA.81.053417], has been generalized to describe the propagation of outgoing electron waves to macroscopic distances from a nonhydrogenic atomic source. The generalized OOT has been applied to calculate spatial distributions of electron probability densities and current densities, produced due to photoionization for lithium in a uniform electric field. The obtained results are compared with those from the fully quantum-mechanical coupled-channel theory (CCT). The excellent agreement between the CCT and OOT confirms the reliability of the generalized OOT. Comparison is also made with theoretical calculations from the wave-packet propagation technique and the recent photoionization microscopy experiment. The existing difference between theory and experiment is discussed.

Laser absorption spectroscopy for measurement of He metastable atoms of a microhollow cathode plasma

NASA Astrophysics Data System (ADS)

Ueno, Keisuke; Kamebuchi, Kenta; Kakutani, Jiro; Matsuoka, Leo; Namba, Shinichi; Fujii, Keisuke; Shikama, Taiichi; Hasuo, Masahiro

2018-01-01

We generated a 0.3-mm-diameter DC, hollow-cathode helium discharge in a gas pressure range of 10-80 kPa. In discharge plasmas, we measured position-dependent laser absorption spectra for helium 23S1-23P0 transition with a spatial resolution of 55 µm. From the results of the analysis of the measured spectra using Voigt functions and including both the Doppler and collision broadening, we produced two-dimensional maps of the metastable 23S1 atomic densities and gas temperatures of the plasmas. We found that, at all pressures, the gas temperatures were approximately uniform in space with values in the range of 400-1500 K and the 23S1 atomic densities were ˜1019 m-3. We also found that the two-dimensional density distribution profiles became ring-shaped at high gas pressures, which is qualitatively consistent with the two-dimensional fluid simulation results.

Effect of the intra-layer potential distributions and spatial currents on the performance of graphene SymFETs

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hasan, Mehdi; Sensale-Rodriguez, Berardi, E-mail: berardi.sensale@utah.edu

2015-09-15

In this paper, a two-dimensional (2-D) model for a graphene symmetric field effect transistor (SymFET), which considers (a) the intra-graphene layer potential distributions and (b) the internal current flows through the device, is presented and discussed. The local voltages along the graphene electrodes as well as the current-voltage characteristics of the device are numerically calculated based on a single-particle tunneling model. Our numerical results show that: (i) when the tunneling current is small, due to either a large tunneling thickness (≥ 2 atomic layers of BN) or a small coherence length, the voltage distributions along the graphene electrodes have almostmore » zero variations upon including these distributed effects, (ii) when the tunnel current is large, due to either a small tunneling thickness (∼ 1 atomic layer of BN) or due to a large coherence length, the local voltage distributions along the graphene electrodes become appreciable and the device behavior deviates from that predicted by a 1-D approximation. These effects, which are not captured in one-dimensional SymFET models, can provide a better understanding about the electron dynamics in the device and might indicate potential novel applications for this proposed device.« less

Complete characterization of the constrained geometry bimolecular reaction O(1D)+N2O-->NO+NO by three-dimensional velocity map imaging

NASA Astrophysics Data System (ADS)

Gödecke, Niels; Maul, Christof; Chichinin, Alexey I.; Kauczok, Sebastian; Gericke, Karl-Heinz

2009-08-01

The bimolecular reaction O(D1)+N2O→NO+NO was photoinitiated in the (N2O)2 dimer at a wavelength of 193 nm and was investigated by three-dimensional (3D) velocity map imaging. State selective 3D momentum vector distributions were monitored and analyzed. For the first time, kinetic energy resolution and stereodynamic information about the reaction under constrained geometry conditions is available. Directly observable NO products exhibit moderate vibrational excitation and are rotationally and translationally cold. Speed and spatial distributions suggest a pronounced backward scattering of the observed products with respect to the direction of motion of the O(D1) atom. Forward scattered partner products, which are not directly detectable are also translationally cold, but carry very large internal energy as vibration or rotation. The results confirm and extend previous studies on the complex initiated reaction system. The restricted geometry of the van der Waals complex seems to favor an abstraction reaction of the terminal nitrogen atom by the O(D1) atom, which is in striking contrast to the behavior observed for the unrestricted gas phase reaction under bulk conditions.

Statistical dielectronic recombination rates for multielectron ions in plasma

NASA Astrophysics Data System (ADS)

Demura, A. V.; Leont'iev, D. S.; Lisitsa, V. S.; Shurygin, V. A.

2017-10-01

We describe the general analytic derivation of the dielectronic recombination (DR) rate coefficient for multielectron ions in a plasma based on the statistical theory of an atom in terms of the spatial distribution of the atomic electron density. The dielectronic recombination rates for complex multielectron tungsten ions are calculated numerically in a wide range of variation of the plasma temperature, which is important for modern nuclear fusion studies. The results of statistical theory are compared with the data obtained using level-by-level codes ADPAK, FAC, HULLAC, and experimental results. We consider different statistical DR models based on the Thomas-Fermi distribution, viz., integral and differential with respect to the orbital angular momenta of the ion core and the trapped electron, as well as the Rost model, which is an analog of the Frank-Condon model as applied to atomic structures. In view of its universality and relative simplicity, the statistical approach can be used for obtaining express estimates of the dielectronic recombination rate coefficients in complex calculations of the parameters of the thermonuclear plasmas. The application of statistical methods also provides information for the dielectronic recombination rates with much smaller computer time expenditures as compared to available level-by-level codes.

The Herschel Planetary Nebula Survey (HerPlaNS). I. Data overview and analysis demonstration with NGC 6781

NASA Astrophysics Data System (ADS)

Ueta, T.; Ladjal, D.; Exter, K. M.; Otsuka, M.; Szczerba, R.; Siódmiak, N.; Aleman, I.; van Hoof, P. A. M.; Kastner, J. H.; Montez, R.; McDonald, I.; Wittkowski, M.; Sandin, C.; Ramstedt, S.; De Marco, O.; Villaver, E.; Chu, Y.-H.; Vlemmings, W.; Izumiura, H.; Sahai, R.; Lopez, J. A.; Balick, B.; Zijlstra, A.; Tielens, A. G. G. M.; Rattray, R. E.; Behar, E.; Blackman, E. G.; Hebden, K.; Hora, J. L.; Murakawa, K.; Nordhaus, J.; Nordon, R.; Yamamura, I.

2014-05-01

Context. This is the first of a series of investigations into far-IR characteristics of 11 planetary nebulae (PNe) under the Herschel Space Observatory open time 1 program, Herschel Planetary Nebula Survey (HerPlaNS). Aims: Using the HerPlaNS data set, we look into the PN energetics and variations of the physical conditions within the target nebulae. In the present work, we provide an overview of the survey, data acquisition and processing, and resulting data products. Methods: We performed (1) PACS/SPIRE broadband imaging to determine the spatial distribution of the cold dust component in the target PNe and (2) PACS/SPIRE spectral-energy-distribution and line spectroscopy to determine the spatial distribution of the gas component in the target PNe. Results: For the case of NGC 6781, the broadband maps confirm the nearly pole-on barrel structure of the amorphous carbon-rich dust shell and the surrounding halo having temperatures of 26-40 K. The PACS/SPIRE multiposition spectra show spatial variations of far-IR lines that reflect the physical stratification of the nebula. We demonstrate that spatially resolved far-IR line diagnostics yield the (Te, ne) profiles, from which distributions of ionized, atomic, and molecular gases can be determined. Direct comparison of the dust and gas column mass maps constrained by the HerPlaNS data allows to construct an empirical gas-to-dust mass ratio map, which shows a range of ratios with the median of 195 ± 110. The present analysis yields estimates of the total mass of the shell to be 0.86 M⊙, consisting of 0.54 M⊙ of ionized gas, 0.12 M⊙ of atomic gas, 0.2 M⊙ of molecular gas, and 4 × 10-3 M⊙ of dust grains. These estimates also suggest that the central star of about 1.5 M⊙ initial mass is terminating its PN evolution onto the white dwarf cooling track. Conclusions: The HerPlaNS data provide various diagnostics for both the dust and gas components in a spatially resolved manner. In the forthcoming papers of the HerPlaNS series we will explore the HerPlaNS data set fully for the entire sample of 11 PNe. Herschel is an ESA Space Observatory with science instruments provided by European-led Principal Investigator consortia and with important participation from NASA.Table 2 and appendices are available in electronic form at http://www.aanda.org

Relative Energy Shift of a Two-Level Atom in a Cylindrical Spacetime

NASA Astrophysics Data System (ADS)

Zhang, Jia-Lin

2012-11-01

We investigate the evolution dynamics of a two-level atom system interacting with the massless scalar field in a Cylindrical spacetime. We find that both the energy shifts of ground state and excited state can be separated into two parts due to the vacuum fluctuations. One is the corresponding energy shift for a rest atom in four-dimensional Minkowski space without spatial compactification, the other is just the modification of the spatial compactified periodic length. It will reveal that the influence of the presence of one spatial compactified dimension can not be neglected in Lamb shift as the relative energy level shift of an atom.

Pickup Ion Velocity Distributions at Titan: Effects of Spatial Gradients

NASA Technical Reports Server (NTRS)

Hartle, R. E.; Sittler, E. C.

2004-01-01

The principle source of pickup ions at Titan is its neutral exosphere, extending well above the ionopause into the magnetosphere of Saturn or the solar wind, depending on the moon's orbital position. Thermal and nonthermal processes in the thermosphere generate the distribution of neutral atoms and molecules in the exosphere. The combination of these processes and the range of mass numbers, 1 to over 28, contribute to an exospheric source structure that produces pickup ions with gyroradii that are much larger or smaller than the corresponding scale heights of their neutral sources. The resulting phase space distributions are dependent on the spatial structure of the exosphere as well as that of the magnetic field and background plasma. When the pickup ion gyroradius is less than the source gas scale height, the pickup ion velocity distribution is characterized by a sharp cutoff near the maximum speed, which is twice that of the ambient plasma times the sine of the angle between the magnetic field and the flow velocity. This was the case for pickup H(sup +) ions identified during the Voyager 1 flyby. In contrast, as the gyroradius becomes much larger than the scale height, the peak of the velocity distribution in the source region recedes from the maximum speed. Iri addition, the amplitude of the distribution near the maximum speed decreases. These more beam like distributions of heavy ions were not observed from Voyager 1 , but should be observable by more sensitive instruments on future spacecraft, including Cassini. The finite gyroradius effects in the pickup ion velocity distributions are studied by including in the analysis the possible range of spatial structures in the neutral exosphere and background plasma.

Learning surface molecular structures via machine vision

NASA Astrophysics Data System (ADS)

Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V.

2017-08-01

Recent advances in high resolution scanning transmission electron and scanning probe microscopies have allowed researchers to perform measurements of materials structural parameters and functional properties in real space with a picometre precision. In many technologically relevant atomic and/or molecular systems, however, the information of interest is distributed spatially in a non-uniform manner and may have a complex multi-dimensional nature. One of the critical issues, therefore, lies in being able to accurately identify (`read out') all the individual building blocks in different atomic/molecular architectures, as well as more complex patterns that these blocks may form, on a scale of hundreds and thousands of individual atomic/molecular units. Here we employ machine vision to read and recognize complex molecular assemblies on surfaces. Specifically, we combine Markov random field model and convolutional neural networks to classify structural and rotational states of all individual building blocks in molecular assembly on the metallic surface visualized in high-resolution scanning tunneling microscopy measurements. We show how the obtained full decoding of the system allows us to directly construct a pair density function—a centerpiece in analysis of disorder-property relationship paradigm—as well as to analyze spatial correlations between multiple order parameters at the nanoscale, and elucidate reaction pathway involving molecular conformation changes. The method represents a significant shift in our way of analyzing atomic and/or molecular resolved microscopic images and can be applied to variety of other microscopic measurements of structural, electronic, and magnetic orders in different condensed matter systems.

Spatial and temporal distribution of Pu in the Northwest Pacific Ocean using modern coral archives.

PubMed

Lindahl, Patric; Andersen, Morten B; Keith-Roach, Miranda; Worsfold, Paul; Hyeong, Kiseong; Choi, Min-Seok; Lee, Sang-Hoon

2012-04-01

Historical (239)Pu activity concentrations and (240)Pu/(239)Pu atom ratios were determined in skeletons of dated modern corals collected from three locations (Chuuk Lagoon, Ishigaki Island and Iki Island) to identify spatial and temporal variations in Pu inputs to the Northwest Pacific Ocean. The main Pu source in the Northwest Pacific is fallout from atmospheric nuclear weapons testing which consists of global fallout and close-in fallout from the former US Pacific Proving Grounds (PPG) in the Marshall Islands. PPG close-in fallout dominated the Pu input in the 1950s, as was observed with higher (240)Pu/(239)Pu atom ratios (>0.30) at the Ishigaki site. Specific fallout Pu contamination from the Nagasaki atomic bomb and the Ivy Mike thermonuclear detonation at the PPG were identified at Ishigaki Island from the (240)Pu/(239)Pu atom ratios of 0.07 and 0.46, respectively. During the 1960s and 1970s, global fallout was the major Pu source to the Northwest Pacific with over 60% contribution to the total Pu. After the cessation of the atmospheric nuclear tests, the PPG again dominated the Pu input due to the continuous transport of remobilised Pu from the Marshall Islands along the North Equatorial Current and the subsequent Kuroshio Current. The Pu contributions from the PPG in recent coral bands (1984 onwards) varied over time with average estimated PPG contributions between 54% and 72% depending on location. Copyright © 2011 Elsevier Ltd. All rights reserved.

Analytical SuperSTEM for extraterrestrial materials research

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bradley, J P; Dai, Z R

2009-09-08

Electron-beam studies of extraterrestrial materials with significantly improved spatial resolution, energy resolution and sensitivity are enabled using a 300 keV SuperSTEM scanning transmission electron microscope with a monochromator and two spherical aberration correctors. The improved technical capabilities enable analyses previously not possible. Mineral structures can be directly imaged and analyzed with single-atomic-column resolution, liquids and implanted gases can be detected, and UV-VIS optical properties can be measured. Detection limits for minor/trace elements in thin (<100 nm thick) specimens are improved such that quantitative measurements of some extend to the sub-500 ppm level. Electron energy-loss spectroscopy (EELS) can be carried outmore » with 0.10-0.20 eV energy resolution and atomic-scale spatial resolution such that variations in oxidation state from one atomic column to another can be detected. Petrographic mapping is extended down to the atomic scale using energy-dispersive x-ray spectroscopy (EDS) and energy-filtered transmission electron microscopy (EFTEM) imaging. Technical capabilities and examples of the applications of SuperSTEM to extraterrestrial materials are presented, including the UV spectral properties and organic carbon K-edge fine structure of carbonaceous matter in interplanetary dust particles (IDPs), x-ray elemental maps showing the nanometer-scale distribution of carbon within GEMS (glass with embedded metal and sulfides), the first detection and quantification of trace Ti in GEMS using EDS, and detection of molecular H{sub 2}O in vesicles and implanted H{sub 2} and He in irradiated mineral and glass grains.« less

Spatial Imaging of Strongly Interacting Rydberg Atoms

NASA Astrophysics Data System (ADS)

Thaicharoen, Nithiwadee

The strong interactions between Rydberg excitations can result in spatial correlations between the excitations. The ability to control the interaction strength and the correlations between Rydberg atoms is applicable in future technological implementations of quantum computation. In this thesis, I investigates how both the character of the Rydberg-Rydberg interactions and the details of the excitation process affect the nature of the spatial correlations and the evolution of those correlations in time. I first describes the experimental apparatus and methods used to perform high-magnification Rydberg-atom imaging, as well as three experiments in which these methods play an important role. The obtained Rydberg-atom positions reveal the correlations in the many-body Rydberg-atom system and their time dependence with sub-micron spatial resolution. In the first experiment, atoms are excited to a Rydberg state that experiences a repulsive van der Waals interaction. The Rydberg excitations are prepared with a well-defined initial separation, and the effect of van der Waals forces is observed by tracking the interatomic distance between the Rydberg atoms. The atom trajectories and thereby the interaction coefficient C6 are extracted from the pair correlation functions of the Rydberg atom positions. In the second experiment, the Rydberg atoms are prepared in a highly dipolar state by using adiabatic state transformation. The atom-pair kinetics that follow from the strong dipole-dipole interactions are observed. The pair correlation results provide the first direct visualization of the electric-dipole interaction and clearly exhibit its anisotropic nature. In both the first and the second experiment, results of semi-classical simulations of the atom-pair trajectories agree well with the experimental data. In the analysis, I use energy conservation and measurements of the initial positions and the terminal velocities of the atom pairs to extract the C6 and C 3 interaction coefficients. The final experiment demonstrates the ability to enhance or suppress the degree of spatial correlation in a system of Rydberg excitations, using a rotary-echo excitation process in concert with particular excitation laser detunings. The work in this thesis demonstrates an ability to control long-range interactions between Rydberg atoms, which paves the way towards preparing and studying increasingly complex many-body systems.

Temporal and spatial evolution of nanosecond microwave-driven plasma

NASA Astrophysics Data System (ADS)

Chang, C.; Chen, X. Q.; Zhu, M.; Pu, Y. K.

2018-06-01

In this paper, a method for simultaneously acquiring the temporal and spatial evolution of characteristic plasma spectra in a single microwave pulse is proposed and studied. By using multi-sub-beam fiber bundles coupled with a spectrometer and EMICCD (Electron-multiplying intensified charge-coupled device), the spatial distribution and time evolution of characteristic spectra of desorbed gases at the dielectric/vacuum interface during nanosecond microwave-driven plasma discharge are observed. Arrays of small align tubes punctured with metal walls of feed horn are filled with separate fibers of matched sizes and equal lengths. The output ends of fibers arranged in a single longitudinal column are connected to the entrance slit of a spectrometer, where the optical spectrum inputs to a high-speed EMICCD, to detect the rapid-varying time and space spectra of nanosecond giga-watt microwave discharges. The evolution of spectral clusters of N2 (C-B), N2+ (B-X), and the hydrogen atoms is discovered and monitored. The whole duration of light emission is much longer than the microwave pulse, and the intensities of ion N2+ (B-X) spectra increase after microwave pulses with rise times of 25-50 ns. The brightness distribution of plasma spectra in different space is observed and approximately consistent with the simulated E-field distribution.

Patterned graphene functionalization via mask-free scanning of micro-plasma jet under ambient condition

NASA Astrophysics Data System (ADS)

Ye, Dong; Wu, Shu-Qun; Yu, Yao; Liu, Lin; Lu, Xin-Pei; Wu, Yue

2014-03-01

In this work, a mask-free method is introduced for patterned nitrogen doping of graphene using a micro-plasma jet under ambient condition. Raman and X-ray photoelectron spectroscopy spectra indicate that nitrogen atoms are incorporated into the graphene lattice with the two-dimensional spatial distribution precisely controlled in the range of mm down to 10 μm. Since the chemistry of the micro-plasma jet can be controlled by the choice of the gas mixture, this direct writing process with micro-plasma jet can be a versatile approach for patterned functionalization of graphene with high spatial resolution. This could have promising applications in graphene-based electronics.

Anion-Functionalized Task-Specific Ionic Liquids: Molecular Origin of Change in Viscosity upon CO2 Capture.

PubMed

Li, Ailin; Tian, Ziqi; Yan, Tianying; Jiang, De-en; Dai, Sheng

2014-12-26

The structure and dynamics of a task-specific ionic liquid (TSIL), trihexyl(tetradecyl)phosphonium imidazolate, before and after absorbing CO(2) were studied with a molecular dynamics (MD) simulation. This particular ionic liquid is one of several newly discovered azole-based TSILs for equimolar CO(2) capture. Unlike other TSILs whose viscosity increases drastically upon reaction with CO(2), its viscosity decreases after CO(2) absorption. This unique behavior was confirmed in our MD simulation. We find that after CO(2) absorption the translational dynamics of the whole system is accelerated, accompanied by an accelerated rotational dynamics of the cations. Radial distribution function and spatial distribution function analyses show that the anions become asymmetric after reaction with CO(2), and this causes the imbalance of the interaction between the positive and negative regions of the ions. The interaction between the phosphorus atom of the cation and oxygen atoms of the carboxyl group on the anion is enhanced, while that between the phosphorus atom and the naked nitrogen atom of the anion is weakened. The ion-pair correlation functions further support that the weakened interaction leads to faster dissociation of cation-anion pairs, thereby causing an accelerated dynamics. Hence, the asymmetry of anions influences the dynamics of the system and affects the viscosity. This insight may help design better TSILs with decreased viscosity for CO(2) capture.

Spontaneous reorientations of meta-atoms and electromagnetic spatial solitons in a liquid metacrystal.

PubMed

Zharov, Alexander A; Zharov, Alexander A; Zharova, Nina A

2014-08-01

We show that transverse electromagnetic waves propagating along an external static electric field in liquid metacrystal (LMC) can provoke spontaneous rearrangement of elongated meta-atoms that changes the direction of the anisotropy axis of the LMC. This kind of instability may reorient the meta-atoms from the equilibrium state parallel to a static field to the state along a high-frequency field and back at the different threshold intensities of electromagnetic waves in such a way that bistability in the system takes place. Reorientation of meta-atoms causes a change in the effective refraction index of LMC that creates, in turn, the conditions for the formation of bright spatial solitons. Such spatial solitons are the self-consistent domains of redirected meta-atoms with trapped photons. We find that the instability thresholds as well as energy flux captured by the spatial soliton can be easily managed by variation of the static electric field applied to the LMC. We study the effects of soliton excitation and collisions via numerical simulations.

Development of monitoring method of spatial neutron distribution in neutrons-gamma rays mixed field using imaging plate for NCT--depression of the field.

PubMed

Tanaka, Kenichi; Endo, Satoru; Hoshi, Masaharu; Takada, Jun

2011-12-01

The degree of depression in the neutron field caused by neutron absorption in the materials of an imaging plate (IP) was investigated using MCNP-4C. Consequently, the IP doped with Gd, which reproduced the distribution of (157)Gd(n,γ)(158)Gd reaction rate in the previous study, depresses the relative distribution by about 50%. The depression for the IP in which Gd is replaced with similar amount of B atoms was estimated to be about 10%. The signal intensity for this IP is estimated to be at a similar level with that for Gd-doped IP. Copyright © 2011 Elsevier Ltd. All rights reserved.

Non-destructive imaging of spinor Bose-Einstein condensates

NASA Astrophysics Data System (ADS)

Samson, E.; Vinit, Anshuman; Raman, Chandra

2013-05-01

We present a non-destructive differential imaging technique that enables the observation of the spatial distribution of the magnetization in a spinor Bose-Einstein condensate (BEC) through a Faraday rotation protocol. In our procedure, we utilize a linearly polarized, far-detuned laser beam as our imaging probe, and upon interaction with the condensate, the beam's polarization direction undergoes Faraday rotation. A differential measurement of the orthogonal polarization components of the rotated beam provides a spatial map of the net magnetization density within the BEC. The non-destructive aspect of this method allows for continuous imaging of the condensate. This imaging technique will prove useful in experimental BEC studies, such as spatially resolved magnetometry using ultracold atoms, and non-destructive imaging of non-equilibrium behavior of antiferromagnetic spinor condensates. This work was supported by the DARPA QuASAR program through a grant from ARO.

Time-dependent density-functional theory simulation of local currents in pristine and single-defect zigzag graphene nanoribbons

DOE Office of Scientific and Technical Information (OSTI.GOV)

He, Shenglai, E-mail: shenglai.he@vanderbilt.edu; Russakoff, Arthur; Li, Yonghui

2016-07-21

The spatial current distribution in H-terminated zigzag graphene nanoribbons (ZGNRs) under electrical bias is investigated using time-dependent density-functional theory solved on a real-space grid. A projected complex absorbing potential is used to minimize the effect of reflection at simulation cell boundary. The calculations show that the current flows mainly along the edge atoms in the hydrogen terminated pristine ZGNRs. When a vacancy is introduced to the ZGNRs, loop currents emerge at the ribbon edge due to electrons hopping between carbon atoms of the same sublattice. The loop currents hinder the flow of the edge current, explaining the poor electric conductancemore » observed in recent experiments.« less

Particle visualization in high-power impulse magnetron sputtering. I. 2D density mapping

DOE Office of Scientific and Technical Information (OSTI.GOV)

Britun, Nikolay, E-mail: nikolay.britun@umons.ac.be; Palmucci, Maria; Konstantinidis, Stephanos

2015-04-28

Time-resolved characterization of an Ar-Ti high-power impulse magnetron sputtering discharge has been performed. This paper deals with two-dimensional density mapping in the discharge volume obtained by laser-induced fluorescence imaging. The time-resolved density evolution of Ti neutrals, singly ionized Ti atoms (Ti{sup +}), and Ar metastable atoms (Ar{sup met}) in the area above the sputtered cathode is mapped for the first time in this type of discharges. The energetic characteristics of the discharge species are additionally studied by Doppler-shift laser-induced fluorescence imaging. The questions related to the propagation of both the neutral and ionized discharge particles, as well as to theirmore » spatial density distributions, are discussed.« less

Distribution of forbidden neutral carbon emission in the ring nebula (NGC 6720)

NASA Technical Reports Server (NTRS)

Jewitt, D. C.; Danielson, G. E.; Kupferman, P. N.; Maran, S. P.

1983-01-01

The spatial distribution of forbidden C I 9823, 9850 A emission in NGC 6720 is reported. Like forbidden O I, the forbidden C I radiation appears enhanced in the region of the bright filaments. A few percent of the carbon atoms in the filaments are neutral. The neutral fraction is consistent with ionization equilibrium calculations made under the assumption of complete shielding of direct stellar radiation by hydrogen. The observed carbon lines are excited by photoelectrons produced from hydrogen by the nebular diffuse radiation field. The forbidden C I observations confirm that the filaments in NGC 6720 are regions of locally enhanced shielding.

Properties of nearby interstellar hydrogen deduced from Lyman-alpha sky background measurements

NASA Technical Reports Server (NTRS)

Thomas, G. E.

1972-01-01

For a sufficiently rapid relative motion of the solar system and the nearby interstellar gas, neutral atoms may be expected to penetrate the heliosphere before becoming ionized. Recent satellite measurements of the Lyman alpha emission above the geocorona indicate such an interstellar wind of neutral hydrogen emerging from the direction of Sagittarius and reaching to within a few astronomical units of the sun. A detailed model of the scattering of solar Lyman alpha from the spatial distribution of neutral hydrogen in interplanetary space is presented. This asymmetric distribution is established by solar wind and solar ultraviolet ionization processes along the trajectories of the incoming hydrogen atoms. The values of the interstellar density, the relative velocity, and the gas temperature are adjusted to agree with the Lyman alpha measurements. The results may be interpreted in terms of two models, the cold model and the hot model of the interstellar gas, depending on whether galactic Lyman alpha emission is present at its maximum allowable value or negligibly small.

Experimental and theoretical investigation of radiation and dynamics properties in laser-produced carbon plasmas

NASA Astrophysics Data System (ADS)

Min, Qi; Su, Maogen; Wang, Bo; Cao, Shiquan; Sun, Duixiong; Dong, Chenzhong

2018-05-01

The radiation and dynamics properties of laser-produced carbon plasma in vacuum were studied experimentally with aid of a spatio-temporally resolved emission spectroscopy technique. In addition, a radiation hydrodynamics model based on the fluid dynamic equations and the radiative transfer equation was presented, and calculation of the charge states was performed within the time-dependent collisional radiative model. Detailed temporal and spatial evolution behavior about plasma parameters have been analyzed, such as velocity, electron temperature, charge state distribution, energy level population, and various atomic processes. At the same time, the effects of different atomic processes on the charge state distribution were examined. Finally, the validity of assuming a local thermodynamic equilibrium in the carbon plasma expansion was checked, and the results clearly indicate that the assumption was valid only at the initial (<80 ns) stage of plasma expansion. At longer delay times, it was not applicable near the plasma boundary because of a sharp drop of plasma temperature and electron density.

Defect-suppressed atomic crystals in an optical lattice.

PubMed

Rabl, P; Daley, A J; Fedichev, P O; Cirac, J I; Zoller, P

2003-09-12

We present a coherent filtering scheme which dramatically reduces the site occupation number defects for atoms in an optical lattice by transferring a chosen number of atoms to a different internal state via adiabatic passage. With the addition of superlattices it is possible to engineer states with a specific number of atoms per site (atomic crystals), which are required for quantum computation and the realization of models from condensed matter physics, including doping and spatial patterns. The same techniques can be used to measure two-body spatial correlation functions.

Entangling two transportable neutral atoms via local spin exchange.

PubMed

Kaufman, A M; Lester, B J; Foss-Feig, M; Wall, M L; Rey, A M; Regal, C A

2015-11-12

To advance quantum information science, physical systems are sought that meet the stringent requirements for creating and preserving quantum entanglement. In atomic physics, robust two-qubit entanglement is typically achieved by strong, long-range interactions in the form of either Coulomb interactions between ions or dipolar interactions between Rydberg atoms. Although such interactions allow fast quantum gates, the interacting atoms must overcome the associated coupling to the environment and cross-talk among qubits. Local interactions, such as those requiring substantial wavefunction overlap, can alleviate these detrimental effects; however, such interactions present a new challenge: to distribute entanglement, qubits must be transported, merged for interaction, and then isolated for storage and subsequent operations. Here we show how, using a mobile optical tweezer, it is possible to prepare and locally entangle two ultracold neutral atoms, and then separate them while preserving their entanglement. Ground-state neutral atom experiments have measured dynamics consistent with spin entanglement, and have detected entanglement with macroscopic observables; we are now able to demonstrate position-resolved two-particle coherence via application of a local gradient and parity measurements. This new entanglement-verification protocol could be applied to arbitrary spin-entangled states of spatially separated atoms. The local entangling operation is achieved via spin-exchange interactions, and quantum tunnelling is used to combine and separate atoms. These techniques provide a framework for dynamically entangling remote qubits via local operations within a large-scale quantum register.

Non-Destructive Study of Bulk Crystallinity and Elemental Composition of Natural Gold Single Crystal Samples by Energy-Resolved Neutron Imaging

PubMed Central

Tremsin, Anton S.; Rakovan, John; Shinohara, Takenao; Kockelmann, Winfried; Losko, Adrian S.; Vogel, Sven C.

2017-01-01

Energy-resolved neutron imaging enables non-destructive analyses of bulk structure and elemental composition, which can be resolved with high spatial resolution at bright pulsed spallation neutron sources due to recent developments and improvements of neutron counting detectors. This technique, suitable for many applications, is demonstrated here with a specific study of ~5–10 mm thick natural gold samples. Through the analysis of neutron absorption resonances the spatial distribution of palladium (with average elemental concentration of ~0.4 atom% and ~5 atom%) is mapped within the gold samples. At the same time, the analysis of coherent neutron scattering in the thermal and cold energy regimes reveals which samples have a single-crystalline bulk structure through the entire sample volume. A spatially resolved analysis is possible because neutron transmission spectra are measured simultaneously on each detector pixel in the epithermal, thermal and cold energy ranges. With a pixel size of 55 μm and a detector-area of 512 by 512 pixels, a total of 262,144 neutron transmission spectra are measured concurrently. The results of our experiments indicate that high resolution energy-resolved neutron imaging is a very attractive analytical technique in cases where other conventional non-destructive methods are ineffective due to sample opacity. PMID:28102285

Concept for room temperature single-spin tunneling force microscopy with atomic spatial resolution

NASA Astrophysics Data System (ADS)

Payne, Adam

A study of a force detected single-spin magnetic resonance measurement concept with atomic spatial resolution is presented. The method is based upon electrostatic force detection of spin-selection rule controlled single electron tunneling between two electrically isolated paramagnetic states. Single-spin magnetic resonance detection is possible by measuring the force detected tunneling charge noise on and off spin resonance. Simulation results of this charge noise, based upon physical models of the tunneling and spin physics, are directly compared to measured atomic force microscopy (AFM) system noise. The results show that the approach could provide single-spin measurement of electrically isolated defect states with atomic spatial resolution at room temperature.

Image routing via atomic spin coherence

PubMed Central

Wang, Lei; Sun, Jia-Xiang; Luo, Meng-Xi; Sun, Yuan-Hang; Wang, Xiao-Xiao; Chen, Yi; Kang, Zhi-Hui; Wang, Hai-Hua; Wu, Jin-Hui; Gao, Jin-Yue

2015-01-01

Coherent storage of optical image in a coherently-driven medium is a promising method with possible applications in many fields. In this work, we experimentally report a controllable spatial-frequency routing of image via atomic spin coherence in a solid-state medium driven by electromagnetically induced transparency (EIT). Under the EIT-based light-storage regime, a transverse spatial image carried by the probe field is stored into atomic spin coherence. By manipulating the frequency and spatial propagation direction of the read control field, the stored image is transferred into a new spatial-frequency channel. When two read control fields are used to retrieve the stored information, the image information is converted into a superposition of two spatial-frequency modes. Through this technique, the image is manipulated coherently and all-optically in a controlled fashion. PMID:26658846

Transfer of Orbital and Spin angular momentum from non-paraxial optical vortex to atomic BEC

NASA Astrophysics Data System (ADS)

Bhowmik, Anal; Mondal, Pradip Kumar; Majumder, Sonjoy; Deb, Bimalendu

2017-04-01

Allen and co-workers first brought up the realization that optical vortex can carry well defined orbital angular momentum (OAM) associated with its spatial mode. Spin angular momentum (SAM) of the light, associated with the polarization, interacts with the internal electronic motion of the atom. The exchange of orbital angular momentum (OAM) between optical vortex and the center-of-mass (CM) motion of an atom or molecule is well known in paraxial approximation. We show that, how the total angular momentum (TAM) of non-paraxial optical vortex is shared with atom, in terms of OAM and SAM. Both the angular momenta are now possible to be transferred to the internal electronic and external CM motion of atom. Here we have studied how the Rabi frequencies of the excitations of two-photon Raman transitions with respect to focusing angles. Also, we investigate the properties of the vortex superposed state for a Bose-Einstein condensate condensate by a single non-paraxial vortex beam. The density distribution of the vortex-antivortex superposed state has a petal structure which is determined by the quantum circulations and proportion of the vortex and antivortex.

Spatial dispersion in atom-surface quantum friction

DOE PAGES

Reiche, D.; Dalvit, D. A. R.; Busch, K.; ...

2017-04-15

We investigate the influence of spatial dispersion on atom-surface quantum friction. We show that for atom-surface separations shorter than the carrier's mean free path within the material, the frictional force can be several orders of magnitude larger than that predicted by local optics. In addition, when taking into account spatial dispersion effects, we show that the commonly used local thermal equilibrium approximation underestimates by approximately 95% the drag force, obtained by employing the recently reported nonequilibrium fluctuation-dissipation relation for quantum friction. Unlike the treatment based on local optics, spatial dispersion in conjunction with corrections to local thermal equilibrium change notmore » only the magnitude but also the distance scaling of quantum friction.« less

First-Principles Molecular Dynamics Study of a Deep Eutectic Solvent: Choline Chloride/Urea and Its Mixture with Water

DOE PAGES

Fetisov, Evgenii O.; Harwood, David B.; Kuo, I-Feng William; ...

2017-12-07

First-principles molecular dynamics simulations in the canonical ensemble at temperatures of 333 and 363 K and at the corresponding experimental densities are carried out to investigate the behavior of the 1:2 choline chloride/urea (reline) deep eutectic solvent and its equimolar mixture with water. Analysis of atom–atom radial and spatial distribution functions and of the H-bond network reveals the microheterogeneous structure of these complex liquid mixtures. In neat reline, the structure is governed by strong H-bonds of the trans- and cis-H atoms of urea to the chloride ion. In hydrous reline, water competes for the anions, and the H atoms ofmore » urea have similar propensities to bond to the chloride ions and the O atoms of urea and water. Finally, the vibrational spectra exhibit relatively broad peaks reflecting the heterogeneity of the environment. Although the 100 ps trajectories allow only for a qualitative assessment of transport properties, the simulations indicate that water is more mobile than the other species and its addition also fosters faster motion of urea.« less

An Easily Constructed and Versatile Molecular Model

NASA Astrophysics Data System (ADS)

Hernandez, Sandra A.; Rodriguez, Nora M.; Quinzani, Oscar

1996-08-01

Three-dimensional molecular models are powerful tools used in basic courses of general and organic chemistry when the students must visualize the spatial distributions of atoms in molecules and relate them to the physical and chemical properties of such molecules. This article discusses inexpensive, easily carried, and semipermanent molecular models that the students may build by themselves. These models are based upon two different types of arrays of thin flexible wires, like telephone hook-up wires, which may be bent easily but keep their shapes.

Comparative Studies for the Sodium and Potassium Atmospheres of the Moon and Mercury

NASA Technical Reports Server (NTRS)

Smyth, William H.

1999-01-01

A summary discussion of recent sodium and potassium observations for the atmospheres of the Moon and Mercury is presented with primary emphasis on new full-disk images that have become available for sodium. For the sodium atmosphere, image observations for both the Moon and Mercury are fitted with model calculations (1) that have the same source speed distribution, one recently measured for electron-stimulated desorption and thought to apply equally well to photon-stimulated desorption, (2) that have similar average surface sodium fluxes, about 2.8 x 10(exp 5) to 8.9 x 10(exp 5) atoms cm(exp -2)s(exp -1) for the Moon and approximately 3.5 x 10(exp 5) to 1.4 x 10(exp 6) atoms cm(exp -2)s(exp -1) for Mercury, but (3) that have very different distributions for the source surface area. For the Moon, a sunlit hemispherical surface source of between approximately 5.3 x 10(exp 22) to 1.2 x 10(exp 23) atoms/s is required with a spatial dependence at least as sharp as the square of the cosine of the solar zenith angle. For Mercury, a time dependent source that varies from 1.5 x 10(exp 22) to 5.8 x l0(exp 22) atoms/s is required which is confined to a small surface area located at, but asymmetrically distributed about, the subsolar point. The nature of the Mercury source suggest that the planetary magnetopause near the subsolar point acts as a time varying and partially protective shield through which charged particles may pass to interact with and liberate gas from the planetary surface. Suggested directions for future research activities are discussed.

Gauge-origin dependence in electronic g-tensor calculations

NASA Astrophysics Data System (ADS)

Glasbrenner, Michael; Vogler, Sigurd; Ochsenfeld, Christian

2018-06-01

We present a benchmark study on the gauge-origin dependence of the electronic g-tensor using data from unrestricted density functional theory calculations with the spin-orbit mean field ansatz. Our data suggest in accordance with previous studies that g-tensor calculations employing a common gauge-origin are sufficiently accurate for small molecules; however, for extended molecules, the introduced errors can become relevant and significantly exceed the basis set error. Using calculations with the spin-orbit mean field ansatz and gauge-including atomic orbitals as a reference, we furthermore show that the accuracy and reliability of common gauge-origin approaches in larger molecules depends strongly on the locality of the spin density distribution. We propose a new pragmatic ansatz for choosing the gauge-origin which takes the spin density distribution into account and gives reasonably accurate values for molecules with a single localized spin center. For more general cases like molecules with several spatially distant spin centers, common gauge-origin approaches are shown to be insufficient for consistently achieving high accuracy. Therefore the computation of g-tensors using distributed gauge-origin methods like gauge-including atomic orbitals is considered as the ideal approach and is recommended for larger molecular systems.

3D tomographic reconstruction of the terrestrial exosphere and its time-dependent coupling to the magnetospheric ring current

NASA Astrophysics Data System (ADS)

Waldrop, L.; Cucho-Padin, G.; Ilie, R.

2017-12-01

Charge exchange collisions between ring current ions and hydrogen (H) atoms in the outer exosphere serve to dissipate magnetospheric energy, particularly during the slow recovery phase of geomagnetic storms, through the generation of energetic neutral atoms (ENAs) which escape the system. As a result, knowledge of the spatial distribution and temporal variability of exospheric H density is critical for reliable interpretation of ENA flux measurements as well as for accurate modeling of the ring current. Although numerous theoretical, numerical, and empirical H distributions have been used for such analyses, their reliance on ad hoc or unphysical assumptions, together with their inherently static formulations, is a source of significant uncertainty. Our recent development of a robust tomographic technique for the model-independent estimation of global exospheric H density from optical remote sensing data overcomes the limitations of past analysis and enables an unprecedented investigation of global exospheric and ring current dynamics. Here, we present sample results of our 3D, time-dependent reconstructions of exospheric structure, derived from measurements of resonantly scattered solar Lyman-alpha (121.6 nm) photons acquired by the Lyman-alpha detectors (LADs) onboard NASA's Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) mission. We use the Hot Electron and Ion Drift Integrator (HEIDI) kinetic model of the ring current to investigate the charge exchange interactions between the resulting H density distribution and ring current ions and generate synthetic images of ENA flux for comparison with those measured by TWINS.

Learning surface molecular structures via machine vision

DOE PAGES

Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V.

2017-08-10

Recent advances in high resolution scanning transmission electron and scanning probe microscopies have allowed researchers to perform measurements of materials structural parameters and functional properties in real space with a picometre precision. In many technologically relevant atomic and/or molecular systems, however, the information of interest is distributed spatially in a non-uniform manner and may have a complex multi-dimensional nature. One of the critical issues, therefore, lies in being able to accurately identify (‘read out’) all the individual building blocks in different atomic/molecular architectures, as well as more complex patterns that these blocks may form, on a scale of hundreds andmore » thousands of individual atomic/molecular units. Here we employ machine vision to read and recognize complex molecular assemblies on surfaces. Specifically, we combine Markov random field model and convolutional neural networks to classify structural and rotational states of all individual building blocks in molecular assembly on the metallic surface visualized in high-resolution scanning tunneling microscopy measurements. We show how the obtained full decoding of the system allows us to directly construct a pair density function—a centerpiece in analysis of disorder-property relationship paradigm—as well as to analyze spatial correlations between multiple order parameters at the nanoscale, and elucidate reaction pathway involving molecular conformation changes. Here, the method represents a significant shift in our way of analyzing atomic and/or molecular resolved microscopic images and can be applied to variety of other microscopic measurements of structural, electronic, and magnetic orders in different condensed matter systems.« less

Learning surface molecular structures via machine vision

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ziatdinov, Maxim; Maksov, Artem; Kalinin, Sergei V.

Recent advances in high resolution scanning transmission electron and scanning probe microscopies have allowed researchers to perform measurements of materials structural parameters and functional properties in real space with a picometre precision. In many technologically relevant atomic and/or molecular systems, however, the information of interest is distributed spatially in a non-uniform manner and may have a complex multi-dimensional nature. One of the critical issues, therefore, lies in being able to accurately identify (‘read out’) all the individual building blocks in different atomic/molecular architectures, as well as more complex patterns that these blocks may form, on a scale of hundreds andmore » thousands of individual atomic/molecular units. Here we employ machine vision to read and recognize complex molecular assemblies on surfaces. Specifically, we combine Markov random field model and convolutional neural networks to classify structural and rotational states of all individual building blocks in molecular assembly on the metallic surface visualized in high-resolution scanning tunneling microscopy measurements. We show how the obtained full decoding of the system allows us to directly construct a pair density function—a centerpiece in analysis of disorder-property relationship paradigm—as well as to analyze spatial correlations between multiple order parameters at the nanoscale, and elucidate reaction pathway involving molecular conformation changes. Here, the method represents a significant shift in our way of analyzing atomic and/or molecular resolved microscopic images and can be applied to variety of other microscopic measurements of structural, electronic, and magnetic orders in different condensed matter systems.« less

Un projet d'horloge atomique spatiale utlilsant le refroidissement des atomes par faisceaux laser: PHARAO

NASA Astrophysics Data System (ADS)

Laurent, Ph.; Lemonde, P.; Simon, E.; Santarelli, G.; Petit, P.; Dimarcq, N.; Clairon, A.; Salomon, C.; Audoin, C.; Changeart, F. Jamin; Gonzalez, F.

2018-04-01

This paper, "Un projet d'horloge atomique spatiale utlilsant le refroidissement des atomes par faisceaux laser: PHARAO," was presented as part of International Conference on Space Optics—ICSO 1997, held in Toulouse, France.

X-ray STM: Nanoscale elemental analysis & Observation of atomic track.

PubMed

Saito, Akira; Furudate, Y; Kusui, Y; Saito, T; Akai-Kasaya, M; Tanaka, Y; Tamasaku, K; Kohmura, Y; Ishikawa, T; Kuwahara, Y; Aono, M

2014-11-01

Scanning tunneling microscopy (STM) combined with brilliant X-rays from synchrotron radiation (SR) can provide various possibilities of original and important applications, such as the elemental analysis on solid surfaces at an atomic scale. The principle of the elemental analysis is based on the inner-shell excitation of an element-specific energy level "under STM observation". A key to obtain an atomic locality is to extract the element-specific modulation of the local tunneling current (not emission that can damage the spatial resolution), which is derived from the inner-shell excitation [1]. On this purpose, we developed a special SR-STM system and smart tip. To surmount a tiny core-excitation efficiency by hard X-rays, we focused two-dimensionally an incident beam having the highest photon density at the SPring-8.After successes in the elemental analyses by SR-STM [1,2] on a semiconductor hetero-interface (Ge on Si) and metal-semiconductor interface (Cu on Ge), we succeeded in obtaining the elemental contrast between Co nano-islands and Au substrate. The results on the metallic substrate suggest the generality of the method and give some important implications on the principle of contrast. For all cases of three samples, the spatial resolution of the analysis was estimated to be ∼1 nm or less, and it is worth noting that the measured surface domains had a deposition thickness of less than one atomic layer (Fig. 1, left and center).jmicro;63/suppl_1/i14-a/DFU045F1F1DFU045F1Fig. 1.(left) Topographic image and (center) beam-induced tip current image of Ge(111)-Cu (-2V, 0.2 nA). (right) X-ray- induced atomic motion tracks on Ge(111) that were newly imaged by the Xray-STM. On the other hand, we found that the "X-ray induced atomic motion" can be observed directly with atomic scale using the SR-STM system effectively under the incident photon density of ∼2 x10(15) photon/sec/mm(2) [3]. SR-STM visualized successfully the track of the atomic motion (Fig. 1, right), which enabled the further analysis on the mechanism of the atomic motion. It is worth comparing our results with past conventional thermal STM observations on the same surface [4], where the atomic motion was found to occur in the 2-dimensional domain. However, our results show the atomic track having a local chain distribution [3].The above mentioned results will allow us to investigate the chemical analysis and control of the local reaction with the spatial resolution of STM, giving hope of wide applications. © The Author 2014. Published by Oxford University Press on behalf of The Japanese Society of Microscopy. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Influence of hydrostatic pressure on dynamics and spatial distribution of protein partial molar volume: time-resolved surficial Kirkwood-Buff approach.

PubMed

Yu, Isseki; Tasaki, Tomohiro; Nakada, Kyoko; Nagaoka, Masataka

2010-09-30

The influence of hydrostatic pressure on the partial molar volume (PMV) of the protein apomyoglobin (AMb) was investigated by all-atom molecular dynamics (MD) simulations. Using the time-resolved Kirkwood-Buff (KB) approach, the dynamic behavior of the PMV was identified. The simulated time average value of the PMV and its reduction by 3000 bar pressurization correlated with experimental data. In addition, with the aid of the surficial KB integral method, we obtained the spatial distributions of the components of PMV to elucidate the detailed mechanism of the PMV reduction. New R-dependent PMV profiles identified the regions that increase or decrease the PMV under the high pressure condition. The results indicate that besides the hydration in the vicinity of the protein surface, the outer space of the first hydration layer also significantly influences the total PMV change. These results provide a direct and detailed picture of pressure induced PMV reduction.

Study of axial double layer in helicon plasma by optical emission spectroscopy and simple probe

NASA Astrophysics Data System (ADS)

Gao, ZHAO; Wanying, ZHU; Huihui, WANG; Qiang, CHEN; Chang, TAN; Jiting, OUYANG

2018-07-01

In this work we used a passive measurement method based on a high-impedance electrostatic probe and an optical emission spectroscope (OES) to investigate the characteristics of the double layer (DL) in an argon helicon plasma. The DL can be confirmed by a rapid change in the plasma potential along the axis. The axial potential variation of the passive measurement shows that the DL forms near a region of strong magnetic field gradient when the plasma is operated in wave-coupled mode, and the DL strength increases at higher powers in this experiment. The emission intensity of the argon atom line, which is strongly dependent on the metastable atom concentration, shows a similar spatial distribution to the plasma potential along the axis. The emission intensity of the argon atom line and the argon ion line in the DL suggests the existence of an energetic electron population upstream of the DL. The electron density upstream is much higher than that downstream, which is mainly caused by these energetic electrons.

Suprathermal electrons in kJ-laser produced plasmas: M- shell resolved high-resolution x-ray spectroscopic study of transient matter evolution

NASA Astrophysics Data System (ADS)

Condamine, F. P.; Šmíd, M.; Renner, O.; Dozières, M.; Thais, F.; Angelo, P.; Bobin, J.-L.; Rosmej, F. B.

2016-05-01

Hot electrons are of key importance to understand many physical processes in plasma physics. They impact strongly on atomic physics as almost all radiative properties are seriously modified. X-ray spectroscopy is of particular interest due to reduced photoabsorption in dense matter. We report on a study of the copper Kα X-ray emission conducted at the ns, kJ laser facility PALS, Prague, Czech Republic. Thin copper foils have been irradiated with 1ω pulses. Two spherically bent quartz Bragg crystal spectrometers with high spectral and spatial resolution have been set up simultaneously to achieve a high level of confidence in the spectral distribution. In particular, an emission on the red wing of the Kα2 transition (λ = 1.5444 Å) could be identified with complex atomic structure calculations. We discuss possible implications for the analysis of non-equilibrium phenomena and present first atomic physics simulations.

Analytic treatment of charge cloud overlaps: an improvement of the tomographic atom probe efficiency

NASA Astrophysics Data System (ADS)

Bas, P.; Bostel, A.; Grancher, G.; Deconihout, B.; Blavette, D.

1996-03-01

Although reliable position and composition data are obtained with the Tomographic Atom Probe, the procedure of position calculation by charge centroiding fails when the detector receives two or more ions with close spaced positions and the same mass-to-charge ratio. As the charge clouds of the ions overlap, they form a unique charge pattern on the multianode detector. Only one atom is represented and its position is biased. In order to estimate real positions, we have developed a correction method. The spatial distribution of charges inside a cloud issued from one impact is modelled by a Gaussian law. The particular properties of the Gaussian enable the calculation of exact positions of the two impacts of the overlapped charge patterns and charges of corresponding clouds. The calculation may be generalized for more than two overlapped clouds. The method was tested on a plane-by-plane analysis of a fully ordered Cu 3Au alloy performed on a (100) pole.

High-power Al-free active region (λ= 852nm) DFB laser diodes for atomic clocks and interferometry applications

NASA Astrophysics Data System (ADS)

Ligeret, V.; Vermersch, F.-J.; Bansropun, S.; Lecomte, M.; Calligaro, M.; Parillaud, O.; Krakowski, M.

2017-11-01

Atomic clocks will be used in the future European positioning system Galileo. Among them, the optically pumped clocks provide a better alternative with comparable accuracy for a more compact system. For these systems, diode lasers emitting at 852nm are strategic components. The laser in a conventional bench for atomic clocks presents disadvantages for spatial applications. A better approach would be to realise a system based on a distributed-feedback laser (DFB). We have developed the technological foundations of such lasers operating at 852nm. These include an Al free active region, a single spatial mode ridge waveguide and a DFB structure. The device is a separate confinement heterostructure with a GaInP large optical cavity and a single compressive strained GaInAsP quantum well. The broad area laser diodes are characterised by low internal losses (<3cm -1 ), a high internal efficiency (94%) and a low transparency current density (100A/cm2). For an AR-HR coated ridge Fabry Perot laser, we obtain a power of 230mW with M2=1.3. An optical power of 150mW was obtained at 854nm wavelength, 20°C for AR-HR coated devices. We obtain a single spatial mode emission with M2=1.21 and a SMSR over 30dB, both at 150mW. DFB Lasers at 852.12nm, corresponding to the D2 caesium transition, were then realised with a power of 40mW, 37°C for uncoated devices. The SMSR is over 30dB and the M2=1.33 at 40mW. Furthermore, the preliminary results of the linewidth obtained with a Fabry Perot interferometer give a value of less than 2MHz.

Off-Grid Direction of Arrival Estimation Based on Joint Spatial Sparsity for Distributed Sparse Linear Arrays

PubMed Central

Liang, Yujie; Ying, Rendong; Lu, Zhenqi; Liu, Peilin

2014-01-01

In the design phase of sensor arrays during array signal processing, the estimation performance and system cost are largely determined by array aperture size. In this article, we address the problem of joint direction-of-arrival (DOA) estimation with distributed sparse linear arrays (SLAs) and propose an off-grid synchronous approach based on distributed compressed sensing to obtain larger array aperture. We focus on the complex source distribution in the practical applications and classify the sources into common and innovation parts according to whether a signal of source can impinge on all the SLAs or a specific one. For each SLA, we construct a corresponding virtual uniform linear array (ULA) to create the relationship of random linear map between the signals respectively observed by these two arrays. The signal ensembles including the common/innovation sources for different SLAs are abstracted as a joint spatial sparsity model. And we use the minimization of concatenated atomic norm via semidefinite programming to solve the problem of joint DOA estimation. Joint calculation of the signals observed by all the SLAs exploits their redundancy caused by the common sources and decreases the requirement of array size. The numerical results illustrate the advantages of the proposed approach. PMID:25420150

Polymeric spatial resolution test patterns for mass spectrometry imaging using nano-thermal analysis with atomic force microscopy

DOE PAGES

Tai, Tamin; Kertesz, Vilmos; Lin, Ming -Wei; ...

2017-05-11

As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This study describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging.

Polymeric spatial resolution test patterns for mass spectrometry imaging using nano-thermal analysis with atomic force microscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tai, Tamin; Kertesz, Vilmos; Lin, Ming -Wei

As the spatial resolution of mass spectrometry imaging technologies has begun to reach into the nanometer regime, finding readily available or easily made resolution reference materials has become particularly challenging for molecular imaging purposes. This study describes the fabrication, characterization and use of vertical line array polymeric spatial resolution test patterns for nano-thermal analysis/atomic force microscopy/mass spectrometry chemical imaging.

Reaction pathways in remote plasma nitridation of ultrathin SiO2 films

NASA Astrophysics Data System (ADS)

Niimi, Hiro; Khandelwal, Amit; Lamb, H. Henry; Lucovsky, Gerald

2002-01-01

Low-temperature nitridation of 3 nm SiO2 films using He/N2 and N2 remote radio frequency (rf) plasmas was investigated. On-line Auger electron spectroscopy and angle-resolved x-ray photoelectron spectroscopy (ARXPS) were employed to determine the concentration, spatial distribution, and local chemical bonding of nitrogen in the resultant films. Experiments were performed using a substrate temperature of 300 °C and 30 W rf power. Nitridation using an upstream He/N2 remote plasma at 0.1 Torr incorporates nitrogen at the top surface of the SiO2 film. In contrast, a lower concentration of nitrogen distributed throughout the film is obtained when the process pressure is increased to 0.3 Torr. ARXPS indicates a N-Si3 local bonding configuration, irrespective of the spatial distribution of N atoms. Slightly more nitrogen is incorporated using a downstream He/N2 plasma at each process pressure. By comparison, nitridation of SiO2 films using a N2 remote plasma at 0.1 Torr is very slow. Optical emission spectroscopy indicates that He dilution enhances the generation of N2+(B 2Σu+) species by altering the plasma electron energy distribution and by providing an additional kinetic pathway (Penning ionization). Changing the He/N2 remote plasma configuration from upstream to downstream (at 0.1 and 0.3 Torr) also enhances N2+(B 2Σu+) generation. For upstream He/N2 remote plasmas, the intensity of N2 first positive emission from N2(B 3Πg) states increases with pressure, whereas the N2+ first negative emission from N2+(B 2Σu+) states decreases. We infer from these observations that N2+ species are primarily responsible for top surface nitridation at 0.1 Torr, and that neutral species [N2(A 3Σu+) metastables and N atoms] are associated with sub-surface nitrogen incorporation.

The influence of electrohydrodynamic flow on the distribution of chemical species in positive corona

NASA Astrophysics Data System (ADS)

Pontiga, Francisco; Yanallah, Khelifa; Bouazza, R.; Chen, Junhong

2015-09-01

A numerical simulation of positive corona discharge in air, including the effect of electrohydrodynamic (EHD) motion of the gas, has been carried out. Air flow is assumed to be confined between two parallel plates, and corona discharge is produced around a thin wire, midway between the plates. Therefore, fluid dynamics equations, including electrical forces, have been solved together with the continuity equation of each neutral species. The plasma chemical model included 24 chemical reactions and ten neutral species, in addition to electrons and positive ions. The results of the simulation have shown that the influence of EHD flow on the spatial distributions of the species is quite different depending on the species. Hence, reactive species like atomic oxygen and atomic nitrogen are confined to the vicinity of the wire, and they are weakly affected by the EHD gas motion. In contrast, nitrogen oxides and ozone are efficiently dragged outside the active region of the corona discharge by the EHD flow. This work was supported by the Spanish Government Agency ``Ministerio de Ciencia e Innovación'' under Contract No. FIS2011-25161.

Studies for the Loss of Atomic and Molecular Species from Io

NASA Technical Reports Server (NTRS)

Combi, Michael R.

1997-01-01

The general objective of this project has been to advance our theoretical understanding of Io's atmosphere and how various atomic and molecular species are lost from this atmosphere and are distributed in the circumplanetary environment of Jupiter. The scientific objectives of the larger collaborative program between AER, Inc., and the University of Michigan have been to undertake theoretical modeling studies to simulate the distributions of the exospheric gases in Io's corona and extended clouds, to investigate the importance of the various physical processes that shape their relative abundances, and with these tools to analyze observations of O, S and Na obtained by four observers: M.A. McGrath of the Space Telescope Science Institute and G.E. Ballester of the University of Michigan who each have obtained Hubble Space Telescope observations of O and S near Io, F. Scherb who continues an effort to obtain 6300 A OI observations as part of the University of Wisconsin Fabry-Perot program, and N.M. Schneider of the University of Colorado who obtained an extensive set of spectral and spatial observations of the Na emission near Io in the D-lines.

Behavior of Excited Argon Atoms in Inductively Driven Plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

HEBNER,GREGORY A.; MILLER,PAUL A.

1999-12-07

Laser induced fluorescence has been used to measure the spatial distribution of the two lowest energy argon excited states, 1s{sub 5} and 1s{sub 4}, in inductively driven plasmas containing argon, chlorine and boron trichloride. The behavior of the two energy levels with plasma conditions was significantly different, probably because the 1s{sub 5} level is metastable and the 1s{sub 4} level is radiatively coupled to the ground state but is radiation trapped. The argon data is compared with a global model to identify the relative importance of processes such as electron collisional mixing and radiation trapping. The trends in the datamore » suggest that both processes play a major role in determining the excited state density. At lower rfpower and pressure, excited state spatial distributions in pure argon were peaked in the center of the discharge, with an approximately Gaussian profile. However, for the highest rfpowers and pressures investigated, the spatial distributions tended to flatten in the center of the discharge while the density at the edge of the discharge was unaffected. The spatially resolved excited state density measurements were combined with previous line integrated measurements in the same discharge geometry to derive spatially resolved, absolute densities of the 1s{sub 5} and 1s{sub 4} argon excited states and gas temperature spatial distributions. Fluorescence lifetime was a strong fi.mction of the rf power, pressure, argon fraction and spatial location. Increasing the power or pressure resulted in a factor of two decrease in the fluorescence lifetime while adding Cl{sub 2} or BCl{sub 3} increased the fluorescence lifetime. Excited state quenching rates are derived from the data. When Cl{sub 2} or BCl{sub 3} was added to the plasma, the maximum argon metastable density depended on the gas and ratio. When chlorine was added to the argon plasma, the spatial density profiles were independent of chlorine fraction. While it is energetically possible for argon excited states to dissociate some of the molecular species present in this discharge, it does not appear to be a significant source of dissociation. The major source of interaction between the argon and the molecular species BCl{sub 3} and Cl{sub 2} appears to be through modification of the electron density.« less

Enhancing light-atom interactions via atomic bunching

NASA Astrophysics Data System (ADS)

Schmittberger, Bonnie L.; Gauthier, Daniel J.

2014-07-01

There is a broad interest in enhancing the strength of light-atom interactions to the point where injecting a single photon induces a nonlinear material response. Here we show theoretically that sub-Doppler-cooled two-level atoms that are spatially organized by weak optical fields give rise to a nonlinear material response that is greatly enhanced beyond that attainable in a homogeneous gas. Specifically, in the regime where the intensity of the applied optical fields is much less than the off-resonance saturation intensity, we show that the third-order nonlinear susceptibility scales inversely with atomic temperature and, due to this scaling, can be two orders of magnitude larger than that of a homogeneous gas for typical experimental parameters. As a result, we predict that spatially bunched two-level atoms can exhibit single-photon nonlinearities. Our model is valid for all regimes of atomic bunching and simultaneously accounts for the backaction of the atoms on the optical fields. Our results agree with previous theoretical and experimental results for light-atom interactions that have considered only limited regimes of atomic bunching. For lattice beams tuned to the low-frequency side of the atomic transition, we find that the nonlinearity transitions from a self-focusing type to a self-defocusing type at a critical intensity. We also show that higher than third-order nonlinear optical susceptibilities are significant in the regime where the dipole potential energy is on the order of the atomic thermal energy. We therefore find that it is crucial to retain high-order nonlinearities to accurately predict interactions of laser fields with spatially organized ultracold atoms. The model presented here is a foundation for modeling low-light-level nonlinear optical processes for ultracold atoms in optical lattices.

Method and system using power modulation for maskless vapor deposition of spatially graded thin film and multilayer coatings with atomic-level precision and accuracy

DOEpatents

Montcalm, Claude [Livermore, CA; Folta, James Allen [Livermore, CA; Tan, Swie-In [San Jose, CA; Reiss, Ira [New City, NY

2002-07-30

A method and system for producing a film (preferably a thin film with highly uniform or highly accurate custom graded thickness) on a flat or graded substrate (such as concave or convex optics), by sweeping the substrate across a vapor deposition source operated with time-varying flux distribution. In preferred embodiments, the source is operated with time-varying power applied thereto during each sweep of the substrate to achieve the time-varying flux distribution as a function of time. A user selects a source flux modulation recipe for achieving a predetermined desired thickness profile of the deposited film. The method relies on precise modulation of the deposition flux to which a substrate is exposed to provide a desired coating thickness distribution.

Preliminary Spectroscopic Measurements for a Gallium Electromagnetic (GEM) Thruster

NASA Technical Reports Server (NTRS)

Thomas, Robert E.; Burton, Rodney L.; Glumac, Nick G.; Polzin, Kurt A.

2007-01-01

As a propellant option for electromagnetic thrusters, liquid ,gallium appears to have several advantages relative to other propellants. The merits of using gallium in an electromagnetic thruster (EMT) are discussed and estimates of discharge current levels and mass flow rates yielding efficient operation are given. The gallium atomic weight of 70 predicts high efficiency in the 1500-2000 s specific impulse range, making it ideal for higher-thrust, near-Earth missions. A spatially and temporally broad spectroscopic survey in the 220-520 nm range is used to determine which species are present in the plasma and estimate electron temperature. The spectra show that neutral, singly, and doubly ionized gallium species are present in a 20 J, 1.8 kA (peak) are discharge. With graphite present on the insulator to facilitate breakdown, singly and doubly ionized carbon atoms are also present, and emission is observed from molecular carbon (CZ) radicals. A determination of the electron temperature was attempted using relative emission line data, and while the spatially and temporally averaged, spectra don't fit well to single temperatures, the data and presence of doubly ionized gallium are consistent with distributions in the 1-3 eV range.

Distribution of Faint Atomic Gas in Hickson Compact Groups

NASA Astrophysics Data System (ADS)

Borthakur, Sanchayeeta; Yun, Min Su; Verdes-Montenegro, Lourdes; Heckman, Timothy M.; Zhu, Guangtun; Braatz, James A.

2015-10-01

We present 21 cm H i observations of four Hickson Compact Groups (HCGs) with evidence for a substantial intragroup medium using the Robert C. Byrd Green Bank Telescope (GBT). By mapping H i emission in a region of 25‧ × 25‧ (140-650 kpc) surrounding each HCG, these observations provide better estimates of H i masses. In particular, we detected 65% more H i than that detected in the Karl G. Jansky Very Large Array (VLA) imaging of HCG 92. We also identify whether the diffuse gas has the same spatial distribution as the high surface brightness (HSB) H i features detected in the VLA maps of these groups by comparing the H i strengths between the observed and modeled masses based on VLA maps. We found that the H i observed with the GBT has a similar spatial distribution to the HSB structures in HCG 31 and HCG 68. Conversely, the observed H i distributions in HCG 44 and HCG 92 were extended and showed significant offsets from the modeled masses. Most of the faint gas in HCG 44 lies to the northeast-southwest region and in HCG 92 lies in the northwest region of their respective groups. The spatial and dynamical similarities between the total (faint+HSB) and the HSB H i indicate that the faint gas is of tidal origin. We found that the gas will survive ionization by the cosmic UV background and the escaping ionizing photons from the star-forming regions and stay primarily neutral for at least 500 Myr.

DISTRIBUTION OF FAINT ATOMIC GAS IN HICKSON COMPACT GROUPS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borthakur, Sanchayeeta; Heckman, Timothy M.; Zhu, Guangtun

2015-10-10

We present 21 cm H i observations of four Hickson Compact Groups (HCGs) with evidence for a substantial intragroup medium using the Robert C. Byrd Green Bank Telescope (GBT). By mapping H i emission in a region of 25′ × 25′ (140–650 kpc) surrounding each HCG, these observations provide better estimates of H i masses. In particular, we detected 65% more H i than that detected in the Karl G. Jansky Very Large Array (VLA) imaging of HCG 92. We also identify whether the diffuse gas has the same spatial distribution as the high surface brightness (HSB) H i features detectedmore » in the VLA maps of these groups by comparing the H i strengths between the observed and modeled masses based on VLA maps. We found that the H i observed with the GBT has a similar spatial distribution to the HSB structures in HCG 31 and HCG 68. Conversely, the observed H i distributions in HCG 44 and HCG 92 were extended and showed significant offsets from the modeled masses. Most of the faint gas in HCG 44 lies to the northeast–southwest region and in HCG 92 lies in the northwest region of their respective groups. The spatial and dynamical similarities between the total (faint+HSB) and the HSB H i indicate that the faint gas is of tidal origin. We found that the gas will survive ionization by the cosmic UV background and the escaping ionizing photons from the star-forming regions and stay primarily neutral for at least 500 Myr.« less

Endo-Fullerene and Doped Diamond Nanocrystallite Based Models of Qubits for Solid-State Quantum Computers

NASA Technical Reports Server (NTRS)

Park, Seongjun; Srivastava, Deepak; Cho, Kyeongjae; Biegel, Bryan (Technical Monitor)

2001-01-01

Models of encapsulated 1/2 nuclear spin H-1 and P-31 atoms in fullerene and diamond nanocrystallite, respectively, are proposed and examined with ab-initio local density functional method for possible applications as single quantum bits (qubits) in solid-state quantum computers. A H-1 atom encapsulated in a fully deuterated fullerene, C(sub 20)D(sub 20), forms the first model system and ab-initio calculation shows that H-1 atom is stable in atomic state at the center of the fullerene with a barrier of about 1 eV to escape. A P-31 atom positioned at the center of a diamond nanocrystallite is the second model system, and 3 1P atom is found to be stable at the substitutional site relative to interstitial sites by 15 eV, Vacancy formation energy is 6 eV in diamond so that substitutional P-31 atom will be stable against diffusion during the formation mechanisms within the nanocrystallite. The coupling between the nuclear spin and weakly bound (valance) donor electron coupling in both systems is found to be suitable for single qubit applications, where as the spatial distributions of (valance) donor electron wave functions are found to be preferentially spread along certain lattice directions facilitating two or more qubit applications. The feasibility of the fabrication pathways for both model solid-state qubit systems within practical quantum computers is discussed with in the context of our proposed solid-state qubits.

Sb-induced strain fluctuations in a strained layer superlattice of InAs/InAsSb

DOE PAGES

Kim, Honggyu; Meng, Yifei; Klem, John F.; ...

2018-04-28

Here, we show that Sb substitution for As in a MBE grown InAs/InAsSb strained layer superlattice (SLS) is accompanied by significant strain fluctuations. The SLS was observed using scanning transmission electron microscopy along the [100] zone axis where the cation and anion atomic columns are separately resolved. Strain analysis based on atomic column positions reveals asymmetrical transitions in the strain profile across the SLS interfaces. The averaged strain profile is quantitatively fitted to the segregation model, which yields a distribution of Sb in agreement with our scanning tunneling microscopy result. The subtraction of the calculated strain reveals an increase inmore » strain fluctuations with the Sb concentration, as well as isolated regions with large strain deviations extending spatially over ~1 nm, which suggest the presence of point defects.« less

Sb-induced strain fluctuations in a strained layer superlattice of InAs/InAsSb

NASA Astrophysics Data System (ADS)

Kim, Honggyu; Meng, Yifei; Klem, John F.; Hawkins, Samuel D.; Kim, Jin K.; Zuo, Jian-Min

2018-04-01

We show that Sb substitution for As in a MBE grown InAs/InAsSb strained layer superlattice (SLS) is accompanied by significant strain fluctuations. The SLS was observed using scanning transmission electron microscopy along the [100] zone axis where the cation and anion atomic columns are separately resolved. Strain analysis based on atomic column positions reveals asymmetrical transitions in the strain profile across the SLS interfaces. The averaged strain profile is quantitatively fitted to the segregation model, which yields a distribution of Sb in agreement with the scanning tunneling microscopy result. The subtraction of the calculated strain reveals an increase in strain fluctuations with the Sb concentration, as well as isolated regions with large strain deviations extending spatially over ˜1 nm, which suggest the presence of point defects.

Additive Manufacturing Consolidation of Low-Cost Water Atomized Steel Powder Using Micro-Induction Sintering

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carter, William G.; Rios, Orlando; U

ORNL worked with Grid Logic Inc to demonstrate micro induction sintering (MIS) and binder decomposition of steel powders. It was shown that MIS effectively emits spatially confined electromagnetic energy that is directly coupled to metallic powders resulting in resistive heating of individual particles. The non-uniformity of particle morphology and distribution of the water atomized steel powders resulted in inefficient transfer of energy. It was shown that adhering the particles together using polymer binders resulted in more efficient coupling. Using the MIS processes, debinding and sintering could be done in a single step. When combined with another system, such as binder-jet,more » this could reduce the amount of required post-processing. An invention disclosure was filed on hybrid systems that use MIS to reduce the amount of required post-processing.« less

Sb-induced strain fluctuations in a strained layer superlattice of InAs/InAsSb

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Honggyu; Meng, Yifei; Klem, John F.

Here, we show that Sb substitution for As in a MBE grown InAs/InAsSb strained layer superlattice (SLS) is accompanied by significant strain fluctuations. The SLS was observed using scanning transmission electron microscopy along the [100] zone axis where the cation and anion atomic columns are separately resolved. Strain analysis based on atomic column positions reveals asymmetrical transitions in the strain profile across the SLS interfaces. The averaged strain profile is quantitatively fitted to the segregation model, which yields a distribution of Sb in agreement with our scanning tunneling microscopy result. The subtraction of the calculated strain reveals an increase inmore » strain fluctuations with the Sb concentration, as well as isolated regions with large strain deviations extending spatially over ~1 nm, which suggest the presence of point defects.« less

Investigation on circular asymmetry of geographical distribution in cancer mortality of Hiroshima atomic bomb survivors based on risk maps: analysis of spatial survival data.

PubMed

Tonda, Tetsuji; Satoh, Kenichi; Otani, Keiko; Sato, Yuya; Maruyama, Hirofumi; Kawakami, Hideshi; Tashiro, Satoshi; Hoshi, Masaharu; Ohtaki, Megu

2012-05-01

While there is a considerable number of studies on the relationship between the risk of disease or death and direct exposure from the atomic bomb in Hiroshima, the risk for indirect exposure caused by residual radioactivity has not yet been fully evaluated. One of the reasons is that risk assessments have utilized estimated radiation doses, but that it is difficult to estimate indirect exposure. To evaluate risks for other causes, including indirect radiation exposure, as well as direct exposure, a statistical method is described here that evaluates risk with respect to individual location at the time of atomic bomb exposure instead of radiation dose. In addition, it is also considered to split the risks into separate risks due to direct exposure and other causes using radiation dose. The proposed method is applied to a cohort study of Hiroshima atomic bomb survivors. The resultant contour map suggests that the region west to the hypocenter has a higher risk compared to other areas. This in turn suggests that there exists an impact on risk that cannot be explained by direct exposure.

Morphological evolution of Ge/Si(001) quantum dot rings formed at the rim of wet-etched pits.

PubMed

Grydlik, Martyna; Brehm, Moritz; Schäffler, Friedrich

2012-10-30

We demonstrate the formation of Ge quantum dots in ring-like arrangements around predefined {111}-faceted pits in the Si(001) substrate. We report on the complex morphological evolution of the single quantum dots contributing to the rings by means of atomic force microscopy and demonstrate that by careful adjustment of the epitaxial growth parameters, such rings containing densely squeezed islands can be grown with large spatial distances of up to 5 μm without additional nucleation of randomly distributed quantum dots between the rings.

Few-cycle carrier envelope phase-dependent stereo detection of electrons.

PubMed

Verhoef, Aart J; Fernández, Alma; Lezius, Matthias; O'Keeffe, Kevin; Uiberacker, Matthias; Krausz, Ferenc

2006-12-01

The spatial distribution of electrons emitted from atoms by few-cycle optical fields is known to be dependent on the carrier envelope phase, i.e., the phase of the field with respect to the pulse envelope. With respect to Paulus et al. [Phys. Rev. Lett.91, 253004 (2003)] we propose a greatly simplified device to measure and control the carrier envelope phase of few-cycle pulses with an accuracy of better than pi/10 based on this principle. We compared different schemes to control the carrier envelope phase of our pulses.

Stochastic simulation of the spray formation assisted by a high pressure

NASA Astrophysics Data System (ADS)

Gorokhovski, M.; Chtab-Desportes, A.; Voloshina, I.; Askarova, A.

2010-03-01

The stochastic model of spray formation in the vicinity of the injector and in the far-field has been described and assessed by comparison with measurements in Diesel-like conditions. In the proposed mesh-free approach, the 3D configuration of continuous liquid core is simulated stochastically by ensemble of spatial trajectories of the specifically introduced stochastic particles. The parameters of the stochastic process are presumed from the physics of primary atomization. The spray formation model consists in computation of spatial distribution of the probability of finding the non-fragmented liquid jet in the near-to-injector region. This model is combined with KIVA II computation of atomizing Diesel spray in two-ways. First, simultaneously with the gas phase RANS computation, the ensemble of stochastic particles is tracking and the probability field of their positions is calculated, which is used for sampling of initial locations of primary blobs. Second, the velocity increment of the gas due to the liquid injection is computed from the mean volume fraction of the simulated liquid core. Two novelties are proposed in the secondary atomization modeling. The first one is due to unsteadiness of the injection velocity. When the injection velocity increment in time is decreasing, the supplementary breakup may be induced. Therefore the critical Weber number is based on such increment. Second, a new stochastic model of the secondary atomization is proposed, in which the intermittent turbulent stretching is taken into account as the main mechanism. The measurements reported by Arcoumanis et al. (time-history of the mean axial centre-line velocity of droplet, and of the centre-line Sauter Mean Diameter), are compared with computations.

Regimes of Flow over Complex Structures of Endothelial Glycocalyx: A Molecular Dynamics Simulation Study.

PubMed

Jiang, Xi Zhuo; Feng, Muye; Ventikos, Yiannis; Luo, Kai H

2018-04-10

Flow patterns on surfaces grafted with complex structures play a pivotal role in many engineering and biomedical applications. In this research, large-scale molecular dynamics (MD) simulations are conducted to study the flow over complex surface structures of an endothelial glycocalyx layer. A detailed structure of glycocalyx has been adopted and the flow/glycocalyx system comprises about 5,800,000 atoms. Four cases involving varying external forces and modified glycocalyx configurations are constructed to reveal intricate fluid behaviour. Flow profiles including temporal evolutions and spatial distributions of velocity are illustrated. Moreover, streamline length and vorticity distributions under the four scenarios are compared and discussed to elucidate the effects of external forces and glycocalyx configurations on flow patterns. Results show that sugar chain configurations affect streamline length distributions but their impact on vorticity distributions is statistically insignificant, whilst the influence of the external forces on both streamline length and vorticity distributions are trivial. Finally, a regime diagram for flow over complex surface structures is proposed to categorise flow patterns.

The Dynamics of Quantum Discord and Entanglement of Three Atoms Coupled to Three Spatially Separate Cavities

NASA Astrophysics Data System (ADS)

He, Juan; Wu, Tao; Ye, Liu

2013-10-01

In this paper, we study the dynamics of quantum discord and entanglement of three identical two-level atoms simultaneously resonantly interacting with three spatially separate single-mode of high- Q cavities respectively. Taking advantage of the depiction quantum discord and entanglement of formation (EoF), we conclude that the discord and entanglement of atoms and cavities can be mediated by changing some parameters and the maximum values of discord and entanglement are independent on the couplings of cavities and atoms. In particular, there also exists quantum discord sudden death as well as entanglement sudden death and the time interval of the former is shorter than that of the later in the proposed quantum system. It is shown that the discord and entanglement of any two atoms among three atoms can be transferred to the corresponding cavities, and there exists discord and entanglement exchanging between the atoms and the corresponding cavities.

Structure and Dynamics of Hydroxyl-Functionalized Protic Ammonium Carboxylate Ionic Liquids.

PubMed

Thummuru, Dhileep Nagi Reddy; Mallik, Bhabani S

2017-10-26

We performed classical molecular dynamics simulations to investigate the structure and dynamics of protic ionic liquids, 2-hydroxy ethylammonium acetate, ethylammonium hydroxyacetate, and 2-hydroxyethylammonium hydroxyacetate at ambient conditions. Structural properties such as density, radial distribution functions, spatial distribution functions, and structure factors have been calculated. Dynamic properties such as mean square displacements, as well as residence and hydrogen bond dynamics have also been calculated. Hydrogen bond lifetimes and residence times change with the addition of hydroxyl groups. We observe that when a hydroxyl group is present on the cation, dynamics become very slow and it forms a strong hydrogen bond with carboxylate oxygen atoms of the anion. The hydroxyl functionalized ILs show more dynamic diversity than structurally similar ILs.

Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

NASA Astrophysics Data System (ADS)

Belianinov, Alex; Ganesh, Panchapakesan; Lin, Wenzhi; Sales, Brian C.; Sefat, Athena S.; Jesse, Stephen; Pan, Minghu; Kalinin, Sergei V.

2014-12-01

Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1-xSex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.

Proximity-induced magnetism in transition-metal substituted graphene

PubMed Central

Crook, Charles B.; Constantin, Costel; Ahmed, Towfiq; Zhu, Jian-Xin; Balatsky, Alexander V.; Haraldsen, Jason T.

2015-01-01

We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, where the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction. PMID:26235646

Spatial-mode storage in a gradient-echo memory

NASA Astrophysics Data System (ADS)

Higginbottom, D. B.; Sparkes, B. M.; Rancic, M.; Pinel, O.; Hosseini, M.; Lam, P. K.; Buchler, B. C.

2012-08-01

Three-level atomic gradient echo memory (Λ-GEM) is a proposed candidate for efficient quantum storage and for linear optical quantum computation with time-bin multiplexing [Hosseini , Nature (London)NATUAS0028-083610.1038/nature08325 461, 241 (2009)]. In this paper we investigate the spatial multimode properties of a Λ-GEM system. Using a high-speed triggered CCD, we demonstrate the storage of complex spatial modes and images. We also present an in-principle demonstration of spatial multiplexing by showing selective recall of spatial elements of a stored spin wave. Using our measurements, we consider the effect of diffusion within the atomic vapor and investigate its role in spatial decoherence. Our measurements allow us to quantify the spatial distortion due to both diffusion and inhomogeneous control field scattering and compare these to theoretical models.

Mercury exosphere. III: Energetic characterization of its sodium component

NASA Astrophysics Data System (ADS)

Leblanc, Francois; Chaufray, Jean-Yves; Doressoundiram, Alain; Berthelier, Jean-Jacques; Mangano, Valeria; López-Ariste, Arturo; Borin, Patrizia

2013-04-01

Mercury's sodium exosphere has been observed only few times with high spectral resolution from ground based observatories enabling the analysis of the emission spectra. These observations highlighted the energetic state of the sodium exospheric atoms relative to the surface temperature. More recently, the Doppler shift of the exospheric Na atoms was measured and interpreted as consistent with an exosphere moving outwards from the subsolar point (Potter, A.E., Morgan, T.H., Killen, R.E. [2009]. Icarus 204, 355-367). Using THEMIS solar telescope, we observed Mercury's sodium exosphere with very high spectral resolution at two opposite positions of its orbit. Using this very high spectral resolution and the scanning capabilities of THEMIS, we were able to reconstruct the 2D spatial distributions of the Doppler shifts and widths of the sodium atomic Na D2 and D1 lines. These observations revealed surprisingly large Doppler shift as well as spectral width consistent with previous observations. Starting from our 3D model of Mercury Na exosphere (Mercury Exosphere Global Circulation Model, Leblanc, F., Johnson, R.E. [2010]. Icarus 209, 280-300), we coupled this model with a 3D radiative transfer model described in a companion paper (Chaufray, J.Y., Leblanc, F. [2013]. Icarus, submitted for publication) which allows us to properly treat the non-maxwellian state of the simulated sodium exospheric population. Comparisons between THEMIS observations and simulations suggest that the previously observed energetic state of the Na exosphere might be essentially explained by a state of the Na exospheric atoms far from thermal equilibrium along with the Doppler shift dispersion of the Na atoms induced by the solar radiation pressure. However, the Doppler shift of the spectral lines cannot be explained by our modelling, suggesting either an exosphere spatially structured very differently than in our model or the inaccuracy of the spectral calibration when deriving the Doppler shift.

The distribution of atomic hydrogen and oxygen in the magnetosphere of Saturn

NASA Astrophysics Data System (ADS)

Melin, Henrik; Shemansky, Don E.; Liu, Xianming

2009-12-01

The intensity of H Ly α1216A˚ ( 2P- 1S) and OI 1304A˚ ( 2p33s3S-2p4P) is mapped in the magnetosphere of Saturn using the ultraviolet imaging spectrograph (UVIS) [Esposito, L.W., Barth, C.A., Colwell, J.E., Lawrence, G.M., McClintock, W.E., Stewart, A.I.F., Keller, H.U., Korth, A., Lauche, H., Festou, M.C., Lane, A.L., Hansen, C.J., Maki, J.N., West, R.A., Jahn, H., Reulke, R., Warlich, K., Shemansky, D.E., Yung, Y.L., 2004. The Cassini ultraviolet imaging spectrograph investigation. Space Science Reviews 115, 299-361] onboard Cassini. Spatial coverage is built up by stepping the slit sequentially across the system (system scan). Data are obtained at a large range of space-craft-Saturn distances. The observed atomic hydrogen distribution is very broad, extending beyond 40RS in the equatorial plane, with the intensity increasing with decreasing distances to Saturn. The distribution displays persistent local-time asymmetries, and is seen connecting continuously to the upper atmosphere of the planet at sub-solar latitudes located well outside of the equatorial (ring) plane. This is consistent with the source of the atomic hydrogen being located at the top of the atmosphere on the sun-lit side of the planet on the southern hemisphere. In addition there are a number of temporally persistent features in the intensity distribution, indicating a complex hydrogen energy distribution. The emission from OI 1304A˚ is generally distributed as a broad torus centered around ˜4RS although the position of the peak intensity can vary by as much as ±1RS. There is significant intensity present out to ±10RS. HST observations of hydroxyl (OH) are re-analyzed and display a distribution half as broad as that of oxygen, also centered at 4RS. The observed atomic oxygen distribution requires a sourcing of 1.3×1028atomss-1 against loss due to charge capture with the plasma. Using the ion partitioning of Schippers et al. [2008. Multi-instrument analysis of electron populations in Saturn's magnetosphere. Journal of Geophysical Research (Space Physics) 113 (A12) 7208-+] then recombination of H2O+ and H3O+ will account for about a quarter of the mass-loss in the inner magnetosphere, with charge capture of O+ accounting for the rest. The oxygen loss rate is seen to vary by 2×1027atomss-1 over periods of weeks.

Dynamics of low- and high-Z metal ions emitted during nanosecond laser-produced plasmas

NASA Astrophysics Data System (ADS)

Elsied, Ahmed M.; Diwakar, Prasoon K.; Polek, Mathew; Hassanein, Ahmed

2016-11-01

Dynamics of metal ions during laser-produced plasmas was studied. A 1064 nm, Nd: YAG laser pulse was used to ablate pure Al, Fe, Co, Mo, and Sn samples. Ion flux and velocity were measured using Faraday cup ion collector. Time-of-flight measurements showed decreasing ion flux and ion velocity with increasing atomic weight, and heavy metal ion flux profile exhibited multiple peaks that was not observed in lighter metals. Slow peak was found to follow shifted Maxwell Boltzmann distribution, while the fast peak was found to follow Gaussian distribution. Ion flux angular distribution that was carried out on Mo and Al using fixed laser intensity 2.5 × 1010 W/cm2 revealed that the slow ion flux peaks at small angles, that is, close to normal to the target ˜0° independent of target's atomic weight, and fast ion flux for Mo peaks at large angles ˜40° measured from the target normal, while it completely absents for Al. This difference in spatial and temporal distribution reveals that the emission mechanism of the fast and slow ions is different. From the slow ion flux angular distribution, the measured plume expansion ratio (plume forward peaking) was 1.90 and 2.10 for Al and Mo, respectively. Moreover, the effect of incident laser intensity on the ion flux emission as well as the emitted ion velocity were investigated using laser intensities varying from 2.5 × 1010 W/cm2 to 1.0 × 1011 W/cm2. Linear increase of fast ion flux and velocity, and quadratic increase of slow ion flux and velocity were observed. For further understanding of plume dynamics, laser optical emission spectroscopy was used to characterize Sn plasma by measuring the temporal and spatial evolution of plasma electron density Ne and electron temperature Te. At 3.5 mm away from the target, plasma density showed slow decrease with time, however electron temperature was observed to decrease dramatically. The maximum plasma density and temperature occurred at 0.5 mm away from target and were measured to be 8.0 × 1017 cm-3 and 1.3 eV, respectively.

Atomic-Resolution Spectrum Imaging of Semiconductor Nanowires.

PubMed

Zamani, Reza R; Hage, Fredrik S; Lehmann, Sebastian; Ramasse, Quentin M; Dick, Kimberly A

2018-03-14

Over the past decade, III-V heterostructure nanowires have attracted a surge of attention for their application in novel semiconductor devices such as tunneling field-effect transistors (TFETs). The functionality of such devices critically depends on the specific atomic arrangement at the semiconductor heterointerfaces. However, most of the currently available characterization techniques lack sufficient spatial resolution to provide local information on the atomic structure and composition of these interfaces. Atomic-resolution spectrum imaging by means of electron energy-loss spectroscopy (EELS) in the scanning transmission electron microscope (STEM) is a powerful technique with the potential to resolve structure and chemical composition with sub-angstrom spatial resolution and to provide localized information about the physical properties of the material at the atomic scale. Here, we demonstrate the use of atomic-resolution EELS to understand the interface atomic arrangement in three-dimensional heterostructures in semiconductor nanowires. We observed that the radial interfaces of GaSb-InAs heterostructure nanowires are atomically abrupt, while the axial interface in contrast consists of an interfacial region where intermixing of the two compounds occurs over an extended spatial region. The local atomic configuration affects the band alignment at the interface and, hence, the charge transport properties of devices such as GaSb-InAs nanowire TFETs. STEM-EELS thus represents a very promising technique for understanding nanowire physical properties, such as differing electrical behavior across the radial and axial heterointerfaces of GaSb-InAs nanowires for TFET applications.

Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts

NASA Astrophysics Data System (ADS)

Devaraj, Arun; Vijayakumar, Murugesan; Bao, Jie; Guo, Mond F.; Derewinski, Miroslaw A.; Xu, Zhijie; Gray, Michel J.; Prodinger, Sebastian; Ramasamy, Karthikeyan K.

2016-11-01

The formation of carbonaceous deposits (coke) in zeolite pores during catalysis leads to temporary deactivation of catalyst, necessitating regeneration steps, affecting throughput, and resulting in partial permanent loss of catalytic efficiency. Yet, even to date, the coke molecule distribution is quite challenging to study with high spatial resolution from surface to bulk of the catalyst particles at a single particle level. To address this challenge we investigated the coke molecules in HZSM-5 catalyst after ethanol conversion treatment by a combination of C K-edge X-ray absorption spectroscopy (XAS), 13C Cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR) spectroscopy, and atom probe tomography (APT). XAS and NMR highlighted the aromatic character of coke molecules. APT permitted the imaging of the spatial distribution of hydrocarbon molecules located within the pores of spent HZSM-5 catalyst from surface to bulk at a single particle level. 27Al NMR results and APT results indicated association of coke molecules with Al enriched regions within the spent HZSM-5 catalyst particles. The experimental results were additionally validated by a level-set-based APT field evaporation model. These results provide a new approach to investigate catalytic deactivation due to hydrocarbon coking or poisoning of zeolites at an unprecedented spatial resolution.

Discerning the Location and Nature of Coke Deposition from Surface to Bulk of Spent Zeolite Catalysts

PubMed Central

Devaraj, Arun; Vijayakumar, Murugesan; Bao, Jie; Guo, Mond F.; Derewinski, Miroslaw A.; Xu, Zhijie; Gray, Michel J.; Prodinger, Sebastian; Ramasamy, Karthikeyan K.

2016-01-01

The formation of carbonaceous deposits (coke) in zeolite pores during catalysis leads to temporary deactivation of catalyst, necessitating regeneration steps, affecting throughput, and resulting in partial permanent loss of catalytic efficiency. Yet, even to date, the coke molecule distribution is quite challenging to study with high spatial resolution from surface to bulk of the catalyst particles at a single particle level. To address this challenge we investigated the coke molecules in HZSM-5 catalyst after ethanol conversion treatment by a combination of C K-edge X-ray absorption spectroscopy (XAS), 13C Cross polarization-magic angle spinning nuclear magnetic resonance (CP-MAS NMR) spectroscopy, and atom probe tomography (APT). XAS and NMR highlighted the aromatic character of coke molecules. APT permitted the imaging of the spatial distribution of hydrocarbon molecules located within the pores of spent HZSM-5 catalyst from surface to bulk at a single particle level. 27Al NMR results and APT results indicated association of coke molecules with Al enriched regions within the spent HZSM-5 catalyst particles. The experimental results were additionally validated by a level-set–based APT field evaporation model. These results provide a new approach to investigate catalytic deactivation due to hydrocarbon coking or poisoning of zeolites at an unprecedented spatial resolution. PMID:27876869

Random field assessment of nanoscopic inhomogeneity of bone

PubMed Central

Dong, X. Neil; Luo, Qing; Sparkman, Daniel M.; Millwater, Harry R.; Wang, Xiaodu

2010-01-01

Bone quality is significantly correlated with the inhomogeneous distribution of material and ultrastructural properties (e.g., modulus and mineralization) of the tissue. Current techniques for quantifying inhomogeneity consist of descriptive statistics such as mean, standard deviation and coefficient of variation. However, these parameters do not describe the spatial variations of bone properties. The objective of this study was to develop a novel statistical method to characterize and quantitatively describe the spatial variation of bone properties at ultrastructural levels. To do so, a random field defined by an exponential covariance function was used to present the spatial uncertainty of elastic modulus by delineating the correlation of the modulus at different locations in bone lamellae. The correlation length, a characteristic parameter of the covariance function, was employed to estimate the fluctuation of the elastic modulus in the random field. Using this approach, two distribution maps of the elastic modulus within bone lamellae were generated using simulation and compared with those obtained experimentally by a combination of atomic force microscopy and nanoindentation techniques. The simulation-generated maps of elastic modulus were in close agreement with the experimental ones, thus validating the random field approach in defining the inhomogeneity of elastic modulus in lamellae of bone. Indeed, generation of such random fields will facilitate multi-scale modeling of bone in more pragmatic details. PMID:20817128

Three-dimensional rearrangement of single atoms using actively controlled optical microtraps.

PubMed

Lee, Woojun; Kim, Hyosub; Ahn, Jaewook

2016-05-02

We propose and demonstrate three-dimensional rearrangements of single atoms. In experiments performed with single ⁸⁷Rb atoms in optical microtraps actively controlled by a spatial light modulator, we demonstrate various dynamic rearrangements of up to N = 9 atoms including rotation, 2D vacancy filling, guiding, compactification, and 3D shuffling. With the capability of a phase-only Fourier mask to generate arbitrary shapes of the holographic microtraps, it was possible to place single atoms at arbitrary geometries of a few μm size and even continuously reconfigure them by conveying each atom. For this purpose, we loaded a series of computer-generated phase masks in the full frame rate of 60 Hz of the spatial light modulator, so the animation of phase mask transformed the holographic microtraps in real time, driving each atom along the assigned trajectory. Possible applications of this method of transformation of single atoms include preparation of scalable quantum platforms for quantum computation, quantum simulation, and quantum many-body physics.

Improved Root Normal Size Distributions for Liquid Atomization

DTIC Science & Technology

2015-11-01

Jackson, Primary Breakup of Round Aerated- Liquid Jets in Supersonic Crossflows, Atomization and Sprays, 16(6), 657-672, 2006 H. C. Simmons, The...Breakup in Liquid - Gas Mixing Layers, Atomization and Sprays, 1, 421-440, 1991 P.-K. Wu, L.-K. Tseng, and G. M. Faeth, Primary Breakup in Gas / Liquid ...Improved Root Normal Size Distributions for Liquid Atomization Distribution Statement A. Approved for public release; distribution is unlimited

Deceleration processes of secondary electrons produced by a high-energy Auger electron in a biological context.

PubMed

Kai, Takeshi; Yokoya, Akinari; Ukai, Masatoshi; Fujii, Kentaro; Watanabe, Ritsuko

2016-11-01

To simulate the deceleration processes of secondary electrons produced by a high-energy Auger electron in water, and particularly to focus on the spatial and temporal distributions of the secondary electron and the collision events (e.g. ionization, electronic excitation, and dissociative electron attachment) that are involved in the multiplication of lesions at sites of DNA damage. We developed a dynamic Monte Carlo code that considers the Coulombic force between an ejected electron and its parent cation produced by the Auger electron in water. Thus our code can simulate some return electrons to the parent cations. Using the code, we calculated to within the order of femtoseconds the temporal evolution of collision events, the mean energy, and the mean traveling distance (including its spatial probability distribution) of the electron at an ejected energy of 20 eV. Some of the decelerating electrons in water in the Coulombic field were attracted to the ionized atoms (cations) by the Coulombic force within hundreds of femtoseconds, although the force did not significantly enhance the number of ionization, electronic excitation, and dissociative electron attachment collision events leading to water radiolysis. The secondary electrons are decelerated in water by the Coulombic force and recombined to the ionized atoms (cations). Furthermore, the some return electrons might be prehydrated in water layer near the parent cation in DNA if the electrons might be emitted from the DNA. The prehydrated electron originated from the return electron might play a significant role in inducing DNA damage.

Dopant-induced ignition of helium nanoplasmas—a mechanistic study

NASA Astrophysics Data System (ADS)

Heidenreich, Andreas; Schomas, Dominik; Mudrich, Marcel

2017-12-01

Helium (He) nanodroplets irradiated by intense near-infrared laser pulses form a nanoplasma by avalanche-like electron impact ionizations (EIIs) even at lower laser intensities where He is not directly field ionized, provided that the droplets contain a few dopant atoms which provide seed electrons for the EII avalanche. In this theoretical paper on calcium and xenon doped He droplets we elucidate the mechanism which induces ionization avalanches, termed ignition. We find that the partial loss of seed electrons from the activated droplets starkly assists ignition, as the Coulomb barrier for ionization of helium is lowered by the electric field of the dopant cations, and this deshielding of the cation charges enhances their electric field. In addition, the dopant ions assist the acceleration of the seed electrons (slingshot effect) by the laser field, supporting EIIs of He and also causing electron loss by catapulting electrons away. The dopants’ ability to lower the Coulomb barriers at He as well as the slingshot effect decrease with the spatial expansion of the dopant, causing a dependence of the dopants’ ignition capability on the dopant mass. Here, we develop criteria (impact count functions) to assess the ignition capability of dopants, based on (i) the spatial overlap of the seed electron cloud with the He atoms and (ii) the overlap of their kinetic energy distribution with the distribution of Coulomb barrier heights at He. The relatively long time delays between the instants of dopant ionization and ignition (incubation times) for calcium doped droplets are determined to a large extent by the time it takes to deshield the dopant ions.

Near-Resonant Imaging of Trapped Cold Atomic Samples

PubMed Central

You, L.; Lewenstein, Maciej

1996-01-01

We study the formation of diffraction patterns in the near-resonant imaging of trapped cold atomic samples. We show that the spatial imaging can provide detailed information on the trapped atomic clouds. PMID:27805110

Methods and apparatus of spatially resolved electroluminescence of operating organic light-emitting diodes using conductive atomic force microscopy

NASA Technical Reports Server (NTRS)

Hersam, Mark C. (Inventor); Pingree, Liam S. C. (Inventor)

2008-01-01

A conductive atomic force microscopy (cAFM) technique which can concurrently monitor topography, charge transport, and electroluminescence with nanometer spatial resolution. This cAFM approach is particularly well suited for probing the electroluminescent response characteristics of operating organic light-emitting diodes (OLEDs) over short length scales.

Atom counting in HAADF STEM using a statistical model-based approach: methodology, possibilities, and inherent limitations.

PubMed

De Backer, A; Martinez, G T; Rosenauer, A; Van Aert, S

2013-11-01

In the present paper, a statistical model-based method to count the number of atoms of monotype crystalline nanostructures from high resolution high-angle annular dark-field (HAADF) scanning transmission electron microscopy (STEM) images is discussed in detail together with a thorough study on the possibilities and inherent limitations. In order to count the number of atoms, it is assumed that the total scattered intensity scales with the number of atoms per atom column. These intensities are quantitatively determined using model-based statistical parameter estimation theory. The distribution describing the probability that intensity values are generated by atomic columns containing a specific number of atoms is inferred on the basis of the experimental scattered intensities. Finally, the number of atoms per atom column is quantified using this estimated probability distribution. The number of atom columns available in the observed STEM image, the number of components in the estimated probability distribution, the width of the components of the probability distribution, and the typical shape of a criterion to assess the number of components in the probability distribution directly affect the accuracy and precision with which the number of atoms in a particular atom column can be estimated. It is shown that single atom sensitivity is feasible taking the latter aspects into consideration. © 2013 Elsevier B.V. All rights reserved.

Composition-dependent structural and transport properties of amorphous transparent conducting oxides

NASA Astrophysics Data System (ADS)

Khanal, Rabi; Buchholz, D. Bruce; Chang, Robert P. H.; Medvedeva, Julia E.

2015-05-01

Structural properties of amorphous In-based oxides, In -X -O with X =Zn , Ga, Sn, or Ge, are investigated using ab initio molecular dynamics liquid-quench simulations. The results reveal that indium retains its average coordination of 5.0 upon 20% X fractional substitution for In, whereas X cations satisfy their natural coordination with oxygen atoms. This finding suggests that the carrier generation is primarily governed by In atoms, in accord with the observed carrier concentration in amorphous In-O and In -X -O . At the same time, the presence of X affects the number of six-coordinated In atoms as well as the oxygen sharing between the InO6 polyhedra. Based on the obtained interconnectivity and spatial distribution of the InO6 and XO x polyhedra in amorphous In -X -O , composition-dependent structural models of the amorphous oxides are derived. The results help explain our Hall mobility measurements in In -X -O thin films grown by pulsed-laser deposition and highlight the importance of long-range structural correlations in the formation of amorphous oxides and their transport properties.

Structure of 1-butylpyridinium tetrafluoroborate ionic liquid: quantum chemistry and molecular dynamic simulation studies.

PubMed

Sun, Hui; Qiao, Baofu; Zhang, Dongju; Liu, Chengbu

2010-03-25

Density functional theory (DFT) calculations combined with molecular dynamic (MD) simulations have been performed to show in detail the structure characteristic of 1-butylpyridinium tetrafluoroborate ([BPy(+)][BF(4)(-)]), a representative of pyridinium-based ionic liquids (ILs). It is found that the relative stability for ion pair configurations is synergically determined by the electrostatic attractions and the H-bond interactions between the ions of opposite charge. [BPy(+)][BF(4)(-)] IL possesses strong long-range ordered structure with cations and anions alternately arranging. The spatial distributions of anions and cations around the given cations are clearly shown, and T-shaped orientation is indicated to play a key role in the interaction between two pyridine rings. DFT calculations and MD simulations uniformly suggest that the H-bonds of the fluorine atoms with the hydrogen atoms on the pyridine rings are stronger than those of the fluorine atoms with the butyl chain hydrogens. The present results can offer useful information for understanding the physicochemical properties of [BPy(+)][BF(4)(-)] IL and further designing new pyridinium-based ILs.

Efficient epoxidation of a terminal alkene containing allylic hydrogen atoms: trans-methylstyrene on Cu{111}.

PubMed

Cropley, Rachael L; Williams, Federico J; Urquhart, Andrew J; Vaughan, Owain P H; Tikhov, Mintcho S; Lambert, Richard M

2005-04-27

The selective oxidation of trans-methylstyrene, a phenyl-substituted propene that contains labile allylic hydrogen atoms, has been studied on Cu{111}. Mass spectrometry and synchrotron fast XPS were used to detect, respectively, desorbing gaseous products and the evolution of surface species as a function of temperature and time. Efficient partial oxidation occurs yielding principally the epoxide, and the behavior of the system is sensitive to the order in which reactants are adsorbed. The latter is understandable in terms of differences in the spatial distribution of oxygen adatoms; isolated adatoms lead to epoxidation, while islands of "oxidic" oxygen do not. NEXAFS data taken over a range of coverages and in the presence and absence of coadsorbed oxygen indicate that the adsorbed alkene lies essentially flat with the allylic hydrogen atoms close to the surface. The photoemission results and comparison with the corresponding behavior of styrene on Cu{111} strongly suggest that allylic hydrogen abstraction is indeed a critical factor that limits epoxidation selectivity. An overall mechanism consistent with the structural and reactive properties is proposed.

Analysis of IUE Observations of Hydrogen in Comets

NASA Technical Reports Server (NTRS)

Combi, Michael R.; Feldman, Paul D.

1998-01-01

The 15-years worth of hydrogen Lyman-alpha observations of cometary comae obtained with the International Ultraviolet Explorer (IUE) satellite had gone generally unanalyzed because of two main modeling complications. First, the inner comae of many bright (gas productive) comets are often optically thick to solar Lyman-alpha radiation. Second, even in the case of a small comet (low gas production) the large IUE aperture is quite small as compared with the immense size of the hydrogen coma, so an accurate model which properly accounts for the spatial distribution of the coma is required to invert the infrared brightnesses to column densities and finally to H atom production rates. Our Monte Carlo particle trajectory model (MCPTM), which for the first time provides the realistic full phase space distribution of H atoms throughout the coma has been used as the basis for the analysis of IUE observations of the inner coma. The MCPTM includes the effects of the vectorial ejection of the H atoms upon dissociation of their parent species (H2O and OH) and of their partial collisional thermalization. Both of these effects are crucial to characterize the velocity distribution of the H atoms. This combination of the MCPTM and spherical radiative transfer code had already been shown to be successful in understanding the moderately optically thick coma of comet P/Giacobini-Zinner and the coma of comet Halley that varied from being slightly to very optically thick. Both of these comets were observed during solar minimum conditions. Solar activity affects both the photochemistry of water and the solar Lyman-alpha radiation flux. The overall plan of this program here was to concentrate on comets observed by IUE at other time during the solar cycle, most importantly during the two solar maxima of 1980 and 1990. Described herein are the work performed and the results obtained.

Non-destructive Faraday imaging of dynamically controlled ultracold atoms

NASA Astrophysics Data System (ADS)

Gajdacz, Miroslav; Pedersen, Poul; Mørch, Troels; Hilliard, Andrew; Arlt, Jan; Sherson, Jacob

2013-05-01

We investigate non-destructive measurements of ultra-cold atomic clouds based on dark field imaging of spatially resolved Faraday rotation. In particular, we pursue applications to dynamically controlled ultracold atoms. The dependence of the Faraday signal on laser detuning, atomic density and temperature is characterized in a detailed comparison with theory. In particular the destructivity per measurement is extremely low and we illustrate this by imaging the same cloud up to 2000 times. The technique is applied to avoid the effect of shot-to-shot fluctuations in atom number calibration. Adding dynamic changes to system parameters, we demonstrate single-run vector magnetic field imaging and single-run spatial imaging of the system's dynamic behavior. The method can be implemented particularly easily in standard imaging systems by the insertion of an extra polarizing beam splitter. These results are steps towards quantum state engineering using feedback control of ultracold atoms.

Direct evidence of atomic-scale structural fluctuations in catalyst nanoparticles.

PubMed

Lin, Pin Ann; Gomez-Ballesteros, Jose L; Burgos, Juan C; Balbuena, Perla B; Natarajan, Bharath; Sharma, Renu

2017-05-01

Rational catalyst design requires an atomic scale mechanistic understanding of the chemical pathways involved in the catalytic process. A heterogeneous catalyst typically works by adsorbing reactants onto its surface, where the energies for specific bonds to dissociate and/or combine with other species (to form desired intermediate or final products) are lower. Here, using the catalytic growth of single-walled carbon nanotubes (SWCNTs) as a prototype reaction, we show that the chemical pathway may in-fact involve the entire catalyst particle, and can proceed via the fluctuations in the formation and decomposition of metastable phases in the particle interior. We record in situ and at atomic resolution, the dynamic phase transformations occurring in a Cobalt catalyst nanoparticle during SWCNT growth, using a state-of-the-art environmental transmission electron microscope (ETEM). The fluctuations in catalyst carbon content are quantified by the automated, atomic-scale structural analysis of the time-resolved ETEM images and correlated with the SWCNT growth rate. We find the fluctuations in the carbon concentration in the catalyst nanoparticle and the fluctuations in nanotube growth rates to be of complementary character. These findings are successfully explained by reactive molecular dynamics (RMD) simulations that track the spatial and temporal evolution of the distribution of carbon atoms within and on the surface of the catalyst particle. We anticipate that our approach combining real-time, atomic-resolution image analysis and molecular dynamics simulations will facilitate catalyst design, improving reaction efficiencies and selectivity towards the growth of desired structure.

125Te NMR and Seebeck Effect in Bi 2Te 3 Synthesized from Stoichiometric and Te-Rich Melts

DOE PAGES

Levin, E. M.; Iowa State Univ., Ames, IA; Riedemann, T. M.; ...

2016-10-14

Bi 2Te 3 is a well-known thermoelectric material and, as a new form of quantum matter, a topological insulator. Variation of local chemical composition in Bi2Te3 results in formation of several types of atomic defects, including Bi and Te vacancies and Bi and Te antisite defects; these defects can strongly affect material functionality via generation of free electrons and/or holes. Nonuniform distribution of atomic defects produces electronic inhomogeneity, which can be detected by 125Te nuclear magnetic resonance (NMR). Here we report on 125Te NMR and Seebeck effect (heat to electrical energy conversion) for two single crystalline samples: (#1) grown frommore » stoichiometric composition by Bridgman technique and (#2) grown out of Te-rich, high temperature flux. The Seebeck coefficients of these samples show p- and n-type conductivity, respectively, arising from different atomic defects. 125Te NMR spectra and spin–lattice relaxation measurements demonstrate that both Bi 2Te 3 samples are electronically inhomogeneous at the atomic scale, which can be attributed to a different Te environment due to spatial variation of the Bi/Te ratio and formation of atomic defects. In conclusion, correlations between 125Te NMR spectra, spin–lattice relaxation times, the Seebeck coefficients, carrier concentrations, and atomic defects are discussed. Our data demonstrate that 125Te NMR is an effective probe to study antisite defects in Bi 2Te 3.« less

125Te NMR and Seebeck Effect in Bi 2Te 3 Synthesized from Stoichiometric and Te-Rich Melts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Levin, E. M.; Iowa State Univ., Ames, IA; Riedemann, T. M.

Bi 2Te 3 is a well-known thermoelectric material and, as a new form of quantum matter, a topological insulator. Variation of local chemical composition in Bi2Te3 results in formation of several types of atomic defects, including Bi and Te vacancies and Bi and Te antisite defects; these defects can strongly affect material functionality via generation of free electrons and/or holes. Nonuniform distribution of atomic defects produces electronic inhomogeneity, which can be detected by 125Te nuclear magnetic resonance (NMR). Here we report on 125Te NMR and Seebeck effect (heat to electrical energy conversion) for two single crystalline samples: (#1) grown frommore » stoichiometric composition by Bridgman technique and (#2) grown out of Te-rich, high temperature flux. The Seebeck coefficients of these samples show p- and n-type conductivity, respectively, arising from different atomic defects. 125Te NMR spectra and spin–lattice relaxation measurements demonstrate that both Bi 2Te 3 samples are electronically inhomogeneous at the atomic scale, which can be attributed to a different Te environment due to spatial variation of the Bi/Te ratio and formation of atomic defects. In conclusion, correlations between 125Te NMR spectra, spin–lattice relaxation times, the Seebeck coefficients, carrier concentrations, and atomic defects are discussed. Our data demonstrate that 125Te NMR is an effective probe to study antisite defects in Bi 2Te 3.« less

Spatial inhomogeneity in Schottky barrier height at graphene/MoS2 Schottky junctions

NASA Astrophysics Data System (ADS)

Tomer, D.; Rajput, S.; Li, L.

2017-04-01

Transport properties of graphene semiconductor Schottky junctions strongly depend on interfacial inhomogeneities due to the inherent formation of ripples and ridges. Here, chemical vapor deposited graphene is transferred onto multilayer MoS2 to fabricate Schottky junctions. These junctions exhibit rectifying current-voltage behavior with the zero bias Schottky barrier height increases and ideality factor decreases with increasing temperature between 210 and 300 K. Such behavior is attributed to the inhomogeneous interface that arises from graphene ripples and ridges, as revealed by atomic force and scanning tunneling microscopy imaging. Assuming a Gaussian distribution of the barrier height, a mean value of 0.96  ±  0.14 eV is obtained. These findings indicate a direct correlation between temperature dependent Schottky barrier height and spatial inhomogeneity in graphene/2D semiconductor Schottky junctions.

Superfluid state of atomic 6Li in a magnetic trap

NASA Astrophysics Data System (ADS)

Houbiers, M.; Ferwerda, R.; Stoof, H. T. C.; McAlexander, W. I.; Sackett, C. A.; Hulet, R. G.

1997-12-01

We report on a study of the superfluid state of spin-polarized atomic 6Li confined in a magnetic trap. Density profiles of this degenerate Fermi gas and the spatial distribution of the BCS order parameter are calculated in the local-density approximation. The critical temperature is determined as a function of the number of particles in the trap. Furthermore, we consider the mechanical stability of an interacting two-component Fermi gas, in the case of both attractive and repulsive interatomic interactions. For spin-polarized 6Li we also calculate the decay rate of the gas and show that within the mechanically stable regime of phase space, the lifetime is long enough to perform experiments on the gas below and above the critical temperature if a bias magnetic field of about 5 T is applied. Moreover, we propose that a measurement of the decay rate of the system might signal the presence of the superfluid state.

Single-ion microwave near-field quantum sensor

NASA Astrophysics Data System (ADS)

Wahnschaffe, M.; Hahn, H.; Zarantonello, G.; Dubielzig, T.; Grondkowski, S.; Bautista-Salvador, A.; Kohnen, M.; Ospelkaus, C.

2017-01-01

We develop an intuitive model of 2D microwave near-fields in the unusual regime of centimeter waves localized to tens of microns. Close to an intensity minimum, a simple effective description emerges with five parameters that characterize the strength and spatial orientation of the zero and first order terms of the near-field, as well as the field polarization. Such a field configuration is realized in a microfabricated planar structure with an integrated microwave conductor operating near 1 GHz. We use a single 9 Be+ ion as a high-resolution quantum sensor to measure the field distribution through energy shifts in its hyperfine structure. We find agreement with simulations at the sub-micron and few-degree level. Our findings give a clear and general picture of the basic properties of oscillatory 2D near-fields with applications in quantum information processing, neutral atom trapping and manipulation, chip-scale atomic clocks, and integrated microwave circuits.

Visualizing nanoscale 3D compositional fluctuation of lithium in advanced lithium-ion battery cathodes

PubMed Central

Devaraj, A.; Gu, M.; Colby, R.; Yan, P.; Wang, C. M.; Zheng, J. M.; Xiao, J.; Genc, A.; Zhang, J. G.; Belharouak, I.; Wang, D.; Amine, K.; Thevuthasan, S.

2015-01-01

The distribution of cations in Li-ion battery cathodes as a function of cycling is a pivotal characteristic of battery performance. The transition metal cation distribution has been shown to affect cathode performance; however, Li is notoriously challenging to characterize with typical imaging techniques. Here laser-assisted atom probe tomography (APT) is used to map the three-dimensional distribution of Li at a sub-nanometre spatial resolution and correlate it with the distribution of the transition metal cations (M) and the oxygen. As-fabricated layered Li1.2Ni0.2Mn0.6O2 is shown to have Li-rich Li2MO3 phase regions and Li-depleted Li(Ni0.5Mn0.5)O2 regions. Cycled material has an overall loss of Li in addition to Ni-, Mn- and Li-rich regions. Spinel LiNi0.5Mn1.5O4 is shown to have a uniform distribution of all cations. APT results were compared to energy dispersive spectroscopy mapping with a scanning transmission electron microscope to confirm the transition metal cation distribution. PMID:26272722

Impact of deformation on the atomic structures and dynamics of a Cu-Zr metallic glass: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Zhang, Y.; Mendelev, M. I.; Wang, C. Z.; Ott, R.; Zhang, F.; Besser, M. F.; Ho, K. M.; Kramer, M. J.

2014-11-01

Despite numerous studies on the atomic structures of Cu-Zr metallic glasses (MGs), their inherent structural ordering, e.g., medium-range order (MRO), remains difficult to describe. Specifically lacking is an understanding of how the MRO responds to deformation and the associated changes in atomic mobility. In this paper, we focus on the impact of deformation on MRO and associated effect on diffusion in a well-relaxed C u64.5Z r35.5 MG by molecular dynamics simulations. The Cu-Zr MG exhibits a larger elastic limit of 0.035 and a yield stress of 3.5 GPa. The cluster alignment method was employed to characterize the icosahedral short-range order (ISRO) and Bergman-type medium-range order (BMRO) in the models upon loading and unloading. From this analysis, we find the disruption of both ISRO and BMRO occurs as the strain reaches about 0.02, well below the elastic limit. Within the elastic limit, the total fractions of ISRO or BMRO can be fully recovered upon unloading. The diffusivity increases six to eight times in regions undergoing plastic deformation, which is due to the dramatic disruption of the ISRO and BMRO. By mapping the spatial distributions of the mobile atoms, we demonstrate the increase in atomic mobility is due to the extended regions of disrupted ISRO and more importantly BMRO.

Electronic and Spatial Structures of Water-Soluble Dinitrosyl Iron Complexes with Thiol-Containing Ligands Underlying Their Ability to Act as Nitric Oxide and Nitrosonium Ion Donors

PubMed Central

Vanin, Anatoly F.; Burbaev, Dosymzhan Sh.

2011-01-01

The ability of mononuclear dinitrosyl iron commplexes (M-DNICs) with thiolate ligands to act as NO donors and to trigger S-nitrosation of thiols can be explain only in the paradigm of the model of the [Fe+(NO+)2] core ({Fe(NO)2}7 according to the Enemark-Feltham classification). Similarly, the {(RS−)2Fe+(NO+)2}+ structure describing the distribution of unpaired electron density in M-DNIC corresponds to the low-spin (S = 1/2) state with a d7 electron configuration of the iron atom and predominant localization of the unpaired electron on MO(dz2) and the square planar structure of M-DNIC. On the other side, the formation of molecular orbitals of M-DNIC including orbitals of the iron atom, thiolate and nitrosyl ligands results in a transfer of electron density from sulfur atoms to the iron atom and nitrosyl ligands. Under these conditions, the positive charge on the nitrosyl ligands diminishes appreciably, the interaction of the ligands with hydroxyl ions or with thiols slows down and the hydrolysis of nitrosyl ligands and the S-nitrosating effect of the latter are not manifested. Most probably, the S-nitrosating effect of nitrosyl ligands is a result of weak binding of thiolate ligands to the iron atom under conditions favoring destabilization of M-DNIC. PMID:22505886

Electronic and spatial structures of water-soluble dinitrosyl iron complexes with thiol-containing ligands underlying their ability to act as nitric oxide and nitrosonium ion donors.

PubMed

Vanin, Anatoly F; Burbaev, Dosymzhan Sh

2011-01-01

The ability of mononuclear dinitrosyl iron commplexes (M-DNICs) with thiolate ligands to act as NO donors and to trigger S-nitrosation of thiols can be explain only in the paradigm of the model of the [Fe(+)(NO(+))(2)] core ({Fe(NO)(2)}(7) according to the Enemark-Feltham classification). Similarly, the {(RS(-))(2)Fe(+)(NO(+))(2)}(+) structure describing the distribution of unpaired electron density in M-DNIC corresponds to the low-spin (S = 1/2) state with a d(7) electron configuration of the iron atom and predominant localization of the unpaired electron on MO(d(z2)) and the square planar structure of M-DNIC. On the other side, the formation of molecular orbitals of M-DNIC including orbitals of the iron atom, thiolate and nitrosyl ligands results in a transfer of electron density from sulfur atoms to the iron atom and nitrosyl ligands. Under these conditions, the positive charge on the nitrosyl ligands diminishes appreciably, the interaction of the ligands with hydroxyl ions or with thiols slows down and the hydrolysis of nitrosyl ligands and the S-nitrosating effect of the latter are not manifested. Most probably, the S-nitrosating effect of nitrosyl ligands is a result of weak binding of thiolate ligands to the iron atom under conditions favoring destabilization of M-DNIC.

Finite-temperature stress calculations in atomic models using moments of position.

PubMed

Parthasarathy, Ranganathan; Misra, Anil; Ouyang, Lizhi

2018-07-04

Continuum modeling of finite temperature mechanical behavior of atomic systems requires refined description of atomic motions. In this paper, we identify additional kinematical quantities that are relevant for a more accurate continuum description as the system is subjected to step-wise loading. The presented formalism avoids the necessity for atomic trajectory mapping with deformation, provides the definitions of the kinematic variables and their conjugates in real space, and simplifies local work conjugacy. The total work done on an atom under deformation is decomposed into the work corresponding to changing its equilibrium position and work corresponding to changing its second moment about equilibrium position. Correspondingly, we define two kinematic variables: a deformation gradient tensor and a vibration tensor, and derive their stress conjugates, termed here as static and vibration stresses, respectively. The proposed approach is validated using MD simulation in NVT ensembles for fcc aluminum subjected to uniaxial extension. The observed evolution of second moments in the MD simulation with macroscopic deformation is not directly related to the transformation of atomic trajectories through the deformation gradient using generator functions. However, it is noteworthy that deformation leads to a change in the second moment of the trajectories. Correspondingly, the vibration part of the Piola stress becomes particularly significant at high temperature and high tensile strain as the crystal approaches the softening limit. In contrast to the eigenvectors of the deformation gradient, the eigenvectors of the vibration tensor show strong spatial heterogeneity in the vicinity of softening. More importantly, the elliptic distribution of local atomic density transitions to a dumbbell shape, before significant non-affinity in equilibrium positions has occurred.

Finite-temperature stress calculations in atomic models using moments of position

NASA Astrophysics Data System (ADS)

Parthasarathy, Ranganathan; Misra, Anil; Ouyang, Lizhi

2018-07-01

Continuum modeling of finite temperature mechanical behavior of atomic systems requires refined description of atomic motions. In this paper, we identify additional kinematical quantities that are relevant for a more accurate continuum description as the system is subjected to step-wise loading. The presented formalism avoids the necessity for atomic trajectory mapping with deformation, provides the definitions of the kinematic variables and their conjugates in real space, and simplifies local work conjugacy. The total work done on an atom under deformation is decomposed into the work corresponding to changing its equilibrium position and work corresponding to changing its second moment about equilibrium position. Correspondingly, we define two kinematic variables: a deformation gradient tensor and a vibration tensor, and derive their stress conjugates, termed here as static and vibration stresses, respectively. The proposed approach is validated using MD simulation in NVT ensembles for fcc aluminum subjected to uniaxial extension. The observed evolution of second moments in the MD simulation with macroscopic deformation is not directly related to the transformation of atomic trajectories through the deformation gradient using generator functions. However, it is noteworthy that deformation leads to a change in the second moment of the trajectories. Correspondingly, the vibration part of the Piola stress becomes particularly significant at high temperature and high tensile strain as the crystal approaches the softening limit. In contrast to the eigenvectors of the deformation gradient, the eigenvectors of the vibration tensor show strong spatial heterogeneity in the vicinity of softening. More importantly, the elliptic distribution of local atomic density transitions to a dumbbell shape, before significant non-affinity in equilibrium positions has occurred.

Atomic-resolution single-spin magnetic resonance detection concept based on tunneling force microscopy

NASA Astrophysics Data System (ADS)

Payne, A.; Ambal, K.; Boehme, C.; Williams, C. C.

2015-05-01

A study of a force detected single-spin magnetic resonance measurement concept with atomic spatial resolution is presented. The method is based upon electrostatic force detection of spin-selection rule controlled single-electron tunneling between two electrically isolated paramagnetic states. Single-spin magnetic resonance detection is possible by measuring the force detected tunneling charge noise on and off spin resonance. Simulation results of this charge noise, based upon physical models of the tunneling and spin physics, are directly compared to measured atomic force microscopy system noise. The results show that the approach could provide single-spin measurement of electrically isolated qubit states with atomic spatial resolution at room temperature.

Method and apparatus for differential spectroscopic atomic-imaging using scanning tunneling microscopy

DOEpatents

Kazmerski, Lawrence L.

1990-01-01

A Method and apparatus for differential spectroscopic atomic-imaging is disclosed for spatial resolution and imaging for display not only individual atoms on a sample surface, but also bonding and the specific atomic species in such bond. The apparatus includes a scanning tunneling microscope (STM) that is modified to include photon biasing, preferably a tuneable laser, modulating electronic surface biasing for the sample, and temperature biasing, preferably a vibration-free refrigerated sample mounting stage. Computer control and data processing and visual display components are also included. The method includes modulating the electronic bias voltage with and without selected photon wavelengths and frequency biasing under a stabilizing (usually cold) bias temperature to detect bonding and specific atomic species in the bonds as the STM rasters the sample. This data is processed along with atomic spatial topography data obtained from the STM raster scan to create a real-time visual image of the atoms on the sample surface.

Single atom array to form a Rydberg ring

NASA Astrophysics Data System (ADS)

Zhan, Mingsheng; Xu, Peng; He, Xiaodong; Liu, Min; Wang, Jin

2012-02-01

Single atom arrays are ideal quantum systems for studying few-body quantum simulation and quantum computation [1]. Towards realizing a fully controllable array we did a lot of experimental efforts, which include rotating single atoms in a ring optical lattice generated by a spatial light modulator [2], high efficient loading of two atoms into a microscopic optical trap by dynamically reshaping the trap with a spatial light modulator [3], and trapping a single atom in a blue detuned optical bottle beam trap [4]. Recently, we succeeded in trapping up to 6 atoms in a ring optical lattice with one atom in each site. Further laser cooling the array and manipulation of the inner states will provide chance to form Ryberg rings for quantum simulation. [4pt] [1] M. Saffman et al., Rev. Mod. Phys. 82, 2313 (2010)[0pt] [2] X.D. He et al., Opt. Express 17, 21014 (2009)[0pt] [3] X.D. He et al., Opt. Express 18, 13586 (2010)[0pt] [4] P. Xu et al., Opt. Lett. 35, 2164 (2010)

Spatial shaping for generating arbitrary optical dipole traps for ultracold degenerate gases

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jeffrey G., E-mail: jglee@umd.edu; Institute for Physical Science and Technology, University of Maryland, College Park, Maryland 20742; Hill, W. T., E-mail: wth@umd.edu

2014-10-15

We present two spatial-shaping approaches – phase and amplitude – for creating two-dimensional optical dipole potentials for ultracold neutral atoms. When combined with an attractive or repulsive Gaussian sheet formed by an astigmatically focused beam, atoms are trapped in three dimensions resulting in planar confinement with an arbitrary network of potentials – a free-space atom chip. The first approach utilizes an adaptation of the generalized phase-contrast technique to convert a phase structure embedded in a beam after traversing a phase mask, to an identical intensity profile in the image plane. Phase masks, and a requisite phase-contrast filter, can be chemicallymore » etched into optical material (e.g., fused silica) or implemented with spatial light modulators; etching provides the highest quality while spatial light modulators enable prototyping and realtime structure modification. This approach was demonstrated on an ensemble of thermal atoms. Amplitude shaping is possible when the potential structure is made as an opaque mask in the path of a dipole trap beam, followed by imaging the shadow onto the plane of the atoms. While much more lossy, this very simple and inexpensive approach can produce dipole potentials suitable for containing degenerate gases. High-quality amplitude masks can be produced with standard photolithography techniques. Amplitude shaping was demonstrated on a Bose-Einstein condensate.« less

Trapped Ring Current Ion Dynamics During the 17-18 March 2015 Geomagnetic Storm Obtained from TWINS ENA Images

NASA Astrophysics Data System (ADS)

Perez, J. D.; Goldstein, J.; McComas, D. J.; Valek, P. W.; Fok, M. C. H.; Hwang, K. J.

2015-12-01

On 17-18 March 2015, there was a large (minimum SYM/H < -200 nT) geomagnetic storm. The Two Wide-Angle Imaging Neutral Atom Spectrometers (TWINS) mission, the first stereoscopic ENA magnetospheric imager, provides global images of the inner magnetosphere from which global distributions of ion flux, energy spectra, and pitch angle distributions are obtained. We will show how the observed ion pressure correlates with SYM/H. Examples of multiple peaks in the ion spatial distribution which may be due to multiple injections and/or energy and pitch angle dependent drift will be illustrated. Energy spectra will be shown to be non-Maxwellian, frequently having two peaks, one in the 10 keV range and another near 40 keV. Pitch angle distributions will be shown to have generally perpendicular anisotropy and that this can be time, space and energy dependent. The results are consistent with Comprehensive Inner Magnetosphere-Ionosphere (CIMI) model simulations.

Prospects for Cherenkov Telescope Array Observations of the Young Supernova Remnant RX J1713.7-3946

NASA Astrophysics Data System (ADS)

Acero, F.; Aloisio, R.; Amans, J.; Amato, E.; Antonelli, L. A.; Aramo, C.; Armstrong, T.; Arqueros, F.; Asano, K.; Ashley, M.; Backes, M.; Balazs, C.; Balzer, A.; Bamba, A.; Barkov, M.; Barrio, J. A.; Benbow, W.; Bernlöhr, K.; Beshley, V.; Bigongiari, C.; Biland, A.; Bilinsky, A.; Bissaldi, E.; Biteau, J.; Blanch, O.; Blasi, P.; Blazek, J.; Boisson, C.; Bonanno, G.; Bonardi, A.; Bonavolontà, C.; Bonnoli, G.; Braiding, C.; Brau-Nogué, S.; Bregeon, J.; Brown, A. M.; Bugaev, V.; Bulgarelli, A.; Bulik, T.; Burton, M.; Burtovoi, A.; Busetto, G.; Böttcher, M.; Cameron, R.; Capalbi, M.; Caproni, A.; Caraveo, P.; Carosi, R.; Cascone, E.; Cerruti, M.; Chaty, S.; Chen, A.; Chen, X.; Chernyakova, M.; Chikawa, M.; Chudoba, J.; Cohen-Tanugi, J.; Colafrancesco, S.; Conforti, V.; Contreras, J. L.; Costa, A.; Cotter, G.; Covino, S.; Covone, G.; Cumani, P.; Cusumano, G.; D'Ammando, F.; D'Urso, D.; Daniel, M.; Dazzi, F.; De Angelis, A.; De Cesare, G.; De Franco, A.; De Frondat, F.; de Gouveia Dal Pino, E. M.; De Lisio, C.; de los Reyes Lopez, R.; De Lotto, B.; de Naurois, M.; De Palma, F.; Del Santo, M.; Delgado, C.; della Volpe, D.; Di Girolamo, T.; Di Giulio, C.; Di Pierro, F.; Di Venere, L.; Doro, M.; Dournaux, J.; Dumas, D.; Dwarkadas, V.; Díaz, C.; Ebr, J.; Egberts, K.; Einecke, S.; Elsässer, D.; Eschbach, S.; Falceta-Goncalves, D.; Fasola, G.; Fedorova, E.; Fernández-Barral, A.; Ferrand, G.; Fesquet, M.; Fiandrini, E.; Fiasson, A.; Filipovíc, M. D.; Fioretti, V.; Font, L.; Fontaine, G.; Franco, F. J.; Freixas Coromina, L.; Fujita, Y.; Fukui, Y.; Funk, S.; Förster, A.; Gadola, A.; Garcia López, R.; Garczarczyk, M.; Giglietto, N.; Giordano, F.; Giuliani, A.; Glicenstein, J.; Gnatyk, R.; Goldoni, P.; Grabarczyk, T.; Graciani, R.; Graham, J.; Grandi, P.; Granot, J.; Green, A. J.; Griffiths, S.; Gunji, S.; Hakobyan, H.; Hara, S.; Hassan, T.; Hayashida, M.; Heller, M.; Helo, J. C.; Hinton, J.; Hnatyk, B.; Huet, J.; Huetten, M.; Humensky, T. B.; Hussein, M.; Hörandel, J.; Ikeno, Y.; Inada, T.; Inome, Y.; Inoue, S.; Inoue, T.; Inoue, Y.; Ioka, K.; Iori, M.; Jacquemier, J.; Janecek, P.; Jankowsky, D.; Jung, I.; Kaaret, P.; Katagiri, H.; Kimeswenger, S.; Kimura, S.; Knödlseder, J.; Koch, B.; Kocot, J.; Kohri, K.; Komin, N.; Konno, Y.; Kosack, K.; Koyama, S.; Kraus, M.; Kubo, H.; Kukec Mezek, G.; Kushida, J.; La Palombara, N.; Lalik, K.; Lamanna, G.; Landt, H.; Lapington, J.; Laporte, P.; Lee, S.; Lees, J.; Lefaucheur, J.; Lenain, J.-P.; Leto, G.; Lindfors, E.; Lohse, T.; Lombardi, S.; Longo, F.; Lopez, M.; Lucarelli, F.; Luque-Escamilla, P. L.; López-Coto, R.; Maccarone, M. C.; Maier, G.; Malaguti, G.; Mandat, D.; Maneva, G.; Mangano, S.; Marcowith, A.; Martí, J.; Martínez, M.; Martínez, G.; Masuda, S.; Maurin, G.; Maxted, N.; Melioli, C.; Mineo, T.; Mirabal, N.; Mizuno, T.; Moderski, R.; Mohammed, M.; Montaruli, T.; Moralejo, A.; Mori, K.; Morlino, G.; Morselli, A.; Moulin, E.; Mukherjee, R.; Mundell, C.; Muraishi, H.; Murase, K.; Nagataki, S.; Nagayoshi, T.; Naito, T.; Nakajima, D.; Nakamori, T.; Nemmen, R.; Niemiec, J.; Nieto, D.; Nievas-Rosillo, M.; Nikołajuk, M.; Nishijima, K.; Noda, K.; Nogues, L.; Nosek, D.; Novosyadlyj, B.; Nozaki, S.; Ohira, Y.; Ohishi, M.; Ohm, S.; Okumura, A.; Ong, R. A.; Orito, R.; Orlati, A.; Ostrowski, M.; Oya, I.; Padovani, M.; Palacio, J.; Palatka, M.; Paredes, J. M.; Pavy, S.; Pe'er, A.; Persic, M.; Petrucci, P.; Petruk, O.; Pisarski, A.; Pohl, M.; Porcelli, A.; Prandini, E.; Prast, J.; Principe, G.; Prouza, M.; Pueschel, E.; Pühlhofer, G.; Quirrenbach, A.; Rameez, M.; Reimer, O.; Renaud, M.; Ribó, M.; Rico, J.; Rizi, V.; Rodriguez, J.; Rodriguez Fernandez, G.; Rodríguez Vázquez, J. J.; Romano, P.; Romeo, G.; Rosado, J.; Rousselle, J.; Rowell, G.; Rudak, B.; Sadeh, I.; Safi-Harb, S.; Saito, T.; Sakaki, N.; Sanchez, D.; Sangiorgi, P.; Sano, H.; Santander, M.; Sarkar, S.; Sawada, M.; Schioppa, E. J.; Schoorlemmer, H.; Schovanek, P.; Schussler, F.; Sergijenko, O.; Servillat, M.; Shalchi, A.; Shellard, R. C.; Siejkowski, H.; Sillanpää, A.; Simone, D.; Sliusar, V.; Sol, H.; Stanič, S.; Starling, R.; Stawarz, Ł.; Stefanik, S.; Stephan, M.; Stolarczyk, T.; Szanecki, M.; Szepieniec, T.; Tagliaferri, G.; Tajima, H.; Takahashi, M.; Takeda, J.; Tanaka, M.; Tanaka, S.; Tejedor, L. A.; Telezhinsky, I.; Temnikov, P.; Terada, Y.; Tescaro, D.; Teshima, M.; Testa, V.; Thoudam, S.; Tokanai, F.; Torres, D. F.; Torresi, E.; Tosti, G.; Townsley, C.; Travnicek, P.; Trichard, C.; Trifoglio, M.; Tsujimoto, S.; Vagelli, V.; Vallania, P.; Valore, L.; van Driel, W.; van Eldik, C.; Vandenbroucke, J.; Vassiliev, V.; Vecchi, M.; Vercellone, S.; Vergani, S.; Vigorito, C.; Vorobiov, S.; Vrastil, M.; Vázquez Acosta, M. L.; Wagner, S. J.; Wagner, R.; Wakely, S. P.; Walter, R.; Ward, J. E.; Watson, J. J.; Weinstein, A.; White, M.; White, R.; Wierzcholska, A.; Wilcox, P.; Williams, D. A.; Wischnewski, R.; Wojcik, P.; Yamamoto, T.; Yamamoto, H.; Yamazaki, R.; Yanagita, S.; Yang, L.; Yoshida, T.; Yoshida, M.; Yoshiike, S.; Yoshikoshi, T.; Zacharias, M.; Zampieri, L.; Zanin, R.; Zavrtanik, M.; Zavrtanik, D.; Zdziarski, A.; Zech, A.; Zechlin, H.; Zhdanov, V.; Ziegler, A.; Zorn, J.

2017-05-01

We perform simulations for future Cherenkov Telescope Array (CTA) observations of RX J1713.7-3946, a young supernova remnant (SNR) and one of the brightest sources ever discovered in very high energy (VHE) gamma rays. Special attention is paid to exploring possible spatial (anti)correlations of gamma rays with emission at other wavelengths, in particular X-rays and CO/H I emission. We present a series of simulated images of RX J1713.7-3946 for CTA based on a set of observationally motivated models for the gamma-ray emission. In these models, VHE gamma rays produced by high-energy electrons are assumed to trace the nonthermal X-ray emission observed by XMM-Newton, whereas those originating from relativistic protons delineate the local gas distributions. The local atomic and molecular gas distributions are deduced by the NANTEN team from CO and H I observations. Our primary goal is to show how one can distinguish the emission mechanism(s) of the gamma rays (I.e., hadronic versus leptonic, or a mixture of the two) through information provided by their spatial distribution, spectra, and time variation. This work is the first attempt to quantitatively evaluate the capabilities of CTA to achieve various proposed scientific goals by observing this important cosmic particle accelerator.

Protic ammonium carboxylate ionic liquids: insight into structure, dynamics and thermophysical properties by alkyl group functionalization.

PubMed

Reddy, Th Dhileep N; Mallik, Bhabani S

2017-04-19

This study is aimed at characterising the structure, dynamics and thermophysical properties of five alkylammonium carboxylate ionic liquids (ILs) from classical molecular dynamics simulations. The structural features of these ILs were characterised by calculating the site-site radial distribution functions, g(r), spatial distribution functions and structure factors. The structural properties demonstrate that ILs show greater interaction between cations and anions when alkyl chain length increases on the cation or anion. In all ILs, spatial distribution functions show that the anion is close to the acidic hydrogen atoms of the ammonium cation. We determined the role of alkyl group functionalization of the charged entities, cations and anions, in the dynamical behavior and the transport coefficients of this family of ionic liquids. The dynamics of ILs are described by studying the mean square displacement (MSD) of the centres of mass of the ions, diffusion coefficients, ionic conductivities and hydrogen bonds as well as residence dynamics. The diffusion coefficients and ionic conductivity decrease with an increase in the size of the cation or anion. The effect of alkyl chain length on ionic conductivity calculated in this article is consistent with the findings of other experimental studies. Hydrogen bond lifetimes and residence times along with structure factors were also calculated, and are related to alkyl chain length.

Theoretical overview and modeling of the sodium and potassium atmospheres of mercury

NASA Technical Reports Server (NTRS)

Smyth, William H.; Marconi, M. L.

1995-01-01

A general theoretical overview for the sources, sinks, gas-surface interactions, and transport dynamics of sodium and potassium in the exospheric atmsophere of Mercury is given. Information for these four factors, which control the spatial distribution of these two alkali-group gases about the planet, is incorporated in numerical models. The spatial nature and relative importance of the initial source atom atmosphere and the ambient (ballistic hopping) atom atmosphere are then examined and are shown to be controlled and coupled to a great extent by the extremely large and variable solar radiation acceleration experienced by sodium and potassium as they resonantly scatter solar photons. The lateral (antisunward) transport rate of thermally accommodated sodium and potassium ambient atoms is shown to be driven by the solar radiation acceleration and, over a significant portion of Mercury's orbit about the Sun, is sufficiently rapid to be competitive with the short photoionization lifetimes for these atoms when they are located on the summit surface near or within about 30 deg of the terminator. The lateral transport rate is characterized by a migration time determined by model calculations for an ensemble of atoms initially starting at a point source on the surface (i.e., a numerical spacetime dependent Green's function). Four animations for the spacetime evolution of the sodium (or potassium) atmosphere produced by a point source on the surface are presented on a videotape format. For extended surface sources for sodium and potassium, the local column density is determined by competition between the photoionization lifetimes and the lateral transport times of atoms originating from different surface source locations. Sodium surface source fluxes (referenced to Mercury at perihelion) that are required on the sunlit hemisphere to reproduce the typically observed several megarayleighs of D2 emission-line brightness and the inferred column densities of 1-2 x 10(exp 11) atoms per sq cm range from approximately 2-5 x 10(exp 7) atoms/sq cm/sec. The sodium model is applied to study observational data that document an anticorrelation in the average sodium column density and solar radiation acceleration. Lateral transport driven by the solar radiation acceleration is shown to produce this behavior for combinations of different sources and surface accomodation coefficients. The best fit model fits to the observational data require a significant degree of thermal accommodation of the ambient sodium atoms to the surface and a source rate that decreases as an inverse power of 1.5 to 2 in heliocentric distance.

Diagnosis of warm dense conditions in foil targets heated by intense femtosecond laser pulses using Kα imaging spectroscopy

DOE PAGES

Bae, L. J.; Zastrau, U.; Chung, H. -K.; ...

2018-03-01

Warm dense conditions in titanium foils irradiated with intense femtosecond laser pulses are diagnosed using an x-ray imaging spectroscopy technique. The line shapes of radially resolved titanium Kα spectra are measured with a toroidally bent GaAs crystal and an x-ray charge-coupled device. Measured spectra are compared with the K-shell emissions modeled using an atomic kinetics – spectroscopy simulation code. Kα line shapes are strongly affected by warm (5-40 eV) bulk electron temperatures and imply multiple temperature distributions in the targets. Finally, the spatial distribution of temperature is dependent on the target thickness, and a thin target shows an advantage tomore » generate uniform warm dense conditions in a large area.« less

Micromorphological characterization of zinc/silver particle composite coatings.

PubMed

Méndez, Alia; Reyes, Yolanda; Trejo, Gabriel; StĘpień, Krzysztof; Ţălu, Ştefan

2015-12-01

The aim of this study was to evaluate the three-dimensional (3D) surface micromorphology of zinc/silver particles (Zn/AgPs) composite coatings with antibacterial activity prepared using an electrodeposition technique. These 3D nanostructures were investigated over square areas of 5 μm × 5 μm by atomic force microscopy (AFM), fractal, and wavelet analysis. The fractal analysis of 3D surface roughness revealed that (Zn/AgPs) composite coatings have fractal geometry. Triangulation method, based on the linear interpolation type, applied for AFM data was employed in order to characterise the surfaces topographically (in amplitude, spatial distribution and pattern of surface characteristics). The surface fractal dimension Df , as well as height values distribution have been determined for the 3D nanostructure surfaces. © 2015 The Authors published by Wiley Periodicals, Inc.

Diagnosis of warm dense conditions in foil targets heated by intense femtosecond laser pulses using Kα imaging spectroscopy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bae, L. J.; Zastrau, U.; Chung, H. -K.

Warm dense conditions in titanium foils irradiated with intense femtosecond laser pulses are diagnosed using an x-ray imaging spectroscopy technique. The line shapes of radially resolved titanium Kα spectra are measured with a toroidally bent GaAs crystal and an x-ray charge-coupled device. Measured spectra are compared with the K-shell emissions modeled using an atomic kinetics – spectroscopy simulation code. Kα line shapes are strongly affected by warm (5-40 eV) bulk electron temperatures and imply multiple temperature distributions in the targets. Finally, the spatial distribution of temperature is dependent on the target thickness, and a thin target shows an advantage tomore » generate uniform warm dense conditions in a large area.« less

Theory of rotational transition in atom-diatom chemical reaction

NASA Astrophysics Data System (ADS)

Nakamura, Masato; Nakamura, Hiroki

1989-05-01

Rotational transition in atom-diatom chemical reaction is theoretically studied. A new approximate theory (which we call IOS-DW approximation) is proposed on the basis of the physical idea that rotational transition in reaction is induced by the following two different mechanisms: rotationally inelastic half collision in both initial and final arrangement channels, and coordinate transformation in the reaction zone. This theory gives a fairy compact expression for the state-to-state transition probability. Introducing the additional physically reasonable assumption that reaction (particle rearrangement) takes place in a spatially localized region, we have reduced this expression into a simpler analytical form which can explicitly give overall rotational state distribution in reaction. Numerical application was made to the H+H2 reaction and demonstrated its effectiveness for the simplicity. A further simplified most naive approximation, i.e., independent events approximation was also proposed and demonstrated to work well in the test calculation of H+H2. The overall rotational state distribution is expressed simply by a product sum of the transition probabilities for the three consecutive processes in reaction: inelastic transition in the initial half collision, transition due to particle rearrangement, and inelastic transition in the final half collision.

The Development of a New Model of Solar EUV Irradiance Variability

NASA Technical Reports Server (NTRS)

Warren, Harry; Wagner, William J. (Technical Monitor)

2002-01-01

The goal of this research project is the development of a new model of solar EUV (Extreme Ultraviolet) irradiance variability. The model is based on combining differential emission measure distributions derived from spatially and spectrally resolved observations of active regions, coronal holes, and the quiet Sun with full-disk solar images. An initial version of this model was developed with earlier funding from NASA. The new version of the model developed with this research grant will incorporate observations from SoHO as well as updated compilations of atomic data. These improvements will make the model calculations much more accurate.

Extended atmospheres of outer planet satellites and comets

NASA Technical Reports Server (NTRS)

Smyth, W. H.; Combi, M. R.

1985-01-01

Model analysis of the extended atmospheres of outer planet satellites and comets are discussed. Understanding the neutral hydrogen distribution in the Saturn system concentrated on assessing the spatial dependence of the lifetime of hydrogen atoms and on obtaining appropriately sorted Lyman ALPHA data from the Voyager 1 UVS instrument. Progress in the area of the extended cometary atmospheres included analysis of Pioneer Venus Layman alpha observations of Comet P/Encke with the fully refined hydrogen cloud model, development of the basic carbon and oxygen models, and planning for the Pioneer Venus UVS observations of Comets P/Giacobini-Zinner and P/Halley.

Development of Liquid Crystal Spatial Light Modulators for mid-IR Radiation, Addressed by Visible Radiation

DTIC Science & Technology

2002-10-01

POTENTIAL ENERGY DISTRIBUTION, % Further tables contain the frequencies of the most intense oscillations and the impact to the potential energy of atoms...0.96 µm diode pumping) 2F5/2 2F7/2 3H4 -23- In the Fig.3.1 is shown the working scheme of the active medium Yb- Pr:YLF(BYF). Energy , absorbed by... absorbed energy – 1 J, laser transition cross-section – σ = 2x10-21 cm2 [17]. Fig.3.4. Dependence of gain increment (kL) upon ytterbium concentration in

Algae Biofuels Co-Location Assessment Tool for Canada

DOE Office of Scientific and Technical Information (OSTI.GOV)

2011-11-29

The Algae Biofuels Co-Location Assessment Tool for Canada uses chemical stoichiometry to estimate Nitrogen, Phosphorous, and Carbon atom availability from waste water and carbon dioxide emissions streams, and requirements for those same elements to produce a unit of algae. This information is then combined to find limiting nutrient information and estimate potential productivity associated with waste water and carbon dioxide sources. Output is visualized in terms of distributions or spatial locations. Distances are calculated between points of interest in the model using the great circle distance equation, and the smallest distances found by an exhaustive search and sort algorithm.

Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

DOE PAGES

Belianinov, Alex; Panchapakesan, G.; Lin, Wenzhi; ...

2014-12-02

Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe0.55Se0.45 (Tc = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe1 x Sex structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified by their electronic signaturemore » and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.« less

Proximity-induced magnetism in transition-metal substituted graphene

DOE PAGES

Crook, Charles B.; Constantin, Costel; Ahmed, Towfiq; ...

2015-08-03

We investigate the interactions between two identical magnetic impurities substituted into a graphene superlattice. Using a first-principles approach, we calculate the electronic and magnetic properties for transition-metal substituted graphene systems with varying spatial separation. These calculations are compared for three different magnetic impurities, manganese, chromium, and vanadium. We determine the electronic band structure, density of states, and Millikan populations (magnetic moment) for each atom, as well as calculate the exchange parameter between the two magnetic atoms as a function of spatial separation. We find that the presence of magnetic impurities establishes a distinct magnetic moment in the graphene lattice, wheremore » the interactions are highly dependent on the spatial and magnetic characteristic between the magnetic and carbon atoms, which leads to either ferromagnetic or antiferromagnetic behavior. Furthermore, through an analysis of the calculated exchange energies and partial density of states, it is determined that interactions between the magnetic atoms can be classified as an RKKY interaction.« less

Research Update: Spatially resolved mapping of electronic structure on atomic level by multivariate statistical analysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Belianinov, Alex, E-mail: belianinova@ornl.gov; Ganesh, Panchapakesan; Lin, Wenzhi

2014-12-01

Atomic level spatial variability of electronic structure in Fe-based superconductor FeTe{sub 0.55}Se{sub 0.45} (T{sub c} = 15 K) is explored using current-imaging tunneling-spectroscopy. Multivariate statistical analysis of the data differentiates regions of dissimilar electronic behavior that can be identified with the segregation of chalcogen atoms, as well as boundaries between terminations and near neighbor interactions. Subsequent clustering analysis allows identification of the spatial localization of these dissimilar regions. Similar statistical analysis of modeled calculated density of states of chemically inhomogeneous FeTe{sub 1−x}Se{sub x} structures further confirms that the two types of chalcogens, i.e., Te and Se, can be identified bymore » their electronic signature and differentiated by their local chemical environment. This approach allows detailed chemical discrimination of the scanning tunneling microscopy data including separation of atomic identities, proximity, and local configuration effects and can be universally applicable to chemically and electronically inhomogeneous surfaces.« less

Four-dimensional ultrafast electron microscopy of phase transitions

PubMed Central

Grinolds, Michael S.; Lobastov, Vladimir A.; Weissenrieder, Jonas; Zewail, Ahmed H.

2006-01-01

Reported here is direct imaging (and diffraction) by using 4D ultrafast electron microscopy (UEM) with combined spatial and temporal resolutions. In the first phase of UEM, it was possible to obtain snapshot images by using timed, single-electron packets; each packet is free of space–charge effects. Here, we demonstrate the ability to obtain sequences of snapshots (“movies”) with atomic-scale spatial resolution and ultrashort temporal resolution. Specifically, it is shown that ultrafast metal–insulator phase transitions can be studied with these achieved spatial and temporal resolutions. The diffraction (atomic scale) and images (nanometer scale) we obtained manifest the structural phase transition with its characteristic hysteresis, and the time scale involved (100 fs) is now studied by directly monitoring coordinates of the atoms themselves. PMID:17130445

Surface charge dynamics and OH and H number density distributions in near-surface nanosecond pulse discharges at a liquid / vapor interface

NASA Astrophysics Data System (ADS)

Winters, Caroline; Petrishchev, Vitaly; Yin, Zhiyao; Lempert, Walter R.; Adamovich, Igor V.

2015-10-01

The present work provides insight into surface charge dynamics and kinetics of radical species reactions in nanosecond pulse discharges sustained at a liquid-vapor interface, above a distilled water surface. The near-surface plasma is sustained using two different discharge configurations, a surface ionization wave discharge between two exposed metal electrodes and a double dielectric barrier discharge. At low discharge pulse repetition rates (~100 Hz), residual surface charge deposition after the discharge pulse is a minor effect. At high pulse repetition rates (~10 kHz), significant negative surface charge accumulation over multiple discharge pulses is detected, both during alternating polarity and negative polarity pulse trains. Laser induced fluorescence (LIF) and two-photon absorption LIF (TALIF) line imaging are used for in situ measurements of spatial distributions of absolute OH and H atom number densities in near-surface, repetitive nanosecond pulse discharge plasmas. Both in a surface ionization wave discharge and in a double dielectric barrier discharge, peak measured H atom number density, [H] is much higher compared to peak OH number density, due to more rapid OH decay in the afterglow between the discharge pulses. Higher OH number density was measured near the regions with higher plasma emission intensity. Both OH and especially H atoms diffuse out of the surface ionization wave plasma volume, up to several mm from the liquid surface. Kinetic modeling calculations using a quasi-zero-dimensional H2O vapor / Ar plasma model are in qualitative agreement with the experimental data. The results demonstrate the experimental capability of in situ radical species number density distribution measurements in liquid-vapor interface plasmas, in a simple canonical geometry that lends itself to the validation of kinetic models.

Cooperative single-photon subradiant states in a three-dimensional atomic array

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jen, H.H., E-mail: sappyjen@gmail.com

2016-11-15

We propose a complete superradiant and subradiant states that can be manipulated and prepared in a three-dimensional atomic array. These subradiant states can be realized by absorbing a single photon and imprinting the spatially-dependent phases on the atomic system. We find that the collective decay rates and associated cooperative Lamb shifts are highly dependent on the phases we manage to imprint, and the subradiant state of long lifetime can be found for various lattice spacings and atom numbers. We also investigate both optically thin and thick atomic arrays, which can serve for systematic studies of super- and sub-radiance. Our proposal offers an alternative schememore » for quantum memory of light in a three-dimensional array of two-level atoms, which is applicable and potentially advantageous in quantum information processing. - Highlights: • Cooperative single-photon subradiant states in a three-dimensional atomic array. • Subradiant state manipulation via spatially-increasing phase imprinting. • Quantum storage of light in the subradiant state in two-level atoms.« less

Retrieval of the atomic displacements in the crystal from the coherent X-ray diffraction pattern.

PubMed

Minkevich, A A; Köhl, M; Escoubas, S; Thomas, O; Baumbach, T

2014-07-01

The retrieval of spatially resolved atomic displacements is investigated via the phases of the direct(real)-space image reconstructed from the strained crystal's coherent X-ray diffraction pattern. It is demonstrated that limiting the spatial variation of the first- and second-order spatial displacement derivatives improves convergence of the iterative phase-retrieval algorithm for displacements reconstructions to the true solution. This approach is exploited to retrieve the displacement in a periodic array of silicon lines isolated by silicon dioxide filled trenches.

Atomic oxygen dynamics in an air dielectric barrier discharge: a combined diagnostic and modeling approach

NASA Astrophysics Data System (ADS)

Baldus, Sabrina; Schröder, Daniel; Bibinov, Nikita; Schulz-von der Gathen, Volker; Awakowicz, Peter

2015-06-01

Cold atmospheric pressure plasmas are a promising alternative therapy for treatment of chronic wounds, as they have already shown in clinical trials. In this study an air dielectric barrier discharge (DBD) developed for therapeutic use in dermatology is characterized with respect to the plasma produced reactive oxygen species, namely atomic oxygen and ozone, which are known to be of great importance to wound healing. To understand the plasma chemistry of the applied DBD, xenon-calibrated two-photon laser-induced fluorescence spectroscopy and optical absorption spectroscopy are applied. The measured spatial distributions are shown and compared to each other. A model of the afterglow chemistry based on optical emission spectroscopy is developed to cross-check the measurement results and obtain insight into the dynamics of the considered reactive oxygen species. The atomic oxygen density is found to be located mostly between the electrodes with a maximum density of {{n}\\text{O}}=6× {{10}16} cm-3 . Time resolved measurements reveal a constant atomic oxygen density between two high voltage pulses. The ozone is measured up to 3 mm outside the active plasma volume, reaching a maximum value of {{n}{{\\text{O}3}}}=3× {{10}16} cm-3 between the electrodes.

Crystal structure and phase transition in (NH4)3WO2F5: from dynamic to static orientational disorder.

PubMed

Udovenko, Anatoly; Laptash, Natalia

2015-08-01

Single crystals of tungsten double salt (NH4)3WO2F5 = (NH4)3[WO2F4]F have been synthesized by solid-state reaction or from fluoride solution and its crystal structures at 296 and 193 K were determined by X-ray diffraction. At room temperature, the crystal structure of the compound is dynamically disordered with the ligand atoms statistically distributed on two positions (6e and 24m) of the Pm3m unit cell [a = 6.0298 (1) Å], and the tungsten atom dynamically disordered on 12 orientations forming a spatial cuboctahedron [W12] that enables the real geometry of cis-WO2F4 octahedron to be determined with two short W-O distances. On cooling, the compound undergoes a first-order phase transition with the symmetry change Pm3m → Pa3 and a doubling of the unit-cell parameter [a = 11.9635 (7) Å]. The ligand F(O) atoms statistically occupy two general 24d sites and form W1X6 and W2X6 octahedra, in which the O and F atoms are not crystallographically different that means a static orientational disorder of (NH4)3WO2F5.

Atom Probe Tomographic Mapping Directly Reveals the Atomic Distribution of Phosphorus in Resin Embedded Ferritin

NASA Astrophysics Data System (ADS)

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah; Dicken, Quinten; Thevuthasan, S. Theva; Browning, Nigel D.; Evans, James E.

2016-02-01

Here we report the atomic-scale analysis of biological interfaces within the ferritin protein using atom probe tomography that is facilitated by an advanced specimen preparation approach. Embedding ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualise atomic distributions and distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell, as well as the organic-organic interface between the ferritin protein shell and embedding resin. In addition, we definitively show the atomic-scale distribution of phosphorus as being at the surface of the ferrihydrite mineral with the distribution of sodium mapped within the protein shell environment with an enhanced distribution at the mineral/protein interface. The sample preparation method is robust and can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment.

Atom Probe Tomographic Mapping Directly Reveals the Atomic Distribution of Phosphorus in Resin Embedded Ferritin

PubMed Central

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah; Dicken, Quinten; Thevuthasan, S. Theva; Browning, Nigel D.; Evans, James E.

2016-01-01

Here we report the atomic-scale analysis of biological interfaces within the ferritin protein using atom probe tomography that is facilitated by an advanced specimen preparation approach. Embedding ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualise atomic distributions and distinguish the inorganic-organic interface of the ferrihydrite mineral core and protein shell, as well as the organic-organic interface between the ferritin protein shell and embedding resin. In addition, we definitively show the atomic-scale distribution of phosphorus as being at the surface of the ferrihydrite mineral with the distribution of sodium mapped within the protein shell environment with an enhanced distribution at the mineral/protein interface. The sample preparation method is robust and can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment. PMID:26924804

Applications of Nanoparticle-Containing Plasmas for High-Order Harmonic Generation of Laser Radiation

NASA Astrophysics Data System (ADS)

Ganeev, Rashid A.

The use of nanoparticles for efficient conversion of the wavelength of ultrashort laser toward the deep UV spectral range through harmonic generation is an attractive application of cluster-containing plasmas. Note that earlier observations of HHG in nanoparticles were limited by using the exotic gas clusters formed during fast cooling of atomic flow from the gas jets 1-4. One can assume the difficulties in definition of the structure of such clusters and the ratio between nanoparticles and atoms/ions in the gas flow. The characterization of gas phase cluster production was currently improved using the sophisticated techniques (e.g., a control of nanoparticle mass and spatial distribution, see the review 5). In the meantime, the plasma nanoparticle HHG has demonstrated some advantages over gas cluster HHG 6. The application of commercially available nanopowders allowed for precisely defining the sizes and structure of these clusters in the plume. The laser ablation technique made possible the predictable manipulation of plasma characteristics, which led to the creation of laser plumes containing mainly nanoparticles with known spatial structure. The latter allows the application of such plumes in nonlinear optics, X-ray emission of clusters, deposition of nanoparticles with fixed parameters on the substrates for semiconductor industry, production of nanostructured and nanocomposite films, etc.

Measurement of ozone production scaling in a helium plasma jet with oxygen admixture

NASA Astrophysics Data System (ADS)

Sands, Brian; Ganguly, Biswa

2012-10-01

Capillary dielectric barrier plasma jet devices that generate confined streamer-like discharges along a rare gas flow can produce significant quantities of reactive oxygen species with average input powers ranging from 100 mW to >1 W. We have measured spatially-resolved ozone production in a He plasma jet with O2 admixture concentrations up to 5% using absorption spectroscopy of the O3 Hartley band system. A 20-ns risetime, 10-13 kV positive unipolar voltage pulse train was used to power the discharge, with pulse repetition rates varied from 1-20 kHz. The discharge was operated in a transient glow mode to scale the input power by adjusting the gap width between the anode and downstream cathodic plane. Peak ozone number densities in the range of 10^16 - 10^17 cm-3 were measured. At a given voltage, the density of ozone increased monotonically up to 3% O2 admixture (6 mm gap) as the peak discharge current decreased by an order of magnitude. Ozone production increased with distance from the capillary, consistent with observations by other groups. Atomic oxygen production inferred from O-atom 777 nm emission intensity did not scale with ozone as the input power was increased. The spatial distribution of ozone and scaling with input power will be presented.

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni 0.5Co 0.5, Ni 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhao, Shijun; Stocks, George Malcolm; Zhang, Yanwen

2016-08-03

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. In this study, using ab initio calculations based on density functional theory and special quasirandom structure, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni 0.5Co 0.5, Nimore » 0.5Fe 0.5, Ni 0.8Fe 0.2 and Ni 0.8Cr 0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atomic size in the structure, which further determines the elemental diffusion properties. In conclusion, different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.« less

Studies for the Loss of Atomic and Molecular Species from IO

NASA Technical Reports Server (NTRS)

Combi, Michael R.

1999-01-01

The general objective of this project has been to advance our theoretical understanding of lo's atmosphere and how various atomic and molecular species are lost from this atmosphere and are distributed in the circumplanetary environment of Jupiter. This grant has provided support for the activities of Dr. Michael Combi at the University of Michigan to serve as a small part in collaboration with a larger project awarded to Atmospheric & Environmental Research, Inc., with primary principal investigator Dr. William H. Smyth. Dr. Combi is the Principal Investigator and Project Manager for the Michigan grant NAG5-6187. This Michigan grant has provided for a continuation of a collaboration between Drs. Smyth and Combi in related efforts beginning in 1981, and with the object to develop and apply sophisticated theoretical models to interpret and to relate a number of new and exciting observations for the atmospheric gases of the satellite. The ability to interpret and then to relate through the theoretical fabric a number of these otherwise independent observations are a central strength of this program. This comprehensive approach provides a collective power, extracting more from the sum of the parts and seeing beyond various limitations that are inherent in any one observation. Although the approach is designed to unify, the program is divided into well-defined studies for the likely dominant atmospheric gases involving species of the SO2 family (SO2, SO, O2, S and O) and for the trace atmospheric gas atomic sodium and a likely escaping molecular ion NaX(+) (where Na(X) is the atmospheric molecule and X represents one or more atoms).Attachments: IO's sodium corona and spatially cloud: a consistent flux speed distribution. and Io's plasma environment during the Galileo flyby: global three-dimensional MHD modeling with adaptive mesh refinement.

Defect energetics of concentrated solid-solution alloys from ab initio calculations: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2 and Ni0.8Cr0.2.

PubMed

Zhao, Shijun; Stocks, G Malcolm; Zhang, Yanwen

2016-09-14

It has been shown that concentrated solid solution alloys possess unusual electronic, magnetic, transport, mechanical and radiation-resistant properties that are directly related to underlying chemical complexity. Because every atom experiences a different local atomic environment, the formation and migration energies of vacancies and interstitials in these alloys exhibit a distribution, rather than a single value as in a pure metal or dilute alloy. Using ab initio calculations based on density functional theory and special quasirandom structures, we have characterized the distribution of defect formation energy and migration barrier in four Ni-based solid-solution alloys: Ni0.5Co0.5, Ni0.5Fe0.5, Ni0.8Fe0.2, and Ni0.8Cr0.2. As defect formation energies in finite-size models depend sensitively on the elemental chemical potential, we have developed a computationally efficient method for determining it which takes into account the global composition and the local short-range order. In addition we have compared the results of our ab initio calculations to those obtained from available embedded atom method (EAM) potentials. Our results indicate that the defect formation and migration energies are closely related to the specific atoms in the structure, which further determines the elemental diffusion properties. Different EAM potentials yield different features of defect energetics in concentrated alloys, pointing to the need for additional potential development efforts in order to allow spatial and temporal scale-up of defect and simulations, beyond those accessible to ab initio methods.

Tomographic reconstruction of storm time RC ion distribution from ENA images on board multiple spacecraft

NASA Astrophysics Data System (ADS)

Ma, Shu-Ying; Yan, Wei-Nan; Xu, Liang

2015-11-01

A quantitative retrieval of 3-D distribution of energetic ions as energetic neutral atoms (ENA) sources is a challenging task. In this paper the voxel computerized tomography (CT) method is initially applied to reconstruct the 3-D distribution of energetic ions in the magnetospheric ring current (RC) region from ENA emission images on board multiple spacecraft. To weaken the influence of low-altitude emission (LAE) on the reconstruction, the LAE-associated ENA intensities are corrected by invoking the thick-target approximation. To overcome the divergence in iteration due to discordant instrument biases, a differential ENA voxel CT method is developed. The method is proved reliable and advantageous by numerical simulation for the case of constant bias independent of viewing angle. Then this method is implemented with ENA data measured by the Two Wide-angle Imaging Neutral-atom Spectrometers mission which performs stereoscopic ENA imaging. The 3-D spatial distributions and energy spectra of RC ion flux intensity are reconstructed for energies of 4-50 keV during the main phase of a major magnetic storm. The retrieved ion flux distributions seem to correspond to an asymmetric partial RC, located mainly around midnight favoring the postmidnight with L = 3.5-7.0 in the equatorial plane. The RC ion distributions with magnetic local time depend on energy, with major equatorial flux peak for lower energy located east of that for higher energy. In comparison with the ion energy spectra measured by Time History of Events and Macroscale Interactions during Substorms-D satellite flying in the RC region, the retrieved spectrum from remotely sensed ENA images are well matched with the in situ measurements.

Mapping High-Velocity H-alpha and Lyman-alpha Emission from Supernova 1987A

NASA Technical Reports Server (NTRS)

France, Kevin; McCray, Richard; Fransson, Claes; Larsson, Josefin; Frank, Kari A.; Burrows, David N.; Challis, Peter; Kirshner, Robert P.; Chevalier, Roger A.; Garnavich, Peter;

Spatial Dependent Spontaneous Emission of an Atom in a Semi-Infinite Waveguide of Rectangular Cross Section

NASA Astrophysics Data System (ADS)

Song, Hai-Xi; Sun, Xiao-Qi; Lu, Jing; Zhou, Lan

2018-01-01

We study a quantum electrodynamics (QED) system made of a two-level atom and a semi-infinite rectangular waveguide, which behaves as a perfect mirror in one end. The spatial dependence of the atomic spontaneous emission has been included in the coupling strength relevant to the eigenmodes of the waveguide. The role of retardation is studied for the atomic transition frequency far away from the cutoff frequencies. The atom-mirror distance introduces different phases and retardation times into the dynamics of the atom interacting resonantly with the corresponding transverse modes. It is found that the upper state population decreases from its initial as long as the atom-mirror distance does not vanish, and is lowered and lowered when more and more transverse modes are resonant with the atom. The atomic spontaneous emission can be either suppressed or enhanced by adjusting the atomic location for short retardation time. There are partial revivals and collapses due to the photon reabsorbed and re-emitted by the atom for long retardation time. Supported by National Natural Science Foundation of China under Grant Nos. 11374095, 11422540, 11434011, and 11575058, National Fundamental Research Program of China (the 973 Program) under Grant No. 2012CB922103, and Hunan Provincial Natural Science Foundation of China under Grant No. 11JJ7001

δ-Doping of oxygen vacancies dictated by thermodynamics in epitaxial SrTiO 3 films

DOE PAGES

Li, Fengmiao; Yang, Fang; Liang, Yan; ...

2017-06-01

Homoepitaxial SrTiO 3(110) film is grown by molecular beam epitaxy in ultra-high vacuum with oxygen diffusing from substrate as the only oxidant. The resulted oxygen vacancies (V Os) are found to be spatially confined within few subsurface layers only, forming a quasi-two-dimensional doped region with a tunable high concentration. Such a δ-function distribution of V Os is essentially determined by the thermodynamics associated with the surface reconstruction, and facilitated by the relatively high growth temperature. Here, our results demonstrate that it is feasible to tune V Os distribution at the atomic scale by controlling the lattice structure of oxide surfaces.more » Transition metal oxide interfaces have exhibited a variety of novel phenomena, including the high-mobility two-dimensional electron gas, superconductivity and unusual magnetism. While these phenomena are inherently related to the artificially designed architecture, oxygen vacancies (V Os) are recognized to be particularly important in determining the exotic behaviors of the oxides systems. As electron donors in oxides, V Os were observed to be one of the major factors for the high carrier density at the LaAlO 3/SrTiO 3 interface. V Os induce ferromagnetism in the epitaxial LaCoO 3 films via the ordering of excess electrons in Co 3d orbit. It was also suggested that the existence of V Os plays an important role in the formation of undesirable insulating phase in ultrathin films of many metallic oxide materials, referred to as the “dead layer” behavior. How V Os are involved in such complex phenomena is still unclear. One essential issue toward the design of emergent properties of oxide films is how to characterize and control V Os at the atomic scale. Recently, quantitative measurements of V O concentration have been realized with high spatial resolution benefited by the development of the state-of-the-art aberration-corrected scanning transmission microscope (STEM) and related spectroscopy techniques. However, tuning the V O density precisely by growth control is still extremely challenging. Different oxidants, i.e., molecular O 2, O 3 and atomic O, have been used with different feeding pressure during the growth. This approach is limited by thermodynamics of the material since the pressure of oxidant has to coordinate with temperature and other parameters in order to ensure the formation of the desired phase. In many cases the optimal condition for oxygen stoichiometry cannot be reached, and residual V Os are inevitably formed. It has been reported that V Os even form inhomogeneous clusters in SrTiO 3 (STO) films. Post annealing is another thermodynamic approach and seems to be effective to reduce the V O density. However, it does not allow the precise control of V Os distribution at the atomic scale either. In the current work, to study the control of V Os at the atomic scale, we grow SrTiO 3 homoepitaxial films along the polar [110] direction. Atomically well-defined (4 × 1) reconstruction is maintained on the surface all through the growth [see Fig. 1 (a) and (b)], which compensates the polarity. More importantly, the energy configuration associated with the surface reconstruction results in the spatial confinement of V Os within only few subsurface layers of the film, while their concentration remains extremely low on the topmost surface and in the bulk of STO substrate. In conclusion, we show that such a quasi-two-dimensional (2D) V O-doped layer, mimicking the δ-doping case in conventional semiconductors, can be precisely controlled.« less

δ-Doping of oxygen vacancies dictated by thermodynamics in epitaxial SrTiO 3 films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Fengmiao; Yang, Fang; Liang, Yan

Homoepitaxial SrTiO 3(110) film is grown by molecular beam epitaxy in ultra-high vacuum with oxygen diffusing from substrate as the only oxidant. The resulted oxygen vacancies (V Os) are found to be spatially confined within few subsurface layers only, forming a quasi-two-dimensional doped region with a tunable high concentration. Such a δ-function distribution of V Os is essentially determined by the thermodynamics associated with the surface reconstruction, and facilitated by the relatively high growth temperature. Here, our results demonstrate that it is feasible to tune V Os distribution at the atomic scale by controlling the lattice structure of oxide surfaces.more » Transition metal oxide interfaces have exhibited a variety of novel phenomena, including the high-mobility two-dimensional electron gas, superconductivity and unusual magnetism. While these phenomena are inherently related to the artificially designed architecture, oxygen vacancies (V Os) are recognized to be particularly important in determining the exotic behaviors of the oxides systems. As electron donors in oxides, V Os were observed to be one of the major factors for the high carrier density at the LaAlO 3/SrTiO 3 interface. V Os induce ferromagnetism in the epitaxial LaCoO 3 films via the ordering of excess electrons in Co 3d orbit. It was also suggested that the existence of V Os plays an important role in the formation of undesirable insulating phase in ultrathin films of many metallic oxide materials, referred to as the “dead layer” behavior. How V Os are involved in such complex phenomena is still unclear. One essential issue toward the design of emergent properties of oxide films is how to characterize and control V Os at the atomic scale. Recently, quantitative measurements of V O concentration have been realized with high spatial resolution benefited by the development of the state-of-the-art aberration-corrected scanning transmission microscope (STEM) and related spectroscopy techniques. However, tuning the V O density precisely by growth control is still extremely challenging. Different oxidants, i.e., molecular O 2, O 3 and atomic O, have been used with different feeding pressure during the growth. This approach is limited by thermodynamics of the material since the pressure of oxidant has to coordinate with temperature and other parameters in order to ensure the formation of the desired phase. In many cases the optimal condition for oxygen stoichiometry cannot be reached, and residual V Os are inevitably formed. It has been reported that V Os even form inhomogeneous clusters in SrTiO 3 (STO) films. Post annealing is another thermodynamic approach and seems to be effective to reduce the V O density. However, it does not allow the precise control of V Os distribution at the atomic scale either. In the current work, to study the control of V Os at the atomic scale, we grow SrTiO 3 homoepitaxial films along the polar [110] direction. Atomically well-defined (4 × 1) reconstruction is maintained on the surface all through the growth [see Fig. 1 (a) and (b)], which compensates the polarity. More importantly, the energy configuration associated with the surface reconstruction results in the spatial confinement of V Os within only few subsurface layers of the film, while their concentration remains extremely low on the topmost surface and in the bulk of STO substrate. In conclusion, we show that such a quasi-two-dimensional (2D) V O-doped layer, mimicking the δ-doping case in conventional semiconductors, can be precisely controlled.« less

Short- and medium-chain chlorinated paraffins in sediments from the middle reaches of the Yangtze River: Spatial distributions, source apportionment and risk assessment.

PubMed

Qiao, Lin; Gao, Lirong; Xia, Dan; Huang, Huiting; Zheng, Minghui

2017-01-01

Chlorinated paraffins (CPs) are easily adsorbed into sediments where they pose potential risks to the ecosystem and human health. Few studies have investigated short- and medium-chain CPs (SCCPs and MCCPs) in sediments. The aim of the present study was to comprehensively investigate contamination levels, spatial distributions, sources and risks posed by CPs in sediments from the middle reaches of the Yangtze River. The sediment samples were analyzed by two-dimensional gas chromatography coupled with time-of-flight mass spectrometry (GC×GC-TOFMS). The concentrations of SCCPs and MCCPs ranged from 4.19 to 41.6ng/g dry weight (dw) and not detected to 14.6ng/g dw, respectively. No significant correlation was found between the total organic carbon contents and CP concentrations (P>0.05). The spatial distributions showed that CP contamination levels in the sediments were related to local human activities. The dominant congener groups were C 10-11 Cl 6-7 for SCCPs, and C 14 Cl 7-8 for MCCPs. Correspondence analysis revealed that likely sources of SCCPs were the production and use of CP-42 and CP-52. Principal component analysis indicated that SCCPs and MCCPs in the sediments may come from different sources. Moreover, CPs with nine carbon atoms were quantitated for the first time in sediment samples, and the results indicated they should not be neglected in future analyses. Risk assessments indicated that CPs in the sediments did not pose a great ecological risk currently. Copyright © 2016 Elsevier B.V. All rights reserved.

Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection.

PubMed

Toofanny, Rudesh D; Simms, Andrew M; Beck, David A C; Daggett, Valerie

2011-08-10

Molecular dynamics (MD) simulations offer the ability to observe the dynamics and interactions of both whole macromolecules and individual atoms as a function of time. Taken in context with experimental data, atomic interactions from simulation provide insight into the mechanics of protein folding, dynamics, and function. The calculation of atomic interactions or contacts from an MD trajectory is computationally demanding and the work required grows exponentially with the size of the simulation system. We describe the implementation of a spatial indexing algorithm in our multi-terabyte MD simulation database that significantly reduces the run-time required for discovery of contacts. The approach is applied to the Dynameomics project data. Spatial indexing, also known as spatial hashing, is a method that divides the simulation space into regular sized bins and attributes an index to each bin. Since, the calculation of contacts is widely employed in the simulation field, we also use this as the basis for testing compression of data tables. We investigate the effects of compression of the trajectory coordinate tables with different options of data and index compression within MS SQL SERVER 2008. Our implementation of spatial indexing speeds up the calculation of contacts over a 1 nanosecond (ns) simulation window by between 14% and 90% (i.e., 1.2 and 10.3 times faster). For a 'full' simulation trajectory (51 ns) spatial indexing reduces the calculation run-time between 31 and 81% (between 1.4 and 5.3 times faster). Compression resulted in reduced table sizes but resulted in no significant difference in the total execution time for neighbour discovery. The greatest compression (~36%) was achieved using page level compression on both the data and indexes. The spatial indexing scheme significantly decreases the time taken to calculate atomic contacts and could be applied to other multidimensional neighbor discovery problems. The speed up enables on-the-fly calculation and visualization of contacts and rapid cross simulation analysis for knowledge discovery. Using page compression for the atomic coordinate tables and indexes saves ~36% of disk space without any significant decrease in calculation time and should be considered for other non-transactional databases in MS SQL SERVER 2008.

Implementation of 3D spatial indexing and compression in a large-scale molecular dynamics simulation database for rapid atomic contact detection

PubMed Central

2011-01-01

Background Molecular dynamics (MD) simulations offer the ability to observe the dynamics and interactions of both whole macromolecules and individual atoms as a function of time. Taken in context with experimental data, atomic interactions from simulation provide insight into the mechanics of protein folding, dynamics, and function. The calculation of atomic interactions or contacts from an MD trajectory is computationally demanding and the work required grows exponentially with the size of the simulation system. We describe the implementation of a spatial indexing algorithm in our multi-terabyte MD simulation database that significantly reduces the run-time required for discovery of contacts. The approach is applied to the Dynameomics project data. Spatial indexing, also known as spatial hashing, is a method that divides the simulation space into regular sized bins and attributes an index to each bin. Since, the calculation of contacts is widely employed in the simulation field, we also use this as the basis for testing compression of data tables. We investigate the effects of compression of the trajectory coordinate tables with different options of data and index compression within MS SQL SERVER 2008. Results Our implementation of spatial indexing speeds up the calculation of contacts over a 1 nanosecond (ns) simulation window by between 14% and 90% (i.e., 1.2 and 10.3 times faster). For a 'full' simulation trajectory (51 ns) spatial indexing reduces the calculation run-time between 31 and 81% (between 1.4 and 5.3 times faster). Compression resulted in reduced table sizes but resulted in no significant difference in the total execution time for neighbour discovery. The greatest compression (~36%) was achieved using page level compression on both the data and indexes. Conclusions The spatial indexing scheme significantly decreases the time taken to calculate atomic contacts and could be applied to other multidimensional neighbor discovery problems. The speed up enables on-the-fly calculation and visualization of contacts and rapid cross simulation analysis for knowledge discovery. Using page compression for the atomic coordinate tables and indexes saves ~36% of disk space without any significant decrease in calculation time and should be considered for other non-transactional databases in MS SQL SERVER 2008. PMID:21831299

Nightglow on Venus: Venus Express NO(UV), O2(IR), and OH(IR) Observations and Implications for Upper Atmosphere Dynamics

NASA Astrophysics Data System (ADS)

Gerard, Jean-Claude

Ground-based and space observations have shown the presence of several emissions in the Venus nightglow. The gamma and delta bands of nitric oxide between 190 and 270 nm are ubiquitous on the Venus night side. They are excited by radiative recombination of N and O atoms created by photodissociation of CO2 and N2 molecules on the dayside of the planet. This emission has been extensively observed with the SPICAV spectrograph on board Venus Express. It shows a maximum limb brightness near 115 km. Similarly, the O2 (1 ∆) emission at 1.27 µm is excited by three-body recombination of O atoms which produces an airglow layer near 96 km, as was demonstrated by several studies based on observations with the VIRTIS instrument on Venus Express. The two emissions are variable in space and time and show little spatial correlation. The N and O atoms are transported to the night side by the subsolar to antisolar global circulation in the thermosphere generated by the thermal contrast between the two sides of Venus. A zonal circulation is also observed in the mesosphere and a region exists where both transport regimes influence the distribution of O and N atoms and the resulting airglow emissions. The statistical location of the NO and O2 bright spots is not identical, which suggests that the dynamical regime is different at the altitudes of the two layers. Finally, the statistical characteristics of the OH Meinel bands in the near infrared will be presented. This emission shows similarities with O2 (1 ∆), presumably because atomic oxygen is a common precursor to both emissions. The growing information on the brightness, vertical and horizontal distribution of these emissions now provides constraints on the dynamics prevailing in the Venus upper atmosphere.

Molecular dynamics simulation of geminal dicationic ionic liquids [Cn(mim)2][NTf2]2 - structural and dynamical properties.

PubMed

Moosavi, Majid; Khashei, Fatemeh; Sedghamiz, Elaheh

2017-12-20

In this work, the structural and dynamical properties of two imidazolium-based geminal dicationic ionic liquids (GDILs), i.e. [C n (mim) 2 ][NTf 2 ] 2 with n = 3 and 5, have been studied to obtain a fundamental understanding of the molecular basis of the macroscopic and microscopic properties of the bulk liquid phase. To achieve this purpose, molecular dynamics (MD) simulation, density functional theory (DFT) and atoms in molecule (AIM) methods were used. Interaction energies, charge transfers and hydrogen bonds between the cation and anions of each studied GDIL were investigated by DFT calculations and also AIM. The mean square displacement (MSD), self-diffusion coefficient, and transference number of the cation and anions, and also the density, viscosity and electrical conductivity of the studied GDILs, were computed at 333.15 K and at 1 atm. The simulated values were in good agreement with the experimental data. The effect of linkage alkyl chain length on the thermodynamic, transport and structural properties of these GDILs has been investigated. The structural features of these GDILs were characterized by calculating the partial site-site radial distribution functions (RDFs) and spatial distribution functions (SDFs). The heterogeneity order parameter (HOP) has been used to describe the spatial structures of these GDILs and the distribution of the angles formed between two cation heads and the middle carbon atom of the linkage alkyl chain was analyzed in these ILs. To investigate the temporal heterogeneity of the studied GDILs, the deviation of the self-part of the van Hove correlation function, G s (r[combining right harpoon above],t), from the Gaussian distribution of particle displacement and also the second-order non-Gaussian parameter, α 2 (t), were used. Since, the transport and interfacial properties and ionic characteristics of these GDILs were studied experimentally in our previous studies as a function of linkage chain length and temperature, in this work, we try to give a better perspective of the structure and dynamics of these systems at a molecular level.

Dopant distributions in n-MOSFET structure observed by atom probe tomography.

PubMed

Inoue, K; Yano, F; Nishida, A; Takamizawa, H; Tsunomura, T; Nagai, Y; Hasegawa, M

2009-11-01

The dopant distributions in an n-type metal-oxide-semiconductor field effect transistor (MOSFET) structure were analyzed by atom probe tomography. The dopant distributions of As, P, and B atoms in a MOSFET structure (gate, gate oxide, channel, source/drain extension, and halo) were obtained. P atoms were segregated at the interface between the poly-Si gate and the gate oxide, and on the grain boundaries of the poly-Si gate, which had an elongated grain structure along the gate height direction. The concentration of B atoms was enriched near the edge of the source/drain extension where the As atoms were implanted.

Study of spatial resolution of coordinate detectors based on Gas Electron Multipliers

NASA Astrophysics Data System (ADS)

Kudryavtsev, V. N.; Maltsev, T. V.; Shekhtman, L. I.

2017-02-01

Spatial resolution of GEM-based tracking detectors is determined in the simulation and measured in the experiments. The simulation includes GEANT4 implemented transport of high energy electrons with careful accounting of atomic relaxation processes including emission of fluorescent photons and Auger electrons and custom post-processing with accounting of diffusion, gas amplification fluctuations, distribution of signals on readout electrodes, electronics noise and particular algorithm of final coordinate calculation (center of gravity). The simulation demonstrates that the minimum of spatial resolution of about 10 μm can be achieved with a gas mixture of Ar -CO2 (75-25 %) at a strips pitch from 250 μm to 300 μm. At a larger pitch the resolution quickly degrades reaching 80-100 μm at a pitch of 460-500 μm. Spatial resolution of low-material triple-GEM detectors for the DEUTERON facility at the VEPP-3 storage ring is measured at the extracted beam facility of the VEPP-4 M collider. One-coordinate resolution of the DEUTERON detector is measured with electron beam of 500 MeV, 1 GeV and 3.5 GeV energies. The determined value of spatial resolution varies in the range from approximately 35 μm to 50 μm for orthogonal tracks in the experiments.

Cross-Scale Molecular Analysis of Chemical Heterogeneity in Shale Rocks

DOE PAGES

Hao, Zhao; Bechtel, Hans A.; Kneafsey, Timothy; ...

2018-02-07

The organic and mineralogical heterogeneity in shale at micrometer and nanometer spatial scales contributes to the quality of gas reserves, gas flow mechanisms and gas production. Here, we demonstrate two molecular imaging approaches based on infrared spectroscopy to obtain mineral and kerogen information at these mesoscale spatial resolutions in large-sized shale rock samples. The first method is a modified microscopic attenuated total reflectance measurement that utilizes a large germanium hemisphere combined with a focal plane array detector to rapidly capture chemical images of shale rock surfaces spanning hundreds of micrometers with micrometer spatial resolution. The second method, synchrotron infrared nano-spectroscopy,more » utilizes a metallic atomic force microscope tip to obtain chemical images of micrometer dimensions but with nanometer spatial resolution. This chemically "deconvoluted" imaging at the nano-pore scale is then used to build a machine learning model to generate a molecular distribution map across scales with a spatial span of 1000 times, which enables high-throughput geochemical characterization in greater details across the nano-pore and micro-grain scales and allows us to identify co-localization of mineral phases with chemically distinct organics and even with gas phase sorbents. Finally, this characterization is fundamental to understand mineral and organic compositions affecting the behavior of shales.« less

Cross-Scale Molecular Analysis of Chemical Heterogeneity in Shale Rocks

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hao, Zhao; Bechtel, Hans A.; Kneafsey, Timothy

The organic and mineralogical heterogeneity in shale at micrometer and nanometer spatial scales contributes to the quality of gas reserves, gas flow mechanisms and gas production. Here, we demonstrate two molecular imaging approaches based on infrared spectroscopy to obtain mineral and kerogen information at these mesoscale spatial resolutions in large-sized shale rock samples. The first method is a modified microscopic attenuated total reflectance measurement that utilizes a large germanium hemisphere combined with a focal plane array detector to rapidly capture chemical images of shale rock surfaces spanning hundreds of micrometers with micrometer spatial resolution. The second method, synchrotron infrared nano-spectroscopy,more » utilizes a metallic atomic force microscope tip to obtain chemical images of micrometer dimensions but with nanometer spatial resolution. This chemically "deconvoluted" imaging at the nano-pore scale is then used to build a machine learning model to generate a molecular distribution map across scales with a spatial span of 1000 times, which enables high-throughput geochemical characterization in greater details across the nano-pore and micro-grain scales and allows us to identify co-localization of mineral phases with chemically distinct organics and even with gas phase sorbents. Finally, this characterization is fundamental to understand mineral and organic compositions affecting the behavior of shales.« less

Random field assessment of nanoscopic inhomogeneity of bone.

PubMed

Dong, X Neil; Luo, Qing; Sparkman, Daniel M; Millwater, Harry R; Wang, Xiaodu

2010-12-01

Bone quality is significantly correlated with the inhomogeneous distribution of material and ultrastructural properties (e.g., modulus and mineralization) of the tissue. Current techniques for quantifying inhomogeneity consist of descriptive statistics such as mean, standard deviation and coefficient of variation. However, these parameters do not describe the spatial variations of bone properties. The objective of this study was to develop a novel statistical method to characterize and quantitatively describe the spatial variation of bone properties at ultrastructural levels. To do so, a random field defined by an exponential covariance function was used to represent the spatial uncertainty of elastic modulus by delineating the correlation of the modulus at different locations in bone lamellae. The correlation length, a characteristic parameter of the covariance function, was employed to estimate the fluctuation of the elastic modulus in the random field. Using this approach, two distribution maps of the elastic modulus within bone lamellae were generated using simulation and compared with those obtained experimentally by a combination of atomic force microscopy and nanoindentation techniques. The simulation-generated maps of elastic modulus were in close agreement with the experimental ones, thus validating the random field approach in defining the inhomogeneity of elastic modulus in lamellae of bone. Indeed, generation of such random fields will facilitate multi-scale modeling of bone in more pragmatic details. Copyright © 2010 Elsevier Inc. All rights reserved.

Systematic spatial and stoichiometric screening towards understanding the surface of ultrasmall oxygenated silicon nanocrystal

NASA Astrophysics Data System (ADS)

Niaz, Shanawer; Zdetsis, Aristides D.; Koukaras, Emmanuel N.; Gülseren, Oǧuz; Sadiq, Imran

2016-11-01

In most of the realistic ab initio and model calculations which have appeared on the emission of light from silicon nanocrystals, the role of surface oxygen has been usually ignored, underestimated or completely ruled out. We investigate theoretically, by density functional theory (DFT/B3LYP) possible modes of oxygen bonding in hydrogen terminated silicon quantum dots using as a representative case of the Si29 nanocrystal. We have considered Bridge-bonded oxygen (BBO), Doubly-bonded oxygen (DBO), hydroxyl (OH) and Mix of these oxidizing agents. Due to stoichiometry, all comparisons performed are unbiased with respect to composition whereas spatial distribution of oxygen species pointed out drastic change in electronic and cohesive characteristics of nanocrytals. From an overall perspective of this study, it is shown that bridge bonded oxygenated Si nanocrystals accompanied by Mix have higher binding energies and large electronic gap compared to nanocrystals with doubly bonded oxygen atoms. In addition, it is observed that the presence of OH along with BBO, DBO and mixed configurations further lowers electronic gaps and binding energies but trends in same fashion. It is also demonstrated that within same composition, oxidizing constituent, along with their spatial distribution substantially alters binding energy, highest occupied molecular orbital (HOMO) and lowest unoccupied molecular orbital (LUMO) gap (up to 1.48 eV) and localization of frontier orbitals.

Atomic scale imaging of magnetic circular dichroism by achromatic electron microscopy.

PubMed

Wang, Zechao; Tavabi, Amir H; Jin, Lei; Rusz, Ján; Tyutyunnikov, Dmitry; Jiang, Hanbo; Moritomo, Yutaka; Mayer, Joachim; Dunin-Borkowski, Rafal E; Yu, Rong; Zhu, Jing; Zhong, Xiaoyan

2018-03-01

In order to obtain a fundamental understanding of the interplay between charge, spin, orbital and lattice degrees of freedom in magnetic materials and to predict and control their physical properties 1-3 , experimental techniques are required that are capable of accessing local magnetic information with atomic-scale spatial resolution. Here, we show that a combination of electron energy-loss magnetic chiral dichroism 4 and chromatic-aberration-corrected transmission electron microscopy, which reduces the focal spread of inelastically scattered electrons by orders of magnitude when compared with the use of spherical aberration correction alone, can achieve atomic-scale imaging of magnetic circular dichroism and provide element-selective orbital and spin magnetic moments atomic plane by atomic plane. This unique capability, which we demonstrate for Sr 2 FeMoO 6 , opens the door to local atomic-level studies of spin configurations in a multitude of materials that exhibit different types of magnetic coupling, thereby contributing to a detailed understanding of the physical origins of magnetic properties of materials at the highest spatial resolution.

Distribution of Al atoms in the clathrate-I phase Ba8AlxSi46-x at x = 6.9.

PubMed

Bobnar, Matej; Böhme, Bodo; Wedel, Michael; Burkhardt, Ulrich; Ormeci, Alim; Prots, Yurii; Drathen, Christina; Liang, Ying; Nguyen, Hong Duong; Baitinger, Michael; Grin, Yuri

2015-07-28

The clathrate-I phase Ba8AlxSi46-x has been structurally characterized at the composition x = 6.9 (space group Pm3[combining macron]n, no. 223, a = 10.4645(2) Å). A crystal structure model comprising the distribution of aluminium and silicon atoms in the clathrate framework was established: 5.7 Al atoms and 0.3 Si atoms occupy the crystallographic site 6c, while 1.2 Al atoms and 22.8 Si atoms occupy site 24k. The atomic distribution was established based on a combination of (27)Al and (29)Si NMR experiments, X-ray single-crystal diffraction and wavelength-dispersive X-ray spectroscopy.

Application of two-component phase Doppler interferometry to the measurement of particle size, mass flux, and velocities in two-phase flows

NASA Technical Reports Server (NTRS)

Mcdonell, V. G.; Samuelsen, G. S.

1989-01-01

Two-component phase Doppler interferometry is described, along with its application for the spatially-resolved measurements of particle size, velocity, and mass flux as well as continuous phase velocity. This technique measures single particle events at a point in the flow; droplet size is deduced from the spatial phase shift of the Doppler signal. Particle size influence and discrimination of continuous and discrete phases are among issues covered. Applications are presented for four cases: an example of the discrimination of two sizes of glass beads in a jet flow; a demonstration of the discrimination of phases in a spray field; an assessment of atomizer symmetry with respect to fuel distribution; and a characterization of a droplet field in a reacting spray. It is noted that the above technique is especially powerful in delineating droplet interactions in the swirling, complex flows typical of realistic systems.

Mesospheric nightglow spectral survey taken by the ISO spectral spatial imager on ATLAS 1

NASA Technical Reports Server (NTRS)

Owens, J. K.; Torr, D. G.; Torr, M. R.; Chang, T.; Fennelly, J. A.; Richards, P. G.; Morgan, M. F.; Baldridge, T. W.; Fellows, C. W.; Dougani, H.

1993-01-01

This paper reports the first comprehensive spectral survey of the mesospheric airglow between 260 and 832 nm taken by the Imaging Spectrometric Observatory on the ATLAS 1 mission. We select data taken in the spectral window between 275 and 300 nm to determine the variation with altitude of the Herzberg I bands originating from the vibrational levels v-prime = 3 to 8. These data provide the first spatially resolved spectral measurements of the system. The data are used to demonstrate that to within an uncertainty of +/- 10 percent, the vibrational distribution remains invariant with altitude. The deficit reported previously for the v-prime = 5 level is not observed although there is a suggestion of depletion in v-prime = 6. The data could be used to place tight constraints on the vibrational dependence of quenching rate coefficients, and on the abundance of atomic oxygen.

Mesospheric nightglow spectral survey taken by the ISO spectral spatial imager on Atlas 1

NASA Technical Reports Server (NTRS)

Owens, J. K.; Torr, D. G.; Torr, M. R.; Chang, T.; Fennelly, J. A.; Richards, P. G.; Morgan, M. F.; Baldridge, T. W.; Dougani, H.; Swift, W.

1993-01-01

This paper reports the first comprehensive spectral survey of the mesospheric airglow between 260 and 832 nm taken by the Imaging Spectrometric Observatory (ISO) on the ATLAS I mission. We select data taken in the spectral window between 275 and 300 nm to determine the variation with altitude of the Herzberg I bands originating from the vibrational levels v' = 3 to 8. These data provide the first spatially resolved spectral measurements of the system. The data are used to demonstrate that to within an uncertainty of + 10%, the vibrational distribution remains invariant with altitude. The deficit reported previously for the v' = 5 level is not observed although there is a suggestion of depletion in v' = 6. The data could be used to place tight constraints on the vibrational dependence of quenching rate coefficients, and on the abundance of atomic oxygen.

Optical Pattern Formation in Cold Atoms: Explaining the Red-Blue Asymmetry

NASA Astrophysics Data System (ADS)

Schmittberger, Bonnie; Gauthier, Daniel

2013-05-01

The study of pattern formation in atomic systems has provided new insight into fundamental many-body physics and low-light-level nonlinear optics. Pattern formation in cold atoms in particular is of great interest in condensed matter physics and quantum information science because atoms undergo self-organization at ultralow input powers. We recently reported the first observation of pattern formation in cold atoms but found that our results were not accurately described by any existing theoretical model of pattern formation. Previous models describing pattern formation in cold atoms predict that pattern formation should occur using both red and blue-detuned pump beams, favoring a lower threshold for blue detunings. This disagrees with our recent work, in which we only observed pattern formation with red-detuned pump beams. Previous models also assume a two-level atom, which cannot account for the cooling processes that arise when beams counterpropagate through a cold atomic vapor. We describe a new model for pattern formation that accounts for Sisyphus cooling in multi-level atoms, which gives rise to a new nonlinearity via spatial organization of the atoms. This spatial organization causes a sharp red-blue detuning asymmetry, which agrees well with our experimental observations. We gratefully acknowledge the financial support of the NSF through Grant #PHY-1206040.

Temporal and spatial distribution of metallic species in the upper atmosphere

NASA Astrophysics Data System (ADS)

Correira, John Thomas

2009-06-01

Every day the Earth is bombarded by approximately 100 tons of meteoric material. Much of this material is completely ablated on atmospheric entry, resulting in a layer of atomic metals in the upper atmosphere between 70 km - 150 km. These neutral atoms are ionized by solar radiation and charge exchange. Metal ions have a long lifetime against recombination loss, allowing them to be redistributed globally by electromagnetic forces, especially when lifted to altitudes >150 km. UV radiances from the Global Ozone Monitoring Experiment (GOME) spectrometer are used to determine long-term dayside variations of the total vertical column density below 795 km of the meteoric metal species Mg and Mg + in the upper atmosphere. A retrieval algorithm developed to determine magnesium column densities was applied to all available data from the years 1996-2001. Long term results show middle latitude dayside Mg + peaks in vertical content during the summer, while neutral Mg demonstrates a much more subtle maximum in summer. Atmospheric metal concentrations do not correlate strongly solar activity. An analysis of spatial variations shows geospatial distributions are patchy, with local regions of increased column density. To study short term variations and the role of meteor showers a time dependent mass flux rate is calculated using published estimates of meteor stream mass densities and activity profiles. An average daily mass flux rate is also calculated and used as a baseline against which shower mass flux rates are compared. These theoretical mass flux rates are then compared with GOME derived metal column densities. There appears to be little correlation between modeled meteor shower mass flux rates and changes in the observed neutral magnesium and Mg + metal column densities.

Visualizing nanoscale 3D compositional fluctuation of lithium in advanced lithium-ion battery cathodes

DOE PAGES

Devaraj, Arun; Gu, Meng; Colby, Robert J.; ...

2015-08-14

The distribution and concentration of lithium in Li-ion battery cathodes at different stages of cycling is a pivotal factor in determining battery performance. Non-uniform distribution of the transition metal cations has been shown to affect cathode performance; however, the Li is notoriously challenging to characterize with typical high-spatial-resolution imaging techniques. Here, for the first time, laser–assisted atom probe tomography is applied to two advanced Li-ion battery oxide cathode materials—layered Li 1.2Ni 0.2Mn 0.6O 2 and spinel LiNi 0.5Mn 1.5O 4—to unambiguously map the three dimensional (3D) distribution of Li at sub-nanometer spatial resolution and correlate it with the distribution ofmore » the transition metal cations (M) and the oxygen. The as-fabricated layered Li 1.2Ni 0.2Mn 0.6O 2 is shown to have Li-rich Li 2MO 3 phase regions and Li-depleted Li(Ni 0.5Mn 0.5)O 2 regions while in the cycled layered Li 1.2Ni 0.2Mn 0.6O 2 an overall loss of Li and presence of Ni rich regions, Mn rich regions and Li rich regions are shown in addition to providing the first direct evidence for Li loss on cycling of layered LNMO cathodes. The spinel LiNi 0.5Mn 1.5O 4 cathode is shown to have a uniform distribution of all cations. These results were additionally validated by correlating with energy dispersive spectroscopy mapping of these nanoparticles in a scanning transmission electron microscope. Thus, we have opened the door for probing the nanoscale compositional fluctuations in crucial Li-ion battery cathode materials at an unprecedented spatial resolution of sub-nanometer scale in 3D which can provide critical information for understanding capacity decay mechanisms in these advanced cathode materials.« less

Forbidden atomic transitions driven by an intensity-modulated laser trap.

PubMed

Moore, Kaitlin R; Anderson, Sarah E; Raithel, Georg

2015-01-20

Spectroscopy is an essential tool in understanding and manipulating quantum systems, such as atoms and molecules. The model describing spectroscopy includes the multipole-field interaction, which leads to established spectroscopic selection rules, and an interaction that is quadratic in the field, which is not often employed. However, spectroscopy using the quadratic (ponderomotive) interaction promises two significant advantages over spectroscopy using the multipole-field interaction: flexible transition rules and vastly improved spatial addressability of the quantum system. Here we demonstrate ponderomotive spectroscopy by using optical-lattice-trapped Rydberg atoms, pulsating the lattice light and driving a microwave atomic transition that would otherwise be forbidden by established spectroscopic selection rules. This ability to measure frequencies of previously inaccessible transitions makes possible improved determinations of atomic characteristics and constants underlying physics. The spatial resolution of ponderomotive spectroscopy is orders of magnitude better than the transition frequency would suggest, promising single-site addressability in dense particle arrays for quantum computing applications.

Scattered electrons in microscopy and microanalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ottensmeyer, F.P.

The use of scattered electrons alone for direct imaging of biological specimens makes it possible to obtain structural information at atomic and near-atomic spatial resolutions of 0.3 to 0.5 nanometer. While this is not as good as the resolution possible with x-ray crystallography, such an approach provides structural information rapidly on individual macromolecules that have not been, and possibly cannot be, crystallized. Analysis of the spectrum of energies of scattered electrons and imaging of the latter with characteristic energy bands within the spectrum produces a powerful new technique of atomic microanalysis. This technique, which has a spatial resolution of aboutmore » 0.5 nanometer and a minimum detection sensitivity of about 50 atoms of phosphorus, is especially useful for light atom analysis and appears to have applications in molecular biology, cell biology, histology, pathology, botany, and many other fields.« less

Scattered electrons in microscopy and microanalysis

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ottensmeyer, F.P.

The use of scattered electrons alone for direct imaging of biological specimens makes it possible to obtain structural information at atomic and near-atomic spatial resolutions of 0.3 to 0.5 nanometer. While this is not as good as the resolution possible with x-ray crystallography, such an approach provides structural information rapidly on individual macromolecules that have not been, and possibly cannot be, crystallized. Analysis of the spectrum of energies of scattered electrons and imaging of the latter with characteristic energy bands within the spectrum produce a powerful new technique of atomic microanalysis. This technique, which has a spatial resolution of aboutmore » 0.5 nanometer and a minimum detection sensitivity of about 50 atoms of phosphorus, is especially useful for light atom analysis and appears to have applications in molecular biology, cell biology, histology, pathology, botany, and many other fields.« less

Atomic-Scale Nuclear Spin Imaging Using Quantum-Assisted Sensors in Diamond

NASA Astrophysics Data System (ADS)

Ajoy, A.; Bissbort, U.; Lukin, M. D.; Walsworth, R. L.; Cappellaro, P.

2015-01-01

Nuclear spin imaging at the atomic level is essential for the understanding of fundamental biological phenomena and for applications such as drug discovery. The advent of novel nanoscale sensors promises to achieve the long-standing goal of single-protein, high spatial-resolution structure determination under ambient conditions. In particular, quantum sensors based on the spin-dependent photoluminescence of nitrogen-vacancy (NV) centers in diamond have recently been used to detect nanoscale ensembles of external nuclear spins. While NV sensitivity is approaching single-spin levels, extracting relevant information from a very complex structure is a further challenge since it requires not only the ability to sense the magnetic field of an isolated nuclear spin but also to achieve atomic-scale spatial resolution. Here, we propose a method that, by exploiting the coupling of the NV center to an intrinsic quantum memory associated with the nitrogen nuclear spin, can reach a tenfold improvement in spatial resolution, down to atomic scales. The spatial resolution enhancement is achieved through coherent control of the sensor spin, which creates a dynamic frequency filter selecting only a few nuclear spins at a time. We propose and analyze a protocol that would allow not only sensing individual spins in a complex biomolecule, but also unraveling couplings among them, thus elucidating local characteristics of the molecule structure.

3-D Observation of dopant distribution at NAND flash memory floating gate using Atom probe tomography

NASA Astrophysics Data System (ADS)

Lee, Ji-hyun; Chae, Byeong-Kyu; Kim, Joong-Jeong; Lee, Sun Young; Park, Chan Gyung

2015-01-01

Dopant control becomes more difficult and critical as silicon devices become smaller. We observed the dopant distribution in a thermally annealed polysilicon gate using Transmission Electron Microscopy (TEM) and Atom probe tomography (APT). Phosphorus was doped at the silicon-nitride-diffusion-barrier-layer-covered polycrystalline silicon gate. Carbon also incorporated at the gate for the enhancement of operation uniformity. The impurity distribution was observed using atom probe tomography. The carbon atoms had segregated at grain boundaries and suppressed silicon grain growth. Phosphorus atoms, on the other hand, tended to pile-up at the interface. A 1-nm-thick diffusion barrier effectively blocked P atom out-diffusion. [Figure not available: see fulltext.

Small-angle x-ray scattering in amorphous silicon: A computational study

NASA Astrophysics Data System (ADS)

Paudel, Durga; Atta-Fynn, Raymond; Drabold, David A.; Elliott, Stephen R.; Biswas, Parthapratim

2018-05-01

We present a computational study of small-angle x-ray scattering (SAXS) in amorphous silicon (a -Si) with particular emphasis on the morphology and microstructure of voids. The relationship between the scattering intensity in SAXS and the three-dimensional structure of nanoscale inhomogeneities or voids is addressed by generating large high-quality a -Si networks with 0.1%-0.3% volume concentration of voids, as observed in experiments using SAXS and positron annihilation spectroscopy. A systematic study of the variation of the scattering intensity in the small-angle scattering region with the size, shape, number density, and the spatial distribution of the voids in the networks is presented. Our results suggest that the scattering intensity in the small-angle region is particularly sensitive to the size and the total volume fraction of the voids, but the effect of the geometry or shape of the voids is less pronounced in the intensity profiles. A comparison of the average size of the voids obtained from the simulated values of the intensity, using the Guinier approximation and Kratky plots, with that of the same from the spatial distribution of the atoms in the vicinity of void surfaces is presented.

Calcium in Mercury's Exosphere: Modeling MESSENGER Data

NASA Technical Reports Server (NTRS)

Burger, Matthew H.; Killen, Rosemary M.; McClintock, William E.; Merkel, Aimee; Vervack, Ronald J.; Sarantos, Menelaos; Sprague, Ann L.

2011-01-01

Mercury is surrounded by a surface-bounded exosphere comprised of atomic species including hydrogen, sodium, potassium, calcium, magnesium, and likely oxygen. Because it is collisionless. the exosphere's composition represents a balance of the active source and loss processes. The Mercury Atmospheric and Surface Composition Spectrometer (MASCS) on the MErcury Surface. Space ENvironment. GEochemistry. and Ranging (MESSENGER) spacecraft has made high spatial-resolution observations of sodium, calcium, and magnesium near Mercury's surface and in the extended, anti-sunward direction. The most striking feature of these data has been the substantial differences in the spatial distribution of each species, Our modeling demonstrates that these differences cannot be due to post-ejection dynamics such as differences in photo-ionization rate and radiation pressure. but instead point to differences in the source mechanisms and regions on the surface from which each is ejected. The observations of calcium have revealed a strong dawn/dusk asymmetry. with the abundance over the dawn hemisphere significantly greater than over the dusk. To understand this asymmetry, we use a Monte Carlo model of Mercury's exosphere that we developed to track the motions of exospheric neutrals under the influence of gravity and radiation pressure. Ca atoms can be ejected directly from the surface or produced in a molecular exosphere (e.g., one consisting of CaO). Particles are removed from the system if they stick to the surface or escape from the model region of interest (within 15 Mercury radii). Photoionization reduces the final weighting given to each particle when simulating the Ca radiance. Preliminary results suggest a high temperature ( I-2x 10(exp 4) K) source of atomic Ca concentrated over the dawn hemisphere. The high temperature is consistent with the dissociation of CaO in a near-surface exosphere with scale height <= 100 km, which imparts 2 eV to the freshly produced Ca atom. This source region and energy are consistent with data from the three MESSENGER flybys; whether this holds true for the data obtained in orbit is under investigation.

Improving tritium exposure reconstructions using accelerator mass spectrometry

PubMed Central

Hunt, J. R.; Vogel, J. S.; Knezovich, J. P.

2010-01-01

Direct measurement of tritium atoms by accelerator mass spectrometry (AMS) enables rapid low-activity tritium measurements from milligram-sized samples and permits greater ease of sample collection, faster throughput, and increased spatial and/or temporal resolution. Because existing methodologies for quantifying tritium have some significant limitations, the development of tritium AMS has allowed improvements in reconstructing tritium exposure concentrations from environmental measurements and provides an important additional tool in assessing the temporal and spatial distribution of chronic exposure. Tritium exposure reconstructions using AMS were previously demonstrated for a tree growing on known levels of tritiated water and for trees exposed to atmospheric releases of tritiated water vapor. In these analyses, tritium levels were measured from milligram-sized samples with sample preparation times of a few days. Hundreds of samples were analyzed within a few months of sample collection and resulted in the reconstruction of spatial and temporal exposure from tritium releases. Although the current quantification limit of tritium AMS is not adequate to determine natural environmental variations in tritium concentrations, it is expected to be sufficient for studies assessing possible health effects from chronic environmental tritium exposure. PMID:14735274

Spatially-resolved mapping of history-dependent coupled electrochemical and electronical behaviors of electroresistive NiO

DOE PAGES

Sugiyama, Issei; Kim, Yunseok; Jesse, Stephen; ...

2014-10-22

Bias-induced oxygen ion dynamics underpins a broad spectrum of electroresistive and memristive phenomena in oxide materials. Although widely studied by device-level and local voltage-current spectroscopies, the relationship between electroresistive phenomena, local electrochemical behaviors, and microstructures remains elusive. Here, the interplay between history-dependent electronic transport and electrochemical phenomena in a NiO single crystalline thin film with a number of well-defined defect types is explored on the nanometer scale using an atomic force microscopy-based technique. A variety of electrochemically-active regions were observed and spatially resolved relationship between the electronic and electrochemical phenomena was revealed. The regions with pronounced electroresistive activity were furthermore » correlated with defects identified by scanning transmission electron microscopy. Using fully coupled mechanical-electrochemical modeling, we illustrate that the spatial distribution of strain plays an important role in electrochemical and electroresistive phenomena. In conclusion, these studies illustrate an approach for simultaneous mapping of the electronic and ionic transport on a single defective structure level such as dislocations or interfaces, and pave the way for creating libraries of defect-specific electrochemical responses.« less

Monte Carlo simulation of electrothermal atomization on a desktop personal computer

NASA Astrophysics Data System (ADS)

Histen, Timothy E.; Güell, Oscar A.; Chavez, Iris A.; Holcombea, James A.

1996-07-01

Monte Carlo simulations have been applied to electrothermal atomization (ETA) using a tubular atomizer (e.g. graphite furnace) because of the complexity in the geometry, heating, molecular interactions, etc. The intense computational time needed to accurately model ETA often limited its effective implementation to the use of supercomputers. However, with the advent of more powerful desktop processors, this is no longer the case. A C-based program has been developed and can be used under Windows TM or DOS. With this program, basic parameters such as furnace dimensions, sample placement, furnace heating and kinetic parameters such as activation energies for desorption and adsorption can be varied to show the absorbance profile dependence on these parameters. Even data such as time-dependent spatial distribution of analyte inside the furnace can be collected. The DOS version also permits input of external temperaturetime data to permit comparison of simulated profiles with experimentally obtained absorbance data. The run-time versions are provided along with the source code. This article is an electronic publication in Spectrochimica Acta Electronica (SAE), the electronic section of Spectrochimica Acta Part B (SAB). The hardcopy text is accompanied by a diskette with a program (PC format), data files and text files.

Spatial Concentrations of Silicon Atoms in RF Discharges of Silane.

DTIC Science & Technology

1985-02-18

regions. These profiles were much more sensitive to plasma chemistry changes than profiles obtained from plasma emission. Experiments with nitrogen...addition demonstrated significant changes in the silicon atom profiles near the sheath boundary. Originator supplied keywords include: rf discharge, silane, plasma chemistry , silicon atom, laser-induced fluorescence.

Self-organization in cold atomic gases: a synchronization perspective.

PubMed

Tesio, E; Robb, G R M; Oppo, G-L; Gomes, P M; Ackemann, T; Labeyrie, G; Kaiser, R; Firth, W J

2014-10-28

We study non-equilibrium spatial self-organization in cold atomic gases, where long-range spatial order spontaneously emerges from fluctuations in the plane transverse to the propagation axis of a single optical beam. The self-organization process can be interpreted as a synchronization transition in a fully connected network of fictitious oscillators, and described in terms of the Kuramoto model. © 2014 The Author(s) Published by the Royal Society. All rights reserved.

Outer satellite atmospheres: Their nature and planetary interactions

NASA Technical Reports Server (NTRS)

Smyth, W. H.; Combi, M. R.

1982-01-01

Significant progress is reported in early modeling analysis of observed sodium cloud images with our new model which includes the oscillating Io plasma torus ionization sink. Both the general w-D morphology of the region B cloud as well as the large spatial gradient seen between the region A and B clouds are found to be consistent with an isotropic flux of sodium atoms from Io. Model analysis of the spatially extended high velocity directional features provided substantial evidence for a magnetospheric wind driven gas escape mechanism from Io. In our efforts to define the source(s) of hydrogen atoms in the Saturn system, major steps were taken in order to understand the role of Titan. We have completed the comparison of the Voyager UVS data with previous Titan model results, as well as the update of the old model computer code to handle the spatially varying ionization sink for H atoms.

NARROW Na AND K ABSORPTION LINES TOWARD T TAURI STARS: TRACING THE ATOMIC ENVELOPE OF MOLECULAR CLOUDS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pascucci, I.; Simon, M. N.; Edwards, S.

2015-11-20

We present a detailed analysis of narrow Na i and K i absorption resonance lines toward nearly 40 T Tauri stars in Taurus with the goal of clarifying their origin. The Na i λ5889.95 line is detected toward all but one source, while the weaker K i λ7698.96 line is detected in about two-thirds of the sample. The similarity in their peak centroids and the significant positive correlation between their equivalent widths demonstrate that these transitions trace the same atomic gas. The absorption lines are present toward both disk and diskless young stellar objects, which excludes cold gas within themore » circumstellar disk as the absorbing material. A comparison of Na i and CO detections and peak centroids demonstrates that the atomic gas and molecular gas are not co-located, the atomic gas being more extended than the molecular gas. The width of the atomic lines corroborates this finding and points to atomic gas about an order of magnitude warmer than the molecular gas. The distribution of Na i radial velocities shows a clear spatial gradient along the length of the Taurus molecular cloud filaments. This suggests that absorption is associated with the Taurus molecular cloud. Assuming that the gradient is due to cloud rotation, the rotation of the atomic gas is consistent with differential galactic rotation, whereas the rotation of the molecular gas, although with the same rotation axis, is retrograde. Our analysis shows that narrow Na i and K i absorption resonance lines are useful tracers of the atomic envelope of molecular clouds. In line with recent findings from giant molecular clouds, our results demonstrate that the velocity fields of the atomic and molecular gas are misaligned. The angular momentum of a molecular cloud is not simply inherited from the rotating Galactic disk from which it formed but may be redistributed by cloud–cloud interactions.« less

Variational Monte Carlo Method with Dirichlet Boundary Conditions: Application to the Study of Confined Systems by Impenetrable Surfaces with Different Symmetries.

PubMed

Sarsa, Antonio; Le Sech, Claude

2011-09-13

Variational Monte Carlo method is a powerful tool to determine approximate wave functions of atoms, molecules, and solids up to relatively large systems. In the present work, we extend the variational Monte Carlo approach to study confined systems. Important properties of the atoms, such as the spatial distribution of the electronic charge, the energy levels, or the filling of electronic shells, are modified under confinement. An expression of the energy very similar to the estimator used for free systems is derived. This opens the possibility to study confined systems with little changes in the solution of the corresponding free systems. This is illustrated by the study of helium atom in its ground state (1)S and the first (3)S excited state confined by spherical, cylindrical, and plane impenetrable surfaces. The average interelectronic distances are also calculated. They decrease in general when the confinement is stronger; however, it is seen that they present a minimum for excited states under confinement by open surfaces (cylindrical, planes) around the radii values corresponding to ionization. The ground (2)S and the first (2)P and (2)D excited states of the lithium atom are calculated under spherical constraints for different confinement radii. A crossing between the (2)S and (2)P states is observed around rc = 3 atomic units, illustrating the modification of the atomic energy level under confinement. Finally the carbon atom is studied in the spherical symmetry by using both variational and diffusion Monte Carlo methods. It is shown that the hybridized state sp(3) becomes lower in energy than the ground state (3)P due to a modification and a mixing of the atomic orbitals s, p under strong confinement. This result suggests a model, at least of pedagogical interest, to interpret the basic properties of carbon atom in chemistry.

Using simulation to interpret experimental data in terms of protein conformational ensembles.

PubMed

Allison, Jane R

2017-04-01

In their biological environment, proteins are dynamic molecules, necessitating an ensemble structural description. Molecular dynamics simulations and solution-state experiments provide complimentary information in the form of atomically detailed coordinates and averaged or distributions of structural properties or related quantities. Recently, increases in the temporal and spatial scale of conformational sampling and comparison of the more diverse conformational ensembles thus generated have revealed the importance of sampling rare events. Excitingly, new methods based on maximum entropy and Bayesian inference are promising to provide a statistically sound mechanism for combining experimental data with molecular dynamics simulations. Copyright © 2016 Elsevier Ltd. All rights reserved.

The role of drop velocity in statistical spray description

NASA Technical Reports Server (NTRS)

Groeneweg, J. F.; El-Wakil, M. M.; Myers, P. S.; Uyehara, O. A.

1978-01-01

The justification for describing a spray by treating drop velocity as a random variable on an equal statistical basis with drop size was studied experimentally. A double exposure technique using fluorescent drop photography was used to make size and velocity measurements at selected locations in a steady ethanol spray formed by a swirl atomizer. The size velocity data were categorized to construct bivariate spray density functions to describe the spray immediately after formation and during downstream propagation. Bimodal density functions were formed by environmental interaction during downstream propagation. Large differences were also found between spatial mass density and mass flux size distribution at the same location.

Track structure: time evolution from physics to chemistry.

PubMed

Dingfelder, M

2006-01-01

This review discusses interaction cross sections of charged particles (electrons, protons, light ions) with atoms and molecules. The focus is on biological relevant targets like liquid water which serves as a substitute of soft tissue in most Monte Carlo codes. The spatial distribution of energy deposition patterns by different radiation qualities and their importance to the time evolution from the physical to the chemical stage or radiation response is discussed. The determination of inelastic interaction cross sections for charged particles in condensed matter is discussed within the relativistic plane-wave Born approximation and semi-empirical models. The dielectric-response-function of liquid water is discussed.

Nonlinear Optical Interactions in Plasmas at JILA

NASA Astrophysics Data System (ADS)

Dollar, F.; Hickstein, D. D.; Popmintchev, D.; Becker, A.; Ellis, J.; Hernandez-Garcia, C.; Jaron-Becker, A.; Popmintchev, T.; Xiong, W.; Murnane, M. M.; Kapteyn, H. C.; Dukovic, G.; Jimenez, J.; Palm, B.; Schnitzenbaumer, K.; Perez-Hernandez, J.; Gaeta, A.; Gao, X.; Shim, B.; Plaja, L.; Levis, R.; Tarazkar, M.; Foord, M. E.; Gaffney, J. A.; Libby, S. B.

2014-10-01

We present data from two recent experiments. First, we demonstrate direct observations of localized light absorption in a single nanoparticle irradiated by a strong femtosecond laser field. By imaging the photoion momentum distribution resulting from plasma formation in a laser-irradiated nanostructure, we map the spatial location of the highly localized plasma and thereby image the nanoscale light absorption. Secondly, we show the high linear and nonlinear UV refractive indices of both neutral atoms and ions compensate for plasma dispersion, even in multiply-ionized gases. The experimental work was primarily funded by DOE Grant Number: DE-SC0008803, the DARPA PULSE program, and ARO W911NF-12-1-0436.

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

NASA Astrophysics Data System (ADS)

Wopperer, Philipp; De Giovannini, Umberto; Rubio, Angel

2017-03-01

We derive and extend the time-dependent surface-flux method introduced in [L. Tao, A. Scrinzi, New J. Phys. 14, 013021 (2012)] within a time-dependent density-functional theory (TDDFT) formalism and use it to calculate photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses. We present other, existing computational TDDFT methods that are suitable for the calculation of electron emission in compact spatial regions, and compare their results. We illustrate the performance of the new method by simulating strong-field ionization of C60 fullerene and discuss final state effects in the orbital reconstruction of planar organic molecules.

Kinetic Energy and Angular Distributions of He and Ar Atoms Evaporating from Liquid Dodecane.

PubMed

Patel, Enamul-Hasan; Williams, Mark A; Koehler, Sven P K

2017-01-12

We report both kinetic energy and angular distributions for He and Ar atoms evaporating from C 12 H 26 . All results were obtained by performing molecular dynamics simulations of liquid C 12 H 26 with around 10-20 noble gas atoms dissolved in the liquid and by subsequently following the trajectories of the noble gas atoms after evaporation from the liquid. Whereas He evaporates with a kinetic energy distribution of (1.05 ± 0.03) × 2RT (corrected for the geometry used in experiments: (1.08 ± 0.03) × 2RT, experimentally obtained value: (1.14 ± 0.01) × 2RT), Ar displays a kinetic energy distribution that better matches a Maxwell-Boltzmann distribution at the temperature of the liquid ((0.99 ± 0.04) × 2RT). This behavior is also reflected in the angular distributions, which are close to a cosine distribution for Ar but slightly narrower, especially for faster atoms, in the case of He. This behavior of He is most likely due to the weak interaction potential between He and the liquid hydrocarbon.

Gas Distributions in Comet ISON’s Coma: Concurrent Integral-Field Spectroscopy and Narrow-band Imaging.

NASA Astrophysics Data System (ADS)

Schmidt, Carl; Johnson, Robert E.; Baumgardner, Jeffrey; Mendillo, Michael

2014-11-01

At a solar distance of 0.44 AU, Oort cloud comet C/2012 S1 (ISON) exhibited an outburst phase that was observed by small telescopes at the McDonald Observatory. In conjunction with narrow-band (14Å) imaging over a wide-field, an image-slicer spectrograph ( 20,000) simultaneously measured the spatial distribution of ISON’s coma over a 1.6 x 2.7 arcminute field made up of 246 individual spectra. More than fifty emission lines from C2, NH2, CO, H2O+ and Na were observed within a single Echelle order spanning 5868Å to 5930Å. Spatial reconstructions of these species reveal that ISON’s coma was quite elongated several thousand km along the axis perpendicular to its motion. The ion tail appeared distinctly broader than the neutral Na tail, providing strong evidence that Na in the coma did not originate by dissociative recombination of a sodium bearing molecular ion. Production rates increased from 1.6 ± 0.3 x 1023 to 5.8 ± 1 x 1023 Na atoms/s within 24 hours, outgassing much less than comparable comets relative to ISON’s water production. The anti-sunward Na tail was imaged >106 km from the nucleus. Its distribution indicates origins both near the nucleus and in the dust tail, with the ratio of these Na sources varying on hourly timescales due to outburst activity.

Prospects for Cherenkov Telescope Array Observations of the Young Supernova Remnant RX J1713.7−3946

DOE Office of Scientific and Technical Information (OSTI.GOV)

Acero, F.; Aloisio, R.; Amato, E.

We perform simulations for future Cherenkov Telescope Array (CTA) observations of RX J1713.7−3946, a young supernova remnant (SNR) and one of the brightest sources ever discovered in very high energy (VHE) gamma rays. Special attention is paid to exploring possible spatial (anti)correlations of gamma rays with emission at other wavelengths, in particular X-rays and CO/H i emission. We present a series of simulated images of RX J1713.7−3946 for CTA based on a set of observationally motivated models for the gamma-ray emission. In these models, VHE gamma rays produced by high-energy electrons are assumed to trace the nonthermal X-ray emission observedmore » by XMM-Newton , whereas those originating from relativistic protons delineate the local gas distributions. The local atomic and molecular gas distributions are deduced by the NANTEN team from CO and H i observations. Our primary goal is to show how one can distinguish the emission mechanism(s) of the gamma rays (i.e., hadronic versus leptonic, or a mixture of the two) through information provided by their spatial distribution, spectra, and time variation. This work is the first attempt to quantitatively evaluate the capabilities of CTA to achieve various proposed scientific goals by observing this important cosmic particle accelerator.« less

Prospects for Cherenkov Telescope Array Observations of the Young Supernova Remnant RX J1713.7–3946

DOE Office of Scientific and Technical Information (OSTI.GOV)

Acero, F.; Aloisio, R.; Amans, J.

Here, we perform simulations for future Cherenkov Telescope Array (CTA) observations of RX J1713.7–3946, a young supernova remnant (SNR) and one of the brightest sources ever discovered in very high energy (VHE) gamma rays. Special attention is paid to exploring possible spatial (anti)correlations of gamma rays with emission at other wavelengths, in particular X-rays and CO/H i emission. We present a series of simulated images of RX J1713.7–3946 for CTA based on a set of observationally motivated models for the gamma-ray emission. In these models, VHE gamma rays produced by high-energy electrons are assumed to trace the nonthermal X-ray emissionmore » observed by XMM-Newton, whereas those originating from relativistic protons delineate the local gas distributions. The local atomic and molecular gas distributions are deduced by the NANTEN team from CO and H i observations. Our primary goal is to show how one can distinguish the emission mechanism(s) of the gamma rays (i.e., hadronic versus leptonic, or a mixture of the two) through information provided by their spatial distribution, spectra, and time variation. This work is the first attempt to quantitatively evaluate the capabilities of CTA to achieve various proposed scientific goals by observing this important cosmic particle accelerator.« less

Prospects for Cherenkov Telescope Array Observations of the Young Supernova Remnant RX J1713.7–3946

DOE PAGES

Acero, F.; Aloisio, R.; Amans, J.; ...

2017-05-09

Here, we perform simulations for future Cherenkov Telescope Array (CTA) observations of RX J1713.7–3946, a young supernova remnant (SNR) and one of the brightest sources ever discovered in very high energy (VHE) gamma rays. Special attention is paid to exploring possible spatial (anti)correlations of gamma rays with emission at other wavelengths, in particular X-rays and CO/H i emission. We present a series of simulated images of RX J1713.7–3946 for CTA based on a set of observationally motivated models for the gamma-ray emission. In these models, VHE gamma rays produced by high-energy electrons are assumed to trace the nonthermal X-ray emissionmore » observed by XMM-Newton, whereas those originating from relativistic protons delineate the local gas distributions. The local atomic and molecular gas distributions are deduced by the NANTEN team from CO and H i observations. Our primary goal is to show how one can distinguish the emission mechanism(s) of the gamma rays (i.e., hadronic versus leptonic, or a mixture of the two) through information provided by their spatial distribution, spectra, and time variation. This work is the first attempt to quantitatively evaluate the capabilities of CTA to achieve various proposed scientific goals by observing this important cosmic particle accelerator.« less

Spectrocopic measurements of water vapor plasmas at high resolution: The optical transition probabilities for OH (A 2 Sigma - X 2 Pi)

NASA Technical Reports Server (NTRS)

Klein, L.

1972-01-01

Emission and absorption spectra of water vapor plasmas generated in a wall-stabilized arc at atmospheric pressure and 4 current, and at 0.03 atm and 15 to 50 A, were measured at high spatial and spectral resolution. The gas temperature was determined from the shape of Doppler-broadened rotational lines of OH. The observed nonequilibrium population distributions over the energy levels of atoms are interpreted in terms of a theoretical state model for diffusion-controlled arc plasmas. Excellent correlation is achieved between measured and predicted occupation of hydrogen energy levels. It is shown that the population distribution over the nonpredissociating rotational-vibrational levels of the A 2 Sigma state of OH is close to an equilibrium distribution at the gas temperature, although the total density of this state is much higher than its equilibrium density. The reduced intensities of the rotational lines originating in these levels yielded Boltzmann plots that were strictly linear.

Doping Scheme in Atomic Chain Electronics

NASA Technical Reports Server (NTRS)

Toshishige, Yamada

1997-01-01

Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of pant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Advancement of Compositional and Microstructural Design of Intermetallic γ-TiAl Based Alloys Determined by Atom Probe Tomography

PubMed Central

Klein, Thomas; Clemens, Helmut; Mayer, Svea

2016-01-01

Advanced intermetallic alloys based on the γ-TiAl phase have become widely regarded as most promising candidates to replace heavier Ni-base superalloys as materials for high-temperature structural components, due to their facilitating properties of high creep and oxidation resistance in combination with a low density. Particularly, recently developed alloying concepts based on a β-solidification pathway, such as the so-called TNM alloy, which are already incorporated in aircraft engines, have emerged offering the advantage of being processible using near-conventional methods and the option to attain balanced mechanical properties via subsequent heat-treatment. Development trends for the improvement of alloying concepts, especially dealing with issues regarding alloying element distribution, nano-scale phase characterization, phase stability, and phase formation mechanisms demand the utilization of high-resolution techniques, mainly due to the multi-phase nature of advanced TiAl alloys. Atom probe tomography (APT) offers unique possibilities of characterizing chemical compositions with a high spatial resolution and has, therefore, been widely used in recent years with the aim of understanding the materials constitution and appearing basic phenomena on the atomic scale and applying these findings to alloy development. This review, thus, aims at summarizing scientific works regarding the application of atom probe tomography towards the understanding and further development of intermetallic TiAl alloys. PMID:28773880

Atomic-scale mapping of electronic structures across heterointerfaces by cross-sectional scanning tunneling microscopy

NASA Astrophysics Data System (ADS)

Chiu, Ya-Ping; Huang, Bo-Chao; Shih, Min-Chuan; Huang, Po-Cheng; Chen, Chun-Wei

2015-09-01

Interfacial science has received much attention recently based on the development of state-of-the-art analytical tools that can create and manipulate the charge, spin, orbital, and lattice degrees of freedom at interfaces. Motivated by the importance of nanoscale interfacial science that governs device operation, we present a technique to probe the electronic characteristics of heterointerfaces with atomic resolution. In this work, the interfacial characteristics of heteroepitaxial structures are investigated and the fundamental mechanisms that pertain in these systems are elucidated through cross-sectional scanning tunneling microscopy (XSTM). The XSTM technique is employed here to directly observe epitaxial interfacial structures and probe local electronic properties with atomic-level capability. Scanning tunneling microscopy and spectroscopy experiments with atomic precision provide insight into the origin and spatial distribution of electronic properties across heterointerfaces. The first part of this report provides a brief description of the cleavage technique and spectroscopy analysis in XSTM measurements. The second part addresses interfacial electronic structures of several model heterostructures in current condensed matter research using XSTM. Topics to be discussed include high-κ‘s/III-V’s semiconductors, polymer heterojunctions, and complex oxide heterostructures, which are all material systems whose investigation using this technique is expected to benefit the research community. Finally, practical aspects and perspectives of using XSTM in interface science are presented.

Advancement of Compositional and Microstructural Design of Intermetallic γ-TiAl Based Alloys Determined by Atom Probe Tomography.

PubMed

Klein, Thomas; Clemens, Helmut; Mayer, Svea

2016-09-06

Advanced intermetallic alloys based on the γ-TiAl phase have become widely regarded as most promising candidates to replace heavier Ni-base superalloys as materials for high-temperature structural components, due to their facilitating properties of high creep and oxidation resistance in combination with a low density. Particularly, recently developed alloying concepts based on a β-solidification pathway, such as the so-called TNM alloy, which are already incorporated in aircraft engines, have emerged offering the advantage of being processible using near-conventional methods and the option to attain balanced mechanical properties via subsequent heat-treatment. Development trends for the improvement of alloying concepts, especially dealing with issues regarding alloying element distribution, nano-scale phase characterization, phase stability, and phase formation mechanisms demand the utilization of high-resolution techniques, mainly due to the multi-phase nature of advanced TiAl alloys. Atom probe tomography (APT) offers unique possibilities of characterizing chemical compositions with a high spatial resolution and has, therefore, been widely used in recent years with the aim of understanding the materials constitution and appearing basic phenomena on the atomic scale and applying these findings to alloy development. This review, thus, aims at summarizing scientific works regarding the application of atom probe tomography towards the understanding and further development of intermetallic TiAl alloys.

The Spatial Thinking Workbook: A Research-Validated Spatial Skills Curriculum for Geology Majors

ERIC Educational Resources Information Center

Ormand, Carol J.; Shipley, Thomas F.; Tikoff, Basil; Dutrow, Barbara; Goodwin, Laurel B.; Hickson, Thomas; Atit, Kinnari; Gagnier, Kristin; Resnick, Ilyse

2017-01-01

Spatial visualization is an essential prerequisite for understanding geological features at all scales, such as the atomic structures of minerals, the geometry of a complex fault system, or the architecture of sedimentary deposits. Undergraduate geoscience majors bring a range of spatial skill levels to upper-level courses. Fortunately, spatial…

Atom probe tomographic mapping directly reveals the atomic distribution of phosphorus in resin embedded ferritin

DOE PAGES

Perea, Daniel E.; Liu, Jia; Bartrand, Jonah A. G.; ...

2016-02-29

In this study, we report the atomic-scale analysis of biological interfaces using atom probe tomography. Embedding the protein ferritin in an organic polymer resin lacking nitrogen provided chemical contrast to visualize atomic distributions and distinguish organic-organic and organic-inorganic interfaces. The sample preparation method can be directly extended to further enhance the study of biological, organic and inorganic nanomaterials relevant to health, energy or the environment.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Reiche, D.; Dalvit, D. A. R.; Busch, K.

We investigate the influence of spatial dispersion on atom-surface quantum friction. We show that for atom-surface separations shorter than the carrier's mean free path within the material, the frictional force can be several orders of magnitude larger than that predicted by local optics. In addition, when taking into account spatial dispersion effects, we show that the commonly used local thermal equilibrium approximation underestimates by approximately 95% the drag force, obtained by employing the recently reported nonequilibrium fluctuation-dissipation relation for quantum friction. Unlike the treatment based on local optics, spatial dispersion in conjunction with corrections to local thermal equilibrium change notmore » only the magnitude but also the distance scaling of quantum friction.« less

Quantum Atomic Clock Synchronization: An Entangled Concept of Nonlocal Simultaneity

NASA Technical Reports Server (NTRS)

Abrams, D.; Dowling, J.; Williams, C.; Jozsa, R.

2000-01-01

We demonstrate that two spatially separated parties (Alice and Bob) can utilize shared prior quantum entanglement, as well as a classical information channel, to establish a synchronized pair of atomic clocks.

Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

NASA Astrophysics Data System (ADS)

Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

2016-12-01

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ~0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.

Intrinsic alterations in the partial molar volume on the protein denaturation: surficial Kirkwood-Buff approach.

PubMed

Yu, Isseki; Takayanagi, Masayoshi; Nagaoka, Masataka

2009-03-19

The partial molar volume (PMV) of the protein chymotrypsin inhibitor 2 (CI2) was calculated by all-atom MD simulation. Denatured CI2 showed almost the same average PMV value as that of native CI2. This is consistent with the phenomenological question of the protein volume paradox. Furthermore, using the surficial Kirkwood-Buff approach, spatial distributions of PMV were analyzed as a function of the distance from the CI2 surface. The profiles of the new R-dependent PMV indicate that, in denatured CI2, the reduction in the solvent electrostatic interaction volume is canceled out mainly by an increment in thermal volume in the vicinity of its surface. In addition, the PMV of the denatured CI2 was found to increase in the region in which the number density of water atoms is minimum. These results provide a direct and detailed picture of the mechanism of the protein volume paradox suggested by Chalikian et al.

Studies of the Gas Tori of Titan and Triton

NASA Technical Reports Server (NTRS)

Smyth, William H.; Marconi, M. L.

1997-01-01

A model for the spatial distribution of hydrogen in the Saturn system including a Titan source, an interior source for the rings and inner icy satellites, and a Saturn source has been applied to the best available Voyager 1 and 2 UVS Lyman-alpha observations presented by Shemansky and Hall. Although the model-data comparison is limited by the quality of the observational data, source rates for a Titan source of 3.3 - 4.8 x 10(exp 27) H atoms/s and, for the first time, source rates larger by about a factor of four for the interior source of 1.4 - 1.9 x 10(exp 27) H atoms/s were determined. Outside the immediate location of the planet, the Saturn source is only a minor contribution of hydrogen. A paper describing this research in more detail has been submitted to The Astrophysical Journal for publication and is included in the Appendix. Limited progress in the development of a model for the collisional gas tori of Triton is also discussed.

Energetics and solvation structure of a dihalogen dopant (I2) in (4)He clusters.

PubMed

Pérez de Tudela, Ricardo; Barragán, Patricia; Valdés, Álvaro; Prosmiti, Rita

2014-08-21

The energetics and structure of small HeNI2 clusters are analyzed as the size of the system changes, with N up to 38. The full interaction between the I2 molecule and the He atoms is based on analytical ab initio He-I2 potentials plus the He-He interaction, obtained from first-principle calculations. The most stable structures, as a function of the number of solvent He atoms, are obtained by employing an evolutionary algorithm and compared with CCSD(T) and MP2 ab initio computations. Further, the classical description is completed by explicitly including thermal corrections and quantum features, such as zero-point-energy values and spatial delocalization. From quantum PIMC calculations, the binding energies and radial/angular probability density distributions of the thermal equilibrium state for selected-size clusters are computed at a low temperature. The sequential formation of regular shell structures is analyzed and discussed for both classical and quantum treatments.

Investigation of air-assisted sprays submitted to high frequency transverse acoustic fields: Droplet clustering

NASA Astrophysics Data System (ADS)

Ficuciello, A.; Blaisot, J. B.; Richard, C.; Baillot, F.

2017-06-01

An experimental investigation of the effects of a high amplitude transverse acoustic field on coaxial jets is presented in this paper. Water and air are used as working fluids at ambient pressure. The coaxial injectors are placed on the top of a semi-open resonant cavity where the acoustic pressure fluctuations of the standing wave can reach a maximum peak-to-peak amplitude of 12 kPa at the forcing frequency of 1 kHz. Several test conditions are considered in order to quantify the influence of injection conditions, acoustic field amplitude, and injector position with respect to the standing wave acoustic field. A high speed back-light visualization technique is used to characterize the jet response. Image processing is used to obtain valuable information about the jet behavior. It is shown that the acoustic field drastically affects the atomization process for all atomization regimes. The position of the injector in the acoustic field determines the jet response, and a droplet-clustering phenomenon is highlighted in multi-point injection conditions and quantified by determining discrete droplet location distributions. A theoretical model based on nonlinear acoustics related to the spatial distribution of the radiation pressure exerted on an object explains the behavior observed.

Energy, angular and spatial distributions of primary electrons inside photoconducting materials for digital mammography: Monte Carlo simulation studies.

PubMed

Sakellaris, T; Spyrou, G; Tzanakos, G; Panayiotakis, G

2007-11-07

Materials such as a-Se, a-As(2)Se(3), GaSe, GaAs, Ge, CdTe, CdZnTe, Cd(0.8)Zn(0.2)Te, ZnTe, PbO, TlBr, PbI(2) and HgI(2) are potential candidates as photoconductors in direct detectors for digital mammography. The x-ray induced primary electrons inside a photoconductor's bulk comprise the initial signal that propagates and forms the final signal (image) on the detector's electrodes. An already developed model for a-Se has been properly extended to simulate the primary electron production in the materials mentioned. Primary electron characteristics, such as their energy, angular and spatial distributions that strongly influence the characteristics of the final image, were studied for both monoenergetic and polyenergetic x-ray spectra in the mammographic energy range. The characteristic feature in the electron energy distributions for PbI(2) and HgI(2) is the atomic deexcitation peaks, whereas for the rest of the materials their shape can also be influenced by the electrons produced from primary photons. The electrons have a small tendency to be forward ejected whereas they prefer to be ejected perpendicular (theta = pi/2) to the incident beam's axis and at two lobes around phi = 0 and phi = pi. At practical mammographic energies (15-40 keV) a-Se, a-As(2)Se(3) and Ge have the minimum azimuthal uniformity whereas CdZnTe, Cd(0.8)Zn(0.2)Te and CdTe the maximum one. The spatial distributions for a-Se, a-As(2)Se(3), GaSe, GaAs, Ge, PbO and TlBr are almost independent of the polyenergetic spectrum, while those for CdTe, CdZnTe, Cd(0.8)Zn(0.2)Te, ZnTe, PbI(2) and HgI(2) have a spectrum dependence. In the practical mammographic energy range and at this primitive stage of primary electron production, a-Se has the best inherent spatial resolution as compared to the rest of the photoconductors. PbO has the minimum bulk space in which electrons can be produced whereas CdTe has the maximum one.

Precision bounds for gradient magnetometry with atomic ensembles

NASA Astrophysics Data System (ADS)

Apellaniz, Iagoba; Urizar-Lanz, Iñigo; Zimborás, Zoltán; Hyllus, Philipp; Tóth, Géza

2018-05-01

We study gradient magnetometry with an ensemble of atoms with arbitrary spin. We calculate precision bounds for estimating the gradient of the magnetic field based on the quantum Fisher information. For quantum states that are invariant under homogeneous magnetic fields, we need to measure a single observable to estimate the gradient. On the other hand, for states that are sensitive to homogeneous fields, a simultaneous measurement is needed, as the homogeneous field must also be estimated. We prove that for the cases studied in this paper, such a measurement is feasible. We present a method to calculate precision bounds for gradient estimation with a chain of atoms or with two spatially separated atomic ensembles. We also consider a single atomic ensemble with an arbitrary density profile, where the atoms cannot be addressed individually, and which is a very relevant case for experiments. Our model can take into account even correlations between particle positions. While in most of the discussion we consider an ensemble of localized particles that are classical with respect to their spatial degree of freedom, we also discuss the case of gradient metrology with a single Bose-Einstein condensate.

Spatial Distribution of Ozone Precursors in the Uinta Basin

NASA Astrophysics Data System (ADS)

Mangum, C. D.; Lyman, S. N.

2012-12-01

Wintertime ozone mixing ratios in the Uinta Basin of Utah exceeding the EPA National Ambient Air Quality Standards measured during 2010 and 2011 led to a large campaign carried out in 2012 that included a study of the spatial distribution of ozone precursors in the Basin. In this study, speciated hydrocarbon mixing ratios (compounds with 6-11 carbon atoms) were measure at 10 sites around the Uinta Basin with Radiello passive samplers, and NO2, NO, and NOx (NO2 + NO) mixing ratios were measured at 16 sites with Ogawa passive sampler and active sampling instruments. Analysis of the Radiello passive samplers was carried out by CS2 desorption and analyzed on a Shimadzu QP-2010 GCMS. Analysis of the Ogawa passive samplers was done via 18.2 megohm water extraction and analyzed with a Dionex ICS-3000 ion chromatography system. February average hydrocarbon mixing ratios were highest in the area of maximum gas production (64.5 ppb as C3), lower in areas of oil production (24.3-30.0 ppb as C3), and lowest in urban areas and on the Basin rim (1.7-17.0 ppb as C3). February average for NOx was highest in the most densely populated urban area, Vernal (11.2 ppb), lower in in the area of maximum gas production (6.1 ppb), and lower still in areas of oil production and on the Basin Rim (0.6-2.7 ppb). Hydrocarbon speciation showed significant differences in spatial distribution around the Basin. Higher mixing ratios of toluene and other aromatics were much more prevalent in gas producing areas than oil producing areas. Similar mixing ratios of straight-chain alkane were observed in both areas. Higher mixing ratios of cycloalkanes were slightly more prevalent in gas producing than oil producing areas.

A stochastic differential equations approach for the description of helium bubble size distributions in irradiated metals

NASA Astrophysics Data System (ADS)

Seif, Dariush; Ghoniem, Nasr M.

2014-12-01

A rate theory model based on the theory of nonlinear stochastic differential equations (SDEs) is developed to estimate the time-dependent size distribution of helium bubbles in metals under irradiation. Using approaches derived from Itô's calculus, rate equations for the first five moments of the size distribution in helium-vacancy space are derived, accounting for the stochastic nature of the atomic processes involved. In the first iteration of the model, the distribution is represented as a bivariate Gaussian distribution. The spread of the distribution about the mean is obtained by white-noise terms in the second-order moments, driven by fluctuations in the general absorption and emission of point defects by bubbles, and fluctuations stemming from collision cascades. This statistical model for the reconstruction of the distribution by its moments is coupled to a previously developed reduced-set, mean-field, rate theory model. As an illustrative case study, the model is applied to a tungsten plasma facing component under irradiation. Our findings highlight the important role of stochastic atomic fluctuations on the evolution of helium-vacancy cluster size distributions. It is found that when the average bubble size is small (at low dpa levels), the relative spread of the distribution is large and average bubble pressures may be very large. As bubbles begin to grow in size, average bubble pressures decrease, and stochastic fluctuations have a lessened effect. The distribution becomes tighter as it evolves in time, corresponding to a more uniform bubble population. The model is formulated in a general way, capable of including point defect drift due to internal temperature and/or stress gradients. These arise during pulsed irradiation, and also during steady irradiation as a result of externally applied or internally generated non-homogeneous stress fields. Discussion is given into how the model can be extended to include full spatial resolution and how the implementation of a path-integral approach may proceed if the distribution is known experimentally to significantly stray from a Gaussian description.

Automated aberration compensation in high numerical aperture systems for arbitrary laser modes (Conference Presentation)

NASA Astrophysics Data System (ADS)

Hering, Julian; Waller, Erik H.; von Freymann, Georg

2017-02-01

Since a large number of optical systems and devices are based on differently shaped focal intensity distributions (point-spread-functions, PSF), the PSF's quality is crucial for the application's performance. E.g., optical tweezers, optical potentials for trapping of ultracold atoms as well as stimulated-emission-depletion (STED) based microscopy and lithography rely on precisely controlled intensity distributions. However, especially in high numerical aperture (NA) systems, such complex laser modes are easily distorted by aberrations leading to performance losses. Although different approaches addressing phase retrieval algorithms have been recently presented[1-3], fast and automated aberration compensation for a broad variety of complex shaped PSFs in high NA systems is still missing. Here, we report on a Gerchberg-Saxton[4] based algorithm (GSA) for automated aberration correction of arbitrary PSFs, especially for high NA systems. Deviations between the desired target intensity distribution and the three-dimensionally (3D) scanned experimental focal intensity distribution are used to calculate a correction phase pattern. The target phase distribution plus the correction pattern are displayed on a phase-only spatial-light-modulator (SLM). Focused by a high NA objective, experimental 3D scans of several intensity distributions allow for characterization of the algorithms performance: aberrations are reliably identified and compensated within less than 10 iterations. References 1. B. M. Hanser, M. G. L. Gustafsson, D. A. Agard, and J. W. Sedat, "Phase-retrieved pupil functions in wide-field fluorescence microscopy," J. of Microscopy 216(1), 32-48 (2004). 2. A. Jesacher, A. Schwaighofer, S. Frhapter, C. Maurer, S. Bernet, and M. Ritsch-Marte, "Wavefront correction of spatial light modulators using an optical vortex image," Opt. Express 15(9), 5801-5808 (2007). 3. A. Jesacher and M. J. Booth, "Parallel direct laser writing in three dimensions with spatially dependent aberration correction," Opt. Express 18(20), 21090-21099 (2010). 4. R. W. Gerchberg and W. O. Saxton, "A practical algorithm for the determination of the phase from image and diffraction plane pictures," Optik 35(2), 237-246 (1972).

Spatial Multiplexing of Atom-Photon Entanglement Sources using Feedforward Control and Switching Networks.

PubMed

Tian, Long; Xu, Zhongxiao; Chen, Lirong; Ge, Wei; Yuan, Haoxiang; Wen, Yafei; Wang, Shengzhi; Li, Shujing; Wang, Hai

2017-09-29

The light-matter quantum interface that can create quantum correlations or entanglement between a photon and one atomic collective excitation is a fundamental building block for a quantum repeater. The intrinsic limit is that the probability of preparing such nonclassical atom-photon correlations has to be kept low in order to suppress multiexcitation. To enhance this probability without introducing multiexcitation errors, a promising scheme is to apply multimode memories to the interface. Significant progress has been made in temporal, spectral, and spatial multiplexing memories, but the enhanced probability for generating the entangled atom-photon pair has not been experimentally realized. Here, by using six spin-wave-photon entanglement sources, a switching network, and feedforward control, we build a multiplexed light-matter interface and then demonstrate a ∼sixfold (∼fourfold) probability increase in generating entangled atom-photon (photon-photon) pairs. The measured compositive Bell parameter for the multiplexed interface is 2.49±0.03 combined with a memory lifetime of up to ∼51  μs.

Atom Interferometry on Atom Chips - A Novel Approach Towards Precision Inertial Navigation System - PINS

DTIC Science & Technology

2010-06-01

Demonstration of an area-enclosing guided-atom interferometer for rotation sensing, Phys. Rev. Lett. 99, 173201 (2007). 4. Heralded Single- Magnon Quantum...excitations are quantized spin waves ( magnons ), such that transitions between its energy levels ( magnon number states) correspond to highly directional...polarization storage in the form of a single collective-spin excitation ( magnon ) that is shared between two spatially overlapped atomic ensembles

Unambiguous observation of F-atom core-hole localization in CF 4 through body-frame photoelectron angular distributions

DOE PAGES

McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.; ...

2017-01-17

A dramatic symmetry breaking in K-shell photoionization of the CF 4 molecule in which a core-hole vacancy is created in one of four equivalent fluorine atoms is displayed in the molecular frame angular distribution of the photoelectrons. In observing the photoejected electron in coincidence with an F + atomic ion after Auger decay we see how selecting the dissociation path where the core hole was localized was almost exclusively on that atom. A combination of measurements and ab initio calculations of the photoelectron angular distribution in the frame of the recoiling CF 3 + and F + atoms elucidates themore » underlying physics that derives from the Ne-like valence structure of the F(1s -1) core-excited atom.« less

Optical perturbation of atoms in weak localization

NASA Astrophysics Data System (ADS)

Yedjour, A.

2018-01-01

We determine the microscopic transport parameters that are necessary to describe the diffusion process of the atomic gas in optical speckle. We use the self-consistent theory to calculate the self-energy of the atomic gas. We compute the spectral function numerically by an average over disorder realizations in terms of the Greens function. We focus mainly on the behaviour of the energy distribution of the atoms to estimate a correction to the mobility edge. Our results show that the energy distribution of the atoms locates the mobility edge position under the disorder amplitude. This behaviour changes for each disorder parameter. We conclude that the disorder amplitude potential induced modification of the energy distribution of the atoms that plays a major role for the prediction of the mobility edge.

Quantum Many-Body Dynamics with Driven Bose Condensates: Kibble-Zurek Mechanism and Bose Fireworks

NASA Astrophysics Data System (ADS)

Clark, Logan William

In recent years there has been an explosion of interest in the field of quantum many-body physics. Understanding the complex and often unintuitive behavior of systems containing interacting quantum constituents is not only fascinating but also crucial for developing the next generation of quantum technology, including better materials, sensors, and computers. Yet understanding such systems remains a challenge, particularly when considering the dynamics which occur when they are excited far from equilibrium. Ultracold atomic gases provide an ideal system with which to study dynamics by enabling clean, well-controlled experiments at length- and time-scales which allow us to observe the dynamics directly. This thesis describes experiments on the many-body dynamics of ultracold, bosonic cesium atoms. Our apparatus epitomizes the versatility of ultracold atoms by providing extensive control over the quantum gas. In particular, we will discuss our use of a digital micromirror device to project arbitrary, dynamic external potentials onto the gas; our development of a powerful new scheme for optically controlling Feshbach resonances to enable spatiotemporal control of the interactions between atoms; and our use of near-resonant shaking lattices to modify the kinetic energy of atoms. Taking advantage of this flexible apparatus, we have been able to test a longstanding conjecture based on the Kibble-Zurek mechanism, which says that the dynamics of a system crossing a quantum phase transition should obey a universal scaling symmetry of space and time. After accounting for this scaling symmetry, critical dynamics would be essentially independent of the rate at which a system crossed a phase transition. We tested the universal scaling of critical dynamics by using near-resonant shaking to drive Bose-Einstein condensates across an effectively ferromagnetic quantum phase transition. After crossing the phase transition, condensates divide themselves spatially into domains with finite quasimomentum. We measured the growth of these domains over time and the correlation functions describing their spatial distribution by directly reconstructing the quasimomentum distribution. We observed the expected scaling laws across more than an order of magnitude in the crossing rate, aside from which the observed critical dynamics were indeed independent of the crossing rate. These experiments provide strong support for the universal scaling symmetry of space and time and the extension of the Kibble-Zurek mechanism to quantum phase transitions. We also present the first observation of Bose Fireworks: the sudden emission of many bright, narrow jets of atoms from condensates with oscillating interaction strength. Even though the underlying inelastic s-wave collisions induced by oscillating interactions are isotropic, the collective nature of collisions in the condensate causes the outgoing bosonic atoms to bunch into narrow jets in the horizontal plane. This bunching results from runaway stimulated collisions, which we find can only occur above a threshold oscillation amplitude. The observed atom number in the jets suggests that they are seeded by quantum fluctuations. Moreover, in azimuthal correlation functions we observe forward correlations consistent with theory, which saturate the limit from the uncertainty principle. We also observe partial correlation between counterpropagating jets. Bose Fireworks provide a well-controlled platform for understanding the diverse class of systems in which a coherent source rapidly emits pairs of counterpropagating bosons.

Multipole correction of atomic monopole models of molecular charge distribution. I. Peptides

NASA Technical Reports Server (NTRS)

Sokalski, W. A.; Keller, D. A.; Ornstein, R. L.; Rein, R.

1993-01-01

The defects in atomic monopole models of molecular charge distribution have been analyzed for several model-blocked peptides and compared with accurate quantum chemical values. The results indicate that the angular characteristics of the molecular electrostatic potential around functional groups capable of forming hydrogen bonds can be considerably distorted within various models relying upon isotropic atomic charges only. It is shown that these defects can be corrected by augmenting the atomic point charge models by cumulative atomic multipole moments (CAMMs). Alternatively, sets of off-center atomic point charges could be automatically derived from respective multipoles, providing approximately equivalent corrections. For the first time, correlated atomic multipoles have been calculated for N-acetyl, N'-methylamide-blocked derivatives of glycine, alanine, cysteine, threonine, leucine, lysine, and serine using the MP2 method. The role of the correlation effects in the peptide molecular charge distribution are discussed.

A measurement of the angular distribution of 5 eV atomic oxygen scattered off a solid surface in earth orbit

NASA Technical Reports Server (NTRS)

Gregory, John C.; Peters, Palmer N.

1986-01-01

The angular distribution of 5 eV atomic oxygen scattered off a polished vitreous carbon surface was measured on a recent Space Shuttle flight. The experimental apparatus was of novel design, completely passive, and used thin silver films as the recording device for oxygen atoms. Most of the incident oxygen was contained in the reflected beam and remained in an active form and probably still atoms. Allowance was made for 12 percent loss of incident atoms which are converted to CO at the carbon surface. The scattered distribution which is wide lobular, peaking 15 deg in the forward direction, shows almost but not quite full accommodation.

Focusing Light Beams To Improve Atomic-Vapor Optical Buffers

NASA Technical Reports Server (NTRS)

Strekalov, Dmitry; Matsko, Andrey; Savchenkov, Anatoliy

2010-01-01

Specially designed focusing of light beams has been proposed as a means of improving the performances of optical buffers based on cells containing hot atomic vapors (e.g., rubidium vapor). There is also a companion proposal to improve performance by use of incoherent optical pumping under suitable conditions. Regarding the proposal to use focusing: The utility of atomic-vapor optical buffers as optical storage and processing devices has been severely limited by nonuniform spatial distributions of intensity in optical beams, arising from absorption of the beams as they propagate in atomic-vapor cells. Such nonuniformity makes it impossible to optimize the physical conditions throughout a cell, thereby making it impossible to optimize the performance of the cell as an optical buffer. In practical terms simplified for the sake of brevity, "to optimize" as used here means to design the cell so as to maximize the group delay of an optical pulse while keeping the absorption and distortion of the pulse reasonably small. Regarding the proposal to use incoherent optical pumping: For reasons too complex to describe here, residual absorption of light is one of the main impediments to achievement of desirably long group delays in hot atomic vapors. The present proposal is directed toward suppressing residual absorption of light. The idea of improving the performance of slow-light optical buffers by use of incoherent pumping overlaps somewhat with the basic idea of Raman-based slow-light systems. However, prior studies of those systems did not quantitatively answer the question of whether the performance of an atomic vapor or other medium that exhibits electromagnetically induced transparency (EIT) with Raman gain is superior to that of a medium that exhibits EIT without Raman gain.

High-order-harmonic generation from Rydberg atoms driven by plasmon-enhanced laser fields

NASA Astrophysics Data System (ADS)

Tikman, Y.; Yavuz, I.; Ciappina, M. F.; Chacón, A.; Altun, Z.; Lewenstein, M.

2016-02-01

We theoretically investigate high-order-harmonic generation (HHG) in Rydberg atoms driven by spatially inhomogeneous laser fields, induced, for instance, by plasmonic enhancement. It is well known that the laser intensity should exceed a certain threshold in order to stimulate HHG when noble gas atoms in their ground state are used as an active medium. One way to enhance the coherent light coming from a conventional laser oscillator is to take advantage of the amplification obtained by the so-called surface plasmon polaritons, created when a low-intensity laser field is focused onto a metallic nanostructure. The main limitation of this scheme is the low damage threshold of the materials employed in the nanostructure engineering. In this work we propose the use of Rydberg atoms, driven by spatially inhomogeneous, plasmon-enhanced laser fields, for HHG. We exhaustively discuss the behavior and efficiency of these systems in the generation of coherent harmonic emission. Toward this aim we numerically solve the time-dependent Schrödinger equation for an atom, with an electron initially in a highly excited n th Rydberg state, located in the vicinity of a metallic nanostructure. In this zone the electric field changes spatially on scales relevant for the dynamics of the laser-ionized electron. We first use a one-dimensional model to investigate systematically the phenomena. We then employ a more realistic situation, in which the interaction of a plasmon-enhanced laser field with a three-dimensional hydrogen atom is modeled. We discuss the scaling of the relevant input parameters with the principal quantum number n of the Rydberg state in question and demonstrate that harmonic emission can be achieved from Rydberg atoms well below the damage threshold, thus without deterioration of the geometry and properties of the metallic nanostructure.

Infrared absorption nano-spectroscopy using sample photoexpansion induced by tunable quantum cascade lasers.

PubMed

Lu, Feng; Belkin, Mikhail A

2011-10-10

We report a simple technique that allows obtaining mid-infrared absorption spectra with nanoscale spatial resolution under low-power illumination from tunable quantum cascade lasers. Light absorption is detected by measuring associated sample thermal expansion with an atomic force microscope. To detect minute thermal expansion we tune the repetition frequency of laser pulses in resonance with the mechanical frequency of the atomic force microscope cantilever. Spatial resolution of better than 50 nm is experimentally demonstrated.

Effect of temperature on the shape of spatial quasi-periodic oscillations of the refractive index of alkali atoms in an optically dense medium with a closed excitation contour of Δ type

DOE Office of Scientific and Technical Information (OSTI.GOV)

Barantsev, K A; Litvinov, A N

2014-10-31

A theory of a closed excitation contour (Δ system) of a three-level atom in an optically dense medium is constructed with allowance for temperature. The spatial quasi-periodic oscillations of the refractive index in the system under study are shown to damp with increasing temperature. The range of temperatures at which these oscillations are most pronounced is found. (quantum optics)

Micromorphological characterization of zinc/silver particle composite coatings

PubMed Central

Méndez, Alia; Reyes, Yolanda; Trejo, Gabriel; StĘpień, Krzysztof

2015-01-01

ABSTRACT The aim of this study was to evaluate the three‐dimensional (3D) surface micromorphology of zinc/silver particles (Zn/AgPs) composite coatings with antibacterial activity prepared using an electrodeposition technique. These 3D nanostructures were investigated over square areas of 5 μm × 5 μm by atomic force microscopy (AFM), fractal, and wavelet analysis. The fractal analysis of 3D surface roughness revealed that (Zn/AgPs) composite coatings have fractal geometry. Triangulation method, based on the linear interpolation type, applied for AFM data was employed in order to characterise the surfaces topographically (in amplitude, spatial distribution and pattern of surface characteristics). The surface fractal dimension D f, as well as height values distribution have been determined for the 3D nanostructure surfaces. Microsc. Res. Tech. 78:1082–1089, 2015. © 2015 The Authors published by Wiley Periodicals, Inc. PMID:26500164

Local-order metric for condensed-phase environments

NASA Astrophysics Data System (ADS)

Martelli, Fausto; Ko, Hsin-Yu; Oǧuz, Erdal C.; Car, Roberto

2018-02-01

We introduce a local order metric (LOM) that measures the degree of order in the neighborhood of an atomic or molecular site in a condensed medium. The LOM maximizes the overlap between the spatial distribution of sites belonging to that neighborhood and the corresponding distribution in a suitable reference system. The LOM takes a value tending to zero for completely disordered environments and tending to one for environments that perfectly match the reference. The site-averaged LOM and its standard deviation define two scalar order parameters, S and δ S , that characterize with excellent resolution crystals, liquids, and amorphous materials. We show with molecular dynamics simulations that S , δ S , and the LOM provide very insightful information in the study of structural transformations, such as those occurring when ice spontaneously nucleates from supercooled water or when a supercooled water sample becomes amorphous upon progressive cooling.

New force field for molecular simulation of guanidinium-based ionic liquids.

PubMed

Liu, Xiaomin; Zhang, Suojiang; Zhou, Guohui; Wu, Guangwen; Yuan, Xiaoliang; Yao, Xiaoqian

2006-06-22

An all-atom force field was proposed for a new class of room temperature ionic liquids (RTILs), N,N,N',N'-tetramethylguanidinium (TMG) RTILs. The model is based on the AMBER force field with modifications on several parameters. The refinements include (1) fitting the vibration frequencies for obtaining force coefficients of bonds and angles against the data obtained by ab initio calculations and/or by experiments and (2) fitting the torsion energy profiles of dihedral angles for obtaining torsion parameters against the data obtained by ab initio calculations. To validate the force field, molecular dynamics (MD) simulations at different temperatures were performed for five kinds of RTILs, where TMG acts as a cation and formate, lactate, perchlorate, trifluoroacetate, and trifluoromethylsulfonate act as anions. The predicted densities were in good agreement with the experimental data. Radial distribution functions (RDFs) and spatial distribution functions (SDFs) were investigated to depict the microscopic structures of the RTILs.

Measuring Roughnesses Of Optical Surfaces

NASA Technical Reports Server (NTRS)

Coulter, Daniel R.; Al-Jumaily, Gahnim A.; Raouf, Nasrat A.; Anderson, Mark S.

1994-01-01

Report discusses use of scanning tunneling microscopy and atomic force microscopy to measure roughnesses of optical surfaces. These techniques offer greater spatial resolution than other techniques. Report notes scanning tunneling microscopes and atomic force microscopes resolve down to 1 nm.

Designing exotic many-body states of atomic spin and motion in photonic crystals.

PubMed

Manzoni, Marco T; Mathey, Ludwig; Chang, Darrick E

2017-03-08

Cold atoms coupled to photonic crystals constitute an exciting platform for exploring quantum many-body physics. For example, such systems offer the potential to realize strong photon-mediated forces between atoms, which depend on the atomic internal (spin) states, and where both the motional and spin degrees of freedom can exhibit long coherence times. An intriguing question then is whether exotic phases could arise, wherein crystalline or other spatial patterns and spin correlations are fundamentally tied together, an effect that is atypical in condensed matter systems. Here, we analyse one realistic model Hamiltonian in detail. We show that this previously unexplored system exhibits a rich phase diagram of emergent orders, including spatially dimerized spin-entangled pairs, a fluid of composite particles comprised of joint spin-phonon excitations, phonon-induced Néel ordering, and a fractional magnetization plateau associated with trimer formation.

Localization of atomic excitation beyond the diffraction limit using electromagnetically induced transparency

NASA Astrophysics Data System (ADS)

Miles, J. A.; Das, Diptaranjan; Simmons, Z. J.; Yavuz, D. D.

2015-09-01

We experimentally demonstrate the localization of excitation between hyperfine ground states of 87Rb atoms to as small as λ /13 -wide spatial regions. We use ultracold atoms trapped in a dipole trap and utilize electromagnetically induced transparency (EIT) for the atomic excitation. The localization is achieved by combining a spatially varying coupling laser (standing wave) with the intensity dependence of EIT. The excitation is fast (150 ns laser pulses) and the dark-state fidelity can be made higher than 94% throughout the standing wave. Because the width of the localized regions is much smaller than the wavelength of the driving light, traditional optical imaging techniques cannot resolve the localized features. Therefore, to measure the excitation profile, we use an autocorrelation-like method where we perform two EIT sequences separated by a time delay, during which we move the standing wave.

Near-Atomic Three-Dimensional Mapping for Site-Specific Chemistry of 'Superbugs'.

PubMed

Adineh, Vahid R; Marceau, Ross K W; Velkov, Tony; Li, Jian; Fu, Jing

2016-11-09

Emergence of multidrug resistant Gram-negative bacteria has caused a global health crisis and last-line class of antibiotics such as polymyxins are increasingly used. The chemical composition at the cell surface plays a key role in antibiotic resistance. Unlike imaging the cellular ultrastructure with well-developed electron microscopy, the acquisition of a high-resolution chemical map of the bacterial surface still remains a technological challenge. In this study, we developed an atom probe tomography (APT) analysis approach to acquire mass spectra in the pulsed-voltage mode and reconstructed the 3D chemical distribution of atoms and molecules in the subcellular domain at the near-atomic scale. Using focused ion beam (FIB) milling together with micromanipulation, site-specific samples were retrieved from a single cell of Acinetobacter baumannii prepared as needle-shaped tips with end radii less than 60 nm, followed by a nanoscale coating of silver in the order of 10 nm. The significantly elevated conductivity provided by the metallic coating enabled successful and routine field evaporation of the biological material, with all the benefits of pulsed-voltage APT. In parallel with conventional cryo-TEM imaging, our novel approach was applied to investigate polymyxin-susceptible and -resistant strains of A. baumannii after treatment of polymyxin B. Acquired atom probe mass spectra from the cell envelope revealed characteristic fragments of phosphocholine from the polymyxin-susceptible strain, but limited signals from this molecule were detected in the polymyxin-resistant strain. This study promises unprecedented capacity for 3D nanoscale imaging and chemical mapping of bacterial cells at the ultimate 3D spatial resolution using APT.

Spatially patterned matrix elasticity directs stem cell fate

NASA Astrophysics Data System (ADS)

Yang, Chun; DelRio, Frank W.; Ma, Hao; Killaars, Anouk R.; Basta, Lena P.; Kyburz, Kyle A.; Anseth, Kristi S.

2016-08-01

There is a growing appreciation for the functional role of matrix mechanics in regulating stem cell self-renewal and differentiation processes. However, it is largely unknown how subcellular, spatial mechanical variations in the local extracellular environment mediate intracellular signal transduction and direct cell fate. Here, the effect of spatial distribution, magnitude, and organization of subcellular matrix mechanical properties on human mesenchymal stem cell (hMSCs) function was investigated. Exploiting a photodegradation reaction, a hydrogel cell culture substrate was fabricated with regions of spatially varied and distinct mechanical properties, which were subsequently mapped and quantified by atomic force microscopy (AFM). The variations in the underlying matrix mechanics were found to regulate cellular adhesion and transcriptional events. Highly spread, elongated morphologies and higher Yes-associated protein (YAP) activation were observed in hMSCs seeded on hydrogels with higher concentrations of stiff regions in a dose-dependent manner. However, when the spatial organization of the mechanically stiff regions was altered from a regular to randomized pattern, lower levels of YAP activation with smaller and more rounded cell morphologies were induced in hMSCs. We infer from these results that irregular, disorganized variations in matrix mechanics, compared with regular patterns, appear to disrupt actin organization, and lead to different cell fates; this was verified by observations of lower alkaline phosphatase (ALP) activity and higher expression of CD105, a stem cell marker, in hMSCs in random versus regular patterns of mechanical properties. Collectively, this material platform has allowed innovative experiments to elucidate a novel spatial mechanical dosing mechanism that correlates to both the magnitude and organization of spatial stiffness.

Numerical analysis of the spatial nonuniformity in a Cs-seeded H{sup -} ion source

DOE Office of Scientific and Technical Information (OSTI.GOV)

Takado, N.; Hanatani, J.; Mizuno, T.

The H{sup -} ion production and transport processes are numerically simulated to clarify the origin of H{sup -} beam nonuniformity. The three-dimensional transport code using the Monte Carlo method has been applied to H{sup 0} atoms and H{sup -} ions in the large 'JAERI 10A negative ion source' under the Cs-seeded condition, in which negative ions are dominantly produced by the surface production process. The results show that a large fraction of hydrogen atoms is produced in the region with high electron temperature. This leads to a spatial nonuniformity of H{sup 0} atom flux to the plasma grid and themore » resultant H{sup -} ion surface production. In addition, most surface-produced H{sup -} ions are extracted even through the high T{sub e} region without destruction. These results indicate a correlation between the production process of the H{sup -} ion and the spatial nonuniformity of the H{sup -} ion beam.« less

Proposal for generating synthetic magnetic fields in hexagonal optical lattices

NASA Astrophysics Data System (ADS)

Tian, Binbin; Endres, Manuel; Pekker, David

2015-05-01

We propose a new approach to generating synthetic magnetic fields in ultra cold atom systems that does not rely on either Raman transitions nor periodic drive. Instead, we consider a hexagonal optical lattice produced by the intersection of three laser beams at 120 degree angles, where the intensity of one or more of the beams is spatially non-uniform. The resulting optical lattice remains hexagonal, but has spatially varying hopping matrix elements. For atoms near the Dirac points, these spatial variations appear as a gauge field, similar to the fictitious gauge field that is induced for for electrons in strained graphene. We suggest that a robust way to generate a gauge field that corresponds to a uniform flux is to aligning three gaussian beams to intersect in an equilateral triangle. Using realistic experimental parameters, we show how the proposed setup can be used to observe cyclotron motion of an atom cloud - the conventional Hall effect and distinct Landau levels - the integer quantum Hall effect.

Roots Revealed - Neutron imaging insight of spatial distribution, morphology, growth and function

NASA Astrophysics Data System (ADS)

Warren, J.; Bilheux, H.; Kang, M.; Voisin, S.; Cheng, C.; Horita, J.; Perfect, E.

2013-05-01

Root production, distribution and turnover are not easily measured, yet their dynamics are an essential part of understanding and modeling ecosystem response to changing environmental conditions. Root age, order, morphology and mycorrhizal associations all regulate root uptake of water and nutrients, which along with along with root distribution determines plant response to, and impact on its local environment. Our objectives were to demonstrate the ability to non-invasively monitor fine root distribution, root growth and root functionality in Zea mays L. (maize) and Panicum virgatum L. (switchgrass) seedlings using neutron imaging. Plants were propagated in aluminum chambers containing sand then placed into a high flux cold neutron beam line. Dynamics of root distribution and growth were assessed by collecting consecutive CCD radiographs through time. Root functionality was assessed by tracking individual root uptake of water (H2O) or deuterium oxide (D2O) through time. Since neutrons strongly scatter H atoms, but not D atoms, biological materials such as plants are prime candidates for neutron imaging. 2D and 3D neutron radiography readily illuminated root structure, root growth, and relative plant and soil water content. Fungal hyphae associated with the roots were also visible and appeared as dark masses since their diameter was likely several orders of magnitude less than ~100 μm resolution of the detector. The 2D pulse-chase irrigation experiments with H2O and D2O successfully allowed observation of uptake and mass flow of water within the root system. Water flux within individual roots responded differentially to foliar illumination based on internal water potential gradients, illustrating the ability to track root functionality based on root size, order and distribution within the soil. (L) neutron image of switchgrass growing in sandy soil with 100 μm diameter roots (R) 3D reconstruction of maize seedling following neutron tomography

"Anticlumping" and Other Combinatorial Effects on Clumped Isotopes: Implications for Tracing Biogeochemical Cycling

NASA Astrophysics Data System (ADS)

Yeung, L.

2015-12-01

I present a mode of isotopic ordering that has purely combinatorial origins. It can be important when identical rare isotopes are paired by coincidence (e.g., they are neighbors on the same molecule), or when extrinsic factors govern the isotopic composition of the two atoms that share a chemical bond. By itself, combinatorial isotope pairing yields products with isotopes either randomly distributed or with a deficit relative to a random distribution of isotopes. These systematics arise because of an unconventional coupling between the formation of singly- and multiply-substituted isotopic moieties. In a random distribution, rare isotopes are symmetrically distributed: Single isotopic substitutions (e.g., H‒D and D‒H in H2) occur with equal probability, and double isotopic substitutions (e.g., D2) occur according to random chance. The absence of symmetry in a bond-making complex can yield unequal numbers of singly-substituted molecules (e.g., more H‒D than D‒H in H2), which is recorded in the product molecule as a deficit in doubly-substituted moieties and an "anticlumped" isotope distribution (i.e., Δn < 0). Enzymatic isotope pairing reactions, which can have site-specific isotopic fractionation factors and atom reservoirs, should express this class of combinatorial isotope effect. Chemical-kinetic isotope effects, which are related to the bond-forming transition state, arise independently and express second-order combinatorial effects. In general, both combinatorial and chemical factors are important for calculating and interpreting clumped-isotope signatures of individual reactions. In many reactions relevant to geochemical oxygen, carbon, and nitrogen cycling, combinatorial isotope pairing likely plays a strong role in the clumped isotope distribution of the products. These isotopic signatures, manifest as either directly bound isotope clumps or as features of a molecule's isotopic anatomy, could be exploited as tracers of biogeochemistry that can relate molecular mechanisms to signals observable at environmentally relevant spatial scales.

Optical Measurements of Strong Radio-Frequency Fields Using Rydberg Atoms

NASA Astrophysics Data System (ADS)

Miller, Stephanie Anne

There has recently been an initiative toward establishing atomic measurement standards for field quantities, including radio-frequency, millimeter-wave, and micro-wave electric fields. Current measurement standards are obtained using dipole antennas, which are fundamentally limited in frequency bandwidth (set by the physical size of the antenna) and accuracy (due to the metal perturbing the field during the measurement). Establishing an atomic standard rectifies these problems. My thesis work contributes to an ongoing effort towards establishing the viability of using Rydberg electromagnetically induced transparency (EIT) to perform atom-based measurements of radio-frequency (RF) fields over a wide range of frequencies and field strengths, focusing on strong-field measurements. Rydberg atoms are atoms with an electron excited to a high principal quantum number, resulting in a high sensitivity to an applied field. A model based on Floquet theory is implemented to accurately describe the observed atomic energy level shifts from which information about the field is extracted. Additionally, the effects due to the different electric field domains within the measurement volume are accurately modeled. Absolute atomic measurements of fields up to 296 V/m within a +/-0.35% relative uncertainty are demonstrated. This is the strongest field measured at the time of data publication. Moreover, the uncertainty is over an order of magnitude better than that of current standards. A vacuum chamber setup that I implemented during my graduate studies is presented and its unique components are detailed. In this chamber, cold-atom samples are generated and Rydberg atoms are optically excited within the ground-state sample. The Rydberg ion detection and imaging procedure are discussed, particularly the high magnification that the system provides. By analyzing the position of the ions, the spatial correlation g(2) (r) of Rydberg-atom distributions can be extracted. Aside from ion detection, EIT is implemented in the cold-atom samples. By measuring the timing of the probe photons exiting the EIT medium, the temporal correlation function g(2)(tau) can be extracted, yielding information about the timing between two different arbitrary photons. An experimental goal using this setup is to look at g(2)(tau) in conjunction with g(2)(r) for Rydberg atoms. Progress and preliminary measurements of ion detection and EIT spectra are presented including observed qualitative behaviors.

Insight into the Dzyaloshinskii-Moriya interaction through first-principles study of chiral magnetic structures

NASA Astrophysics Data System (ADS)

Sandratskii, L. M.

2017-07-01

The purpose of the paper is to gain deeper insight into microscopic formation of the Dzyaloshinskii-Moriya interaction (DMI). The paper aims at the development of the physical picture able to address apparently contradicting conclusions of recent studies concerning the location of the DMI energy in the real and reciprocal spaces as well as the relation between values of the atomic moments and the DMI strength. The main tools of our study are the first-principles calculations of the energies of the spiral magnetic states with opposite chiralities. We suggest a method of the calculation of the spiral structures with account for the spin-orbit coupling (SOC). It is based on the application of the generalized Bloch theorem and generalized Bloch functions and allows to reduce the consideration of arbitrary incommensurate spiral to small chemical unit cell. The method neglects the anisotropy in the plane orthogonal to the rotation axis of the spirals that does not influence importantly the DMI energy. For comparison, the supercell calculation with full account for the SOC is performed. The concrete calculations are performed for the Co/Pt bilayer. We consider the distribution of the DMI energy in both real and reciprocal spaces and the dependence of the DMI on the number of electrons. The results of the calculations reveal a number of energy compensations in the formation of the DMI. Thus, the partial atomic contributions as functions of the spiral wave vector q are nonmonotonic and have strongly varying slopes. However, in the total DMI energy these atom-related features compensate each other, resulting in a smooth q dependence. The reason for the peculiar form of the partial DMI contributions is a q -dependent difference in the charge distribution between q and -q spirals. The strongly q -dependent relation between atomic contributions shows that the real-space distribution of the DMI energy obtained for a selected q value cannot be considered as a general characteristic of a given material. Our study shows that it is physically most consistent to consider the electronic hybridization as a primary effect reflecting the nature of the DMI whereas the q -dependent real-space distribution of the DMI energy is a consequence of the complex processes in the electronic structure including the charge transfer process. The physical process of the DMI formation is connected with the difference in the hybridization of the Co and Pt states for q and -q spirals under the influence of the SOC and broken spatial inversion. It depends sensitively on details of the electronic structure. The calculations with constraints on the values of the Co and Pt atomic moments show that there is no direct relation between these atomic quantities and the DMI strength since the details of the electronic structure crucial for the DMI are not reflected in these integral characteristics. The application of the method to the calculation of the magnon energies in systems with DMI is briefly addressed.

Studies for the Loss of Atomic and Molecular Species from Io

NASA Technical Reports Server (NTRS)

Smyth, William H.

1998-01-01

Updated neutral emission rates for electron impact excitation of atomic oxygen and sulfur based upon the Collisional Radiative Equilibrium (COREQ) model have been incorporated in the neutral cloud models. An empirical model for the Io plasma torus wake has also been added in the neutral cloud model to describe important enhancements in the neutral emission rates and lifetime rates in this spatial region. New insights into Io's atmosphere and its interaction with the plasma torus are discussed. These insights are based upon an initial comparison of simultaneous lo observations on October 14, 1997, for [0I] 6300 Angstrom emissions acquired by groundbased facilities and several ultraviolet emissions acquired by HST/STIS in the form of high-spatial- resolution images for atomic oxygen and sulfur.

Global Particle Size Distributions: Measurements during the Atmospheric Tomography (ATom) Project

NASA Astrophysics Data System (ADS)

Brock, C. A.; Williamson, C.; Kupc, A.; Froyd, K. D.; Richardson, M.; Weinzierl, B.; Dollner, M.; Schuh, H.; Erdesz, F.

2016-12-01

The Atmospheric Tomography (ATom) project is a three-year NASA-sponsored program to map the spatial and temporal distribution of greenhouse gases, reactive species, and aerosol particles from the Arctic to the Antarctic. In situ measurements are being made on the NASA DC-8 research aircraft, which will make four global circumnavigations of the Earth over the mid-Pacific and mid-Atlantic Oceans while continuously profiling between 0.2 and 13 km altitude. In situ microphysical measurements will provide an unique and unprecedented dataset of aerosol particle size distributions between 0.004 and 50 µm diameter. This unbiased, representative dataset allows investigation of new particle formation in the remote troposphere, placing strong observational constraints on the chemical and physical mechanisms that govern particle formation and growth to cloud-active sizes. Particles from 0.004 to 0.055 µm are measured with 10 condensation particle counters. Particles with diameters from 0.06 to 1.0 µm are measured with one-second resolution using two ultra-high sensitivity aerosol size spectrometers (UHSASes). A laser aerosol spectrometer (LAS) measures particle size distributions between 0.12 and 10 µm in diameter. Finally, a cloud, aerosol and precipitation spectrometer (CAPS) underwing optical spectrometer probe sizes ambient particles with diameters from 0.5 to 50 µm and images and sizes precipitation-sized particles. Additional particle instruments on the payload include a high-resolution time-of-flight aerosol mass spectrometer and a single particle laser-ablation aerosol mass spectrometer. The instruments are calibrated in the laboratory and on the aircraft. Calibrations are checked in flight by introducing four sizes of polystyrene latex (PSL) microspheres into the sampling inlet. The CAPS probe is calibrated using PSL and glass microspheres that are aspirated into the sample volume. Comparisons between the instruments and checks with the calibration aerosol indicate flight performance within uncertainties expected from laboratory calibrations. Analysis of data from the first ATom circuit in August 2016 shows high concentrations of newly formed particles in the tropical middle and upper troposphere and Arctic lower troposphere.

Imaging mass spectrometry in microbiology

PubMed Central

Watrous, Jeramie D.; Dorrestein, Pieter C.

2013-01-01

Mass spectrometry tools which allow for the 2-D visualization of the distribution of trace metals, metabolites, surface lipids, peptides and proteins directly from biological samples without the need for chemical tagging or antibodies are becoming increasingly useful for microbiology applications. These tools, comprised of different imaging mass spectrometry techniques, are ushering in an exciting new era of discovery by allowing for the generation of chemical hypotheses based on of the spatial mapping of atoms and molecules that can correlate to or transcend observed phenotypes. In this review, we explore the wide range of imaging mass spectrometry techniques available to microbiologists and describe their unique applications to microbiology with respect to the types of microbiology samples to be investigated. PMID:21822293

Immobilization of functional oxide nanoparticles on silicon surfaces via Si-C bonded polymer brushes.

PubMed

Xu, F J; Wuang, S C; Zong, B Y; Kang, E T; Neoh, K G

2006-05-01

A method for immobilizing and mediating the spatial distribution of functional oxide (such as SiO2 and Fe3O4) nanoparticles (NPs) on (100)-oriented single crystal silicon surface, via Si-C bonded poly(3-(trimethoxysilyl)propyl methacrylate) (P(TMSPM)) brushes from surface-initiated atom transfer radical polymerization (ATRP) of (3-(trimethoxysilyl)propyl methacrylate) (TMSPM), was described. The ATRP initiator was covalently immobilized via UV-induced hydrosilylation of 4-vinylbenzyl chloride (VBC) with the hydrogen-terminated Si(100) surface (Si-H surface). The surface-immobilized Fe3O4 NPs retained their superparamagnetic characteristics and their magnetization intensity could be mediated by adjusting the thickness of the P(TMSPM) brushes.

Quantum orbital angular momentum of elliptically symmetric light

NASA Astrophysics Data System (ADS)

Plick, William N.; Krenn, Mario; Fickler, Robert; Ramelow, Sven; Zeilinger, Anton

2013-03-01

We present a quantum-mechanical analysis of the orbital angular momentum of a class of recently discovered elliptically symmetric stable light fields—the so-called Ince-Gauss modes. We study, in a fully quantum formalism, how the orbital angular momentum of these beams varies with their ellipticity, and we discover several compelling features, including nonmonotonic behavior, stable beams with real continuous (noninteger) orbital angular momenta, and orthogonal modes with the same orbital angular momenta. We explore, and explain in detail, the reasons for this behavior. These features may have applications in quantum key distribution, atom trapping, and quantum informatics in general—as the ellipticity opens up an alternative way of navigating the spatial photonic Hilbert space.

VISIONS: Remote Observations of a Spatially-Structured Filamentary Source of Energetic Neutral Atoms near the Polar Cap Boundary During an Auroral Substorm

NASA Technical Reports Server (NTRS)

Collier, Michael R.; Chornay, D.; Clemmons, J.; Keller, J. W.; Klenzing, J.; Kujawski, J.; McLain, J.; Pfaff, R.; Rowland, D.; Zettergren, M.

2015-01-01

We report initial results from the VISualizing Ion Outflow via Neutral atom imaging during a Substorm (VISIONS) rocket that flew through and near several regions of enhanced auroral activity and also sensed regions of ion outflow both remotely and directly. The observed neutral atom fluxes were largest at the lower energies and generally higher in the auroral zone than in the polar cap. In this paper, we focus on data from the latter half of the VISIONS trajectory when the rocket traversed the polar cap region. During this period, many of the energetic neutral atom spectra show a peak at 100 electronvolts. Spectra with peaks around 100 electronvolts are also observed in the Electrostatic Ion Analyzer (EIA) data consistent with these ions comprising the source population for the energetic neutral atoms. The EIA observations of this low energy population extend only over a few tens of kilometers. Furthermore, the directionality of the arriving energetic neutral atoms is consistent with either this spatially localized source of energetic ions extending from as low as about 300 kilometers up to above 600 kilometers or a larger source of energetic ions to the southwest.

Spatially and temporally resolved measurements of a dense copper plasma heated by intense relativistic electrons

NASA Astrophysics Data System (ADS)

Coleman, J. E.; Colgan, J.

2017-08-01

A 100-μm-thick Cu foil is isochorically heated by a ˜100-ns-long electron bunch with an energy of 19.8 MeV and current of 1.7 kA to Te > 1 eV. After 100 ns of heating and 20 ns of expansion, the plasma exhibits a stable, quiescent temperature and density distribution for >200 ns. Several intense Cu-I emission lines are observed after ˜20 J of electron beam energy is deposited. These lines have well known Stark widths providing a direct measurement of ne. The Los Alamos ATOMIC code [Magee et al., AIP Conf. Proc. 2004, 168-179 and Hakel et al., J. Quant. Spectrosc. Radiat. Transfer 99, 265 (2006)] was run in local-thermodynamic-equilibrium mode to estimate Te and ne. Spatially and temporally resolved measurements are presented in both the vertical and horizontal directions adjacent to the foil indicating temperatures >1 eV and densities ranging from 1-3 × 1017 cm-3 after expansion and cooling.

Diffractive imaging of a rotational wavepacket in nitrogen molecules with femtosecond megaelectronvolt electron pulses

DOE PAGES

Yang, Jie; Guehr, Markus; Vecchione, Theodore; ...

2016-04-05

Imaging changes in molecular geometries on their natural femtosecond timescale with sub-Angström spatial precision is one of the critical challenges in the chemical sciences, as the nuclear geometry changes determine the molecular reactivity. For photoexcited molecules, the nuclear dynamics determine the photoenergy conversion path and efficiency. Here we report a gas-phase electron diffraction experiment using megaelectronvolt (MeV) electrons, where we captured the rotational wavepacket dynamics of nonadiabatically laser-aligned nitrogen molecules. We achieved a combination of 100 fs root-mean-squared temporal resolution and sub-Angstrom (0.76 Å) spatial resolution that makes it possible to resolve the position of the nuclei within the molecule.more » In addition, the diffraction patterns reveal the angular distribution of the molecules, which changes from prolate (aligned) to oblate (anti-aligned) in 300 fs. Lastly, our results demonstrate a significant and promising step towards making atomically resolved movies of molecular reactions.« less

Visualizing chemical functionality in plant cell walls

DOE PAGES

Zeng, Yining; Himmel, Michael E.; Ding, Shi-You

2017-11-30

Understanding plant cell wall cross-linking chemistry and polymeric architecture is key to the efficient utilization of biomass in all prospects from rational genetic modification to downstream chemical and biological conversion to produce fuels and value chemicals. In fact, the bulk properties of cell wall recalcitrance are collectively determined by its chemical features over a wide range of length scales from tissue, cellular to polymeric architectures. Microscopic visualization of cell walls from the nanometer to the micrometer scale offers an in situ approach to study their chemical functionality considering its spatial and chemical complexity, particularly the capabilities of characterizing biomass non-destructivelymore » and in real-time during conversion processes. Microscopic characterization has revealed heterogeneity in the distribution of chemical features, which would otherwise be hidden in bulk analysis. Key microscopic features include cell wall type, wall layering, and wall composition - especially cellulose and lignin distributions. Microscopic tools, such as atomic force microscopy, stimulated Raman scattering microscopy, and fluorescence microscopy, have been applied to investigations of cell wall structure and chemistry from the native wall to wall treated by thermal chemical pretreatment and enzymatic hydrolysis. While advancing our current understanding of plant cell wall recalcitrance and deconstruction, microscopic tools with improved spatial resolution will steadily enhance our fundamental understanding of cell wall function.« less

Visualizing chemical functionality in plant cell walls

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zeng, Yining; Himmel, Michael E.; Ding, Shi-You

Understanding plant cell wall cross-linking chemistry and polymeric architecture is key to the efficient utilization of biomass in all prospects from rational genetic modification to downstream chemical and biological conversion to produce fuels and value chemicals. In fact, the bulk properties of cell wall recalcitrance are collectively determined by its chemical features over a wide range of length scales from tissue, cellular to polymeric architectures. Microscopic visualization of cell walls from the nanometer to the micrometer scale offers an in situ approach to study their chemical functionality considering its spatial and chemical complexity, particularly the capabilities of characterizing biomass non-destructivelymore » and in real-time during conversion processes. Microscopic characterization has revealed heterogeneity in the distribution of chemical features, which would otherwise be hidden in bulk analysis. Key microscopic features include cell wall type, wall layering, and wall composition - especially cellulose and lignin distributions. Microscopic tools, such as atomic force microscopy, stimulated Raman scattering microscopy, and fluorescence microscopy, have been applied to investigations of cell wall structure and chemistry from the native wall to wall treated by thermal chemical pretreatment and enzymatic hydrolysis. While advancing our current understanding of plant cell wall recalcitrance and deconstruction, microscopic tools with improved spatial resolution will steadily enhance our fundamental understanding of cell wall function.« less

Visualizing chemical functionality in plant cell walls.

PubMed

Zeng, Yining; Himmel, Michael E; Ding, Shi-You

2017-01-01

Understanding plant cell wall cross-linking chemistry and polymeric architecture is key to the efficient utilization of biomass in all prospects from rational genetic modification to downstream chemical and biological conversion to produce fuels and value chemicals. In fact, the bulk properties of cell wall recalcitrance are collectively determined by its chemical features over a wide range of length scales from tissue, cellular to polymeric architectures. Microscopic visualization of cell walls from the nanometer to the micrometer scale offers an in situ approach to study their chemical functionality considering its spatial and chemical complexity, particularly the capabilities of characterizing biomass non-destructively and in real-time during conversion processes. Microscopic characterization has revealed heterogeneity in the distribution of chemical features, which would otherwise be hidden in bulk analysis. Key microscopic features include cell wall type, wall layering, and wall composition-especially cellulose and lignin distributions. Microscopic tools, such as atomic force microscopy, stimulated Raman scattering microscopy, and fluorescence microscopy, have been applied to investigations of cell wall structure and chemistry from the native wall to wall treated by thermal chemical pretreatment and enzymatic hydrolysis. While advancing our current understanding of plant cell wall recalcitrance and deconstruction, microscopic tools with improved spatial resolution will steadily enhance our fundamental understanding of cell wall function.

Spatially Resolved Sensitivity of Single-Particle Plasmon Sensors

PubMed Central

2018-01-01

The high sensitivity of localized surface plasmon resonance sensors to the local refractive index allows for the detection of single-molecule binding events. Though binding events of single objects can be detected by their induced plasmon shift, the broad distribution of observed shifts remains poorly understood. Here, we perform a single-particle study wherein single nanospheres bind to a gold nanorod, and relate the observed plasmon shift to the binding location using correlative microscopy. To achieve this we combine atomic force microscopy to determine the binding location, and single-particle spectroscopy to determine the corresponding plasmon shift. As expected, we find a larger plasmon shift for nanospheres binding at the tip of a rod compared to its sides, in good agreement with numerical calculations. However, we also find a broad distribution of shifts even for spheres that were bound at a similar location to the nanorod. Our correlative approach allows us to disentangle effects of nanoparticle dimensions and binding location, and by comparison to numerical calculations we find that the biggest contributor to this observed spread is the dispersion in nanosphere diameter. These experiments provide insight into the spatial sensitivity and signal-heterogeneity of single-particle plasmon sensors and provides a framework for signal interpretation in sensing applications. PMID:29520315

Heat Transfer of Confined Impinging Air-water Mist Jet

NASA Astrophysics Data System (ADS)

Chang, Shyy Woei; Su, Lo May

This paper describes the detailed heat transfer distributions of an atomized air-water mist jet impinging orthogonally onto a confined target plate with various water-to-air mass-flow ratios. A transient technique was used to measure the full field heat transfer coefficients of the impinging surface. Results showed that the high momentum mist-jet interacting with the water-film and wall-jet flows created a variety of heat transfer contours on the impinging surface. The trade-off between the competing influences of the different heat transfer mechanisms involving in an impinging mist jet made the nonlinear variation tendency of overall heat transfer against the increase of water-to-air mass-flow ratio and extended the effective cooling region. With separation distances of 10, 8, 6 and 4 jet-diameters, the spatially averaged heat transfer values on the target plate could respectively reach about 2.01, 1.83, 2.43 and 2.12 times of the equivalent air-jet values, which confirmed the applicability of impinging mist-jet for heat transfer enhancement. The optimal choices of water-to-air mass-flow ratio for the atomized mist jet required the considerations of interactive and combined effects of separation distance, air-jet Reynolds number and the water-to-air mass-flow ratio into the atomized nozzle.

Discovery of Molecular and Atomic Clouds Associated with the Magellanic Superbubble 30 Doradus C

NASA Astrophysics Data System (ADS)

Sano, H.; Yamane, Y.; Voisin, F.; Fujii, K.; Yoshiike, S.; Inaba, T.; Tsuge, K.; Babazaki, Y.; Mitsuishi, I.; Yang, R.; Aharonian, F.; Rowell, G.; Filipović, M. D.; Mizuno, N.; Tachihara, K.; Kawamura, A.; Onishi, T.; Fukui, Y.

2017-07-01

We analyzed the 2.6 mm CO and 21 cm H I lines toward the Magellanic superbubble 30 Doradus C, in order to reveal the associated molecular and atomic gas. We uncovered five molecular clouds in a velocity range from 251 to 276 km s-1 toward the western shell. The non-thermal X-rays are clearly enhanced around the molecular clouds on a parsec scale, suggesting possible evidence for magnetic field amplification via shock-cloud interaction. The thermal X-rays are brighter in the eastern shell, where there are no dense molecular or atomic clouds, opposite to the western shell. The TeV γ-ray distribution may spatially match the total interstellar proton column density as well as the non-thermal X-rays. If the hadronic γ-ray is dominant, the total energy of the cosmic-ray protons is at least ˜ 1.2× {10}50 erg with the estimated mean interstellar proton density ˜60 cm-3. In addition, the γ-ray flux associated with the molecular cloud (e.g., MC3) could be detected and resolved by the Cherenkov Telescope Array (CTA). This should permit CTA to probe the diffusion of cosmic-rays into the associated dense ISM.

Spatial clustering of toxic trace elements in adolescents around the Torreón, Mexico lead-zinc smelter.

PubMed

Garcia-Vargas, Gonzalo G; Rothenberg, Stephen J; Silbergeld, Ellen K; Weaver, Virginia; Zamoiski, Rachel; Resnick, Carol; Rubio-Andrade, Marisela; Parsons, Patrick J; Steuerwald, Amy J; Navas-Acién, Ana; Guallar, Eliseo

2014-11-01

High blood lead (BPb) levels in children and elevated soil and dust arsenic, cadmium, and lead were previously found in Torreón, northern Mexico, host to the world's fourth largest lead-zinc metal smelter. The objectives of this study were to determine spatial distributions of adolescents with higher BPb and creatinine-corrected urine total arsenic, cadmium, molybdenum, thallium, and uranium around the smelter. Cross-sectional study of 512 male and female subjects 12-15 years of age was conducted. We measured BPb by graphite furnace atomic absorption spectrometry and urine trace elements by inductively coupled plasma-mass spectrometry, with dynamic reaction cell mode for arsenic. We constructed multiple regression models including sociodemographic variables and adjusted for subject residence spatial correlation with spatial lag or error terms. We applied local indicators of spatial association statistics to model residuals to identify hot spots of significant spatial clusters of subjects with higher trace elements. We found spatial clusters of subjects with elevated BPb (range 3.6-14.7 μg/dl) and urine cadmium (0.18-1.14 μg/g creatinine) adjacent to and downwind of the smelter and elevated urine thallium (0.28-0.93 μg/g creatinine) and uranium (0.07-0.13 μg/g creatinine) near ore transport routes, former waste, and industrial discharge sites. The conclusion derived from this study was that spatial clustering of adolescents with high BPb and urine cadmium adjacent to and downwind of the smelter and residual waste pile, areas identified over a decade ago with high lead and cadmium in soil and dust, suggests that past and/or present plant operations continue to present health risks to children in those neighborhoods.

Spatial clustering of toxic trace elements in adolescents around the Torreón, Mexico lead–zinc smelter

PubMed Central

Garcia-Vargas, Gonzalo G.; Rothenberg, Stephen J.; Silbergeld, Ellen K.; Weaver, Virginia; Zamoiski, Rachel; Resnick, Carol; Rubio-Andrade, Marisela; Parsons, Patrick J.; Steuerwald, Amy J.; Navas-Acién, Ana; Guallar, Eliseo

2016-01-01

High blood lead (BPb) levels in children and elevated soil and dust arsenic, cadmium, and lead were previously found in Torreón, northern Mexico, host to the world’s fourth largest lead–zinc metal smelter. The objectives of this study were to determine spatial distributions of adolescents with higher BPb and creatinine-corrected urine total arsenic, cadmium, molybdenum, thallium, and uranium around the smelter. Cross-sectional study of 512 male and female subjects 12–15 years of age was conducted. We measured BPb by graphite furnace atomic absorption spectrometry and urine trace elements by inductively coupled plasma-mass spectrometry, with dynamic reaction cell mode for arsenic. We constructed multiple regression models including sociodemographic variables and adjusted for subject residence spatial correlation with spatial lag or error terms. We applied local indicators of spatial association statistics to model residuals to identify hot spots of significant spatial clusters of subjects with higher trace elements. We found spatial clusters of subjects with elevated BPb (range 3.6–14.7 µg/dl) and urine cadmium (0.18–1.14 µg/g creatinine) adjacent to and downwind of the smelter and elevated urine thallium (0.28–0.93 µg/g creatinine) and uranium (0.07–0.13 µg/g creatinine) near ore transport routes, former waste, and industrial discharge sites. The conclusion derived from this study was that spatial clustering of adolescents with high BPb and urine cadmium adjacent to and downwind of the smelter and residual waste pile, areas identified over a decade ago with high lead and cadmium in soil and dust, suggests that past and/or present plant operations continue to present health risks to children in those neighborhoods. PMID:24549228

The distribution of meteoric Cl-36 in precipitation across Europe in spring 2007

NASA Astrophysics Data System (ADS)

Johnston, Vanessa E.; McDermott, Frank

2008-10-01

The cosmogenic isotope 36Cl is a valuable tool for understanding many Earth system processes, but an improved knowledge of its spatial distribution at the Earth's surface is critical for several applications. Meteoric 36Cl fallout reflects complex interactions between atmospheric production, transport, and deposition processes, and predictive models require experimental validation. This study investigates, for the first time in a systematic way, the spatial distribution of meteoric 36Cl on a continental scale within the European landmass using precipitation samples collected during spring 2007. 36Cl/Cl ratios increase with distance inland and the new data exhibit a strong exponential relationship with δ18O values of precipitation ( RS = - 0.75), yielding a useful predictive framework for future studies. Precipitation events in central European regions are characterised by high 36Cl/Cl ratios, with a maximum measured in Lyon, France of 746 (± 134) × 10 - 15 . The new data confirm models for the dependence of 36Cl fallout on latitude, with the highest mean springtime fallout (53.6 atoms m - 2 s - 1 ) occurring in the 40-50°N latitudinal band, with sharp decreases in fallout in high latitude regions and more gradual decreases towards the lower latitudes. The 36Cl bomb pulse, introduced by thermonuclear weapon testing, predominantly in the 1950's, has persisted in the environment for c. 50 years, but the new data indicate that 36Cl fallout has now essentially returned to natural, pre-bomb values.

Spatial distribution of the RF power absorbed in a helicon plasma source

NASA Astrophysics Data System (ADS)

Aleksenko, O. V.; Miroshnichenko, V. I.; Mordik, S. N.

2014-08-01

The spatial distributions of the RF power absorbed by plasma electrons in an ion source operating in the helicon mode (ω ci < ω < ω ce < ω pe ) are studied numerically by using a simplified model of an RF plasma source in an external uniform magnetic field. The parameters of the source used in numerical simulations are determined by the necessity of the simultaneous excitation of two types of waves, helicons and Trivelpiece-Gould modes, for which the corresponding transparency diagrams are used. The numerical simulations are carried out for two values of the working gas (helium) pressure and two values of the discharge chamber length under the assumption that symmetric modes are excited. The parameters of the source correspond to those of the injector of the nuclear scanning microprobe operating at the Institute of Applied Physics, National Academy of Sciences of Ukraine. It is assumed that the mechanism of RF power absorption is based on the acceleration of plasma electrons in the field of a Trivelpiece-Gould mode, which is interrupted by pair collisions of plasma electrons with neutral atoms and ions of the working gas. The simulation results show that the total absorbed RF power at a fixed plasma density depends in a resonant manner on the magnetic field. The resonance is found to become smoother with increasing working gas pressure. The distributions of the absorbed RF power in the discharge chamber are presented. The achievable density of the extracted current is estimated using the Bohm criterion.

Entanglement between atomic thermal states and coherent or squeezed photons in a damping cavity

NASA Astrophysics Data System (ADS)

Yadollahi, F.; Safaiee, R.; Golshan, M. M.

2018-02-01

In the present study, the standard Jaynes-Cummings model, in a lossy cavity, is employed to characterize the entanglement between atoms and photons when the former is initially in a thermal state (mixed ensemble) while the latter is described by either coherent or squeezed distributions. The whole system is thus assumed to be in equilibrium with a heat reservoir at a finite temperature T, and the measure of negativity is used to determine the time evolution of atom-photon entanglement. To this end, the master equation for the density matrix, in the secular approximation, is solved and a partial transposition of the result is made. The degree of atom-photon entanglement is then numerically computed, through the negativity, as a function of time and temperature. To justify the behavior of atom-photon entanglement, moreover, we employ the so obtained total density matrix to compute and analyze the time evolution of the initial photonic coherent or squeezed probability distributions and the squeezing parameters. On more practical points, our results demonstrate that as the initial photon mean number increases, the atom-photon entanglement decays at a faster pace for the coherent distribution compared to the squeezed one. Moreover, it is shown that the degree of atom-photon entanglement is much higher and more stable for the squeezed distribution than that for the coherent one. Consequently, we conclude that the time intervals during which the atom-photon entanglement is distillable is longer for the squeezed distribution. It is also illustrated that as the temperature increases the rate of approaching separability is faster for the coherent initial distribution. The novel point of the present report is the calculation of dynamical density matrix (containing all physical information) for the combined system of atom-photon in a lossy cavity, as well as the corresponding negativity, at a finite temperature.

Experimental observation of spatial quantum noise reduction below the standard quantum limit with bright twin beams of light

NASA Astrophysics Data System (ADS)

Kumar, Ashok; Nunley, Hayden; Marino, Alberto

2016-05-01

Quantum noise reduction (QNR) below the standard quantum limit (SQL) has been a subject of interest for the past two to three decades due to its wide range of applications in quantum metrology and quantum information processing. To date, most of the attention has focused on the study of QNR in the temporal domain. However, many areas in quantum optics, specifically in quantum imaging, could benefit from QNR not only in the temporal domain but also in the spatial domain. With the use of a high quantum efficiency electron multiplier charge coupled device (EMCCD) camera, we have observed spatial QNR below the SQL in bright narrowband twin light beams generated through a four-wave mixing (FWM) process in hot rubidium atoms. Owing to momentum conservation in this process, the twin beams are momentum correlated. This leads to spatial quantum correlations and spatial QNR. Our preliminary results show a spatial QNR of over 2 dB with respect to the SQL. Unlike previous results on spatial QNR with faint and broadband photon pairs from parametric down conversion (PDC), we demonstrate spatial QNR with spectrally and spatially narrowband bright light beams. The results obtained will be useful for atom light interaction based quantum protocols and quantum imaging. Work supported by the W.M. Keck Foundation.

Quantum-mechanical elaboration for the description of low- and high-order harmonics generated by extended gas media: prospects to the efficiency enhancement in spatially modulated media

NASA Astrophysics Data System (ADS)

Stremoukhov, Sergey Yu; Andreev, Anatoly V.

2018-03-01

A simple model fully matching the description of the low- and high-order harmonic generation in extended media interacting with multicolor laser fields is proposed. The extended atomic media is modeled by a 1D chain of atoms, the number of atoms and the distance between them depend on the pressure of the gas and the length of the gas cell. The response of the individual atoms is calculated accurately in the frame of the non-perturbative theory where the driving field for each atom is calculated with account of dispersion properties of any multicolor field component. In spite of the simplicity of the proposed model it provides the detailed description of behaviour of harmonic spectra under variation of the gas pressure and medium length, it also predicts a scaling law for harmonic generation (an invariant). To demonstrate the wide range of applications of the model we have simulated the results of recent experiments dealing with spatially modulated media and obtained good coincidence between the numerical results and the experimental ones.

Reply to ``Comment on `Quantum time-of-flight distribution for cold trapped atoms' ''

NASA Astrophysics Data System (ADS)

Ali, Md. Manirul; Home, Dipankar; Majumdar, A. S.; Pan, Alok K.

2008-02-01

In their comment Gomes [Phys. Rev. A 77, 026101 (2008)] have questioned the possibility of empirically testable differences existing between the semiclassical time of flight distribution for cold trapped atoms and a quantum distribution discussed by us recently [Ali , Phys. Rev. A 75, 042110 (2007).]. We argue that their criticism is based on a semiclassical treatment having restricted applicability for a particular trapping potential. Their claim does not preclude, in general, the possibility of differences between the semiclassical calculations and fully quantum results for the arrival time distribution of freely falling atoms.

Reply to 'Comment on 'Quantum time-of-flight distribution for cold trapped atoms''

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ali, Md. Manirul; Home, Dipankar; Pan, Alok K.

2008-02-15

In their comment Gomes et al. [Phys. Rev. A 77, 026101 (2008)] have questioned the possibility of empirically testable differences existing between the semiclassical time of flight distribution for cold trapped atoms and a quantum distribution discussed by us recently [Ali et al., Phys. Rev. A 75, 042110 (2007).]. We argue that their criticism is based on a semiclassical treatment having restricted applicability for a particular trapping potential. Their claim does not preclude, in general, the possibility of differences between the semiclassical calculations and fully quantum results for the arrival time distribution of freely falling atoms.

Fast CNOT gate between two spatially separated atoms via shortcuts to adiabatic passage.

PubMed

Liang, Yan; Song, Chong; Ji, Xin; Zhang, Shou

2015-09-07

Quantum logic gate is indispensable to quantum computation. One of the important qubit operations is the quantum controlled-not (CNOT) gate that performs a NOT operation on a target qubit depending on the state of the control qubit. In this paper we present a scheme to realize the quantum CNOT gate between two spatially separated atoms via shortcuts to adiabatic passage. The influence of various decoherence processes on the fidelity is discussed. The strict numerical simulation results show that the fidelity for the CNOT gate is relatively high.

Imaging Spatial Correlations of Rydberg Excitations in Cold Atom Clouds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schwarzkopf, A.; Sapiro, R. E.; Raithel, G.

2011-09-02

We use direct spatial imaging of cold {sup 85}Rb Rydberg atom clouds to measure the Rydberg-Rydberg correlation function. The results are in qualitative agreement with theoretical predictions [F. Robicheaux and J. V. Hernandez, Phys. Rev. A 72, 063403 (2005)]. We determine the blockade radius for states 44D{sub 5/2}, 60D{sub 5/2}, and 70D{sub 5/2} and investigate the dependence of the correlation behavior on excitation conditions and detection delay. Experimental data hint at the existence of long-range order.

Self-consistent average-atom scheme for electronic structure of hot and dense plasmas of mixture.

PubMed

Yuan, Jianmin

2002-10-01

An average-atom model is proposed to treat the electronic structures of hot and dense plasmas of mixture. It is assumed that the electron density consists of two parts. The first one is a uniform distribution with a constant value, which is equal to the electron density at the boundaries between the atoms. The second one is the total electron density minus the first constant distribution. The volume of each kind of atom is proportional to the sum of the charges of the second electron part and of the nucleus within each atomic sphere. By this way, one can make sure that electrical neutrality is satisfied within each atomic sphere. Because the integration of the electron charge within each atom needs the size of that atom in advance, the calculation is carried out in a usual self-consistent way. The occupation numbers of electron on the orbitals of each kind of atom are determined by the Fermi-Dirac distribution with the same chemical potential for all kinds of atoms. The wave functions and the orbital energies are calculated with the Dirac-Slater equations. As examples, the electronic structures of the mixture of Au and Cd, water (H2O), and CO2 at a few temperatures and densities are presented.

Ionization equilibrium at the transition from valence-band to acceptor-band migration of holes in boron-doped diamond

NASA Astrophysics Data System (ADS)

Poklonski, N. A.; Vyrko, S. A.; Poklonskaya, O. N.; Kovalev, A. I.; Zabrodskii, A. G.

2016-06-01

A quasi-classical model of ionization equilibrium in the p-type diamond between hydrogen-like acceptors (boron atoms which substitute carbon atoms in the crystal lattice) and holes in the valence band (v-band) is proposed. The model is applicable on the insulator side of the insulator-metal concentration phase transition (Mott transition) in p-Dia:B crystals. The densities of the spatial distributions of impurity atoms (acceptors and donors) and of holes in the crystal are considered to be Poissonian, and the fluctuations of their electrostatic potential energy are considered to be Gaussian. The model accounts for the decrease in thermal ionization energy of boron atoms with increasing concentration, as well as for electrostatic fluctuations due to the Coulomb interaction limited to two nearest point charges (impurity ions and holes). The mobility edge of holes in the v-band is assumed to be equal to the sum of the threshold energy for diffusion percolation and the exchange energy of the holes. On the basis of the virial theorem, the temperature Tj is determined, in the vicinity of which the dc band-like conductivity of holes in the v-band is approximately equal to the hopping conductivity of holes via the boron atoms. For compensation ratio (hydrogen-like donor to acceptor concentration ratio) K ≈ 0.15 and temperature Tj, the concentration of "free" holes in the v-band and their jumping (turbulent) drift mobility are calculated. Dependence of the differential energy of thermal ionization of boron atoms (at the temperature 3Tj/2) as a function of their concentration N is calculated. The estimates of the extrapolated into the temperature region close to Tj hopping drift mobility of holes hopping from the boron atoms in the charge states (0) to the boron atoms in the charge states (-1) are given. Calculations based on the model show good agreement with electrical conductivity and Hall effect measurements for p-type diamond with boron atom concentrations in the range from 3 × 1017 to 3 × 1020 cm-3, i.e., up to the Mott transition. The model uses no fitting parameters.

The Atmospheric Tomography Mission (ATom): Comparing the Chemical Climatology of Reactive Species and Air Parcels from Measurements and Global Models

NASA Astrophysics Data System (ADS)

Prather, M. J.; Flynn, C.; Wennberg, P. O.; Kim, M. J.; Ryerson, T. B.; Hanisco, T. F.; Diskin, G. S.; Daube, B. C.; Commane, R.; McKain, K.; Apel, E. C.; Blake, N. J.; Blake, D. R.; Elkins, J. W.; Hall, S.; Steenrod, S.; Strahan, S. E.; Lamarque, J. F.; Fiore, A. M.; Horowitz, L. W.; Murray, L. T.; Mao, J.; Shindell, D. T.; Wofsy, S. C.

2017-12-01

The NASA Atmospheric Tomography Mission (ATom) is building a photochemical climatology of the remote troposphere based on objective sampling and profiling transects over the Pacific and Atlantic Oceans. These statistics provide direct tests of chemistry-climate models. The choice of species focuses on those controlling primary reactivity (a.k.a. oxidative state) of the troposphere, specifically chemical tendencies of O3 and CH4. These key species include, inter alia, O3, CH4, CO, C2H6, other alkanes, alkenes, aromatics, NOx, HNO3, HO2NO2, PAN, other organic nitrates, H2O, HCHO, H2O2, CH3OOH. Three of the four ATom deployments are now complete, and data from the first two (ATom-1 & -2) have been released as of this talk (see espoarchive.nasa.gov/archive/browse/atom). The statistical distributions of key species are presented as 1D and 2D probability densities (PDs) and we focus here on the tropical and mid-latitude regions of the Pacific during ATom-1 (Aug) and -2 (Feb). PDs are computed from ATom observations and 6 global chemistry models over the tropospheric depth (0-12 km) and longitudinal extent of the observations. All data are weighted to achieve equal mass-weighting by latitude regimes to account for spatial sampling biases. The models are used to calculate the reactivity in each ATom air parcel. Reweighting parcels with loss of CH4 or production of O3, for example, allows us to identify which air parcels are most influential, including assessment of the importance of fine pollution layers in the most remote troposphere. Another photochemical climatology developed from ATom, and used to test models, includes the effect of clouds on photolysis rates. The PDs and reactivity-weighted PDs reveal important seasonal differences and similarities between the two campaigns and also show which species may be most important in controlling reactivities. They clearly identify some very specific failings in the modeled climatologies and help us evaluate the chemical importance of fine-scale laminae with distinct chemical composition that are beyond model simulations.

Correlating the optical properties of WS2 monolayers grown by CVD with isoelectronic Mo doping level(Conference Presentation)

NASA Astrophysics Data System (ADS)

Wang, Kai; Cross, Nick; Boulesbaa, Abdelaziz; Pudasaini, Pushpa R.; Tian, Mengkun; Mahjouri-Samani, Masoud; Oxley, Mark P.; Rouleau, Christopher M.; Puretzky, Alexander A.; Rack, Philip D.; Xiao, Kai; Yoon, Mina; Eres, Gyula; Duscher, Gerd; Geohegan, David B.

2017-02-01

Incorporating dopants in monolayer transition metal dichalcogenides (TMD) can enable manipulations of their electrical and optical properties. Previous attempts in amphoteric doping in monolayer TMDs have proven to be challenging. Here we report the incorporation of molybdenum (Mo) atoms in monolayer WS2 during growth by chemical vapor deposition, and correlate the distribution of Mo atoms with the optical properties including photoluminescence and ultrafast transient absorption dynamics. Dark field scanning transmission electron microscopy imaging quantified the isoelectronic doping of Mo in WS2 and revealed its gradual distribution along a triangular WS2 monolayer crystal, increasing from 0% at the edge to 2% in the center of the triangular WS2 triangular crystals. This agrees well with the Raman spectra data that showed two obvious modes between 360 cm-1 and 400 cm-1 that corresponded to MoS2 in the center. This in-plane gradual distribution of Mo in WS2 was found to account for the spatial variations in photoluminescence intensity and emission energy. Transition absorption spectroscopy further indicated that the incorporation of Mo in WS2 regulate the amplitude ratio of XA and XB of WS2. The effect of Mo incorporation on the electronic structure of WS2 was further elucidated by density functional theory. Finally, we compared the electrical properties of Mo incorporated and pristine WS2 monolayers by fabricating field-effect transistors. The isoelectronic doping of Mo in WS2 provides an alternative approach to engineer the bandgap and also enriches our understanding the influence of the doping on the excitonic dynamics.

Numerical Prediction of the Influence of Process Parameters on Large Area Diamond Deposition by DC Arcjet with ARC Roots Rotating and Operating at Gas Recycling Mode

NASA Astrophysics Data System (ADS)

Lu, F. X.; Huang, T. B.; Tang, W. Z.; Song, J. H.; Tong, Y. M.

A computer model have been set up for simulation of the flow and temperature field, and the radial distribution of atomic hydrogen and active carbonaceous species over a large area substrate surface for a new type dc arc plasma torch with rotating arc roots and operating at gas recycling mode A gas recycling radio of 90% was assumed. In numerical calculation of plasma chemistry, the Thermal-Calc program and a powerful thermodynamic database were employed. Numerical calculations to the computer model were performed using boundary conditions close to the experimental setup for large area diamond films deposition. The results showed that the flow and temperature field over substrate surface of Φ60-100mm were smooth and uniform. Calculations were also made with plasma of the same geometry but no arc roots rotation. It was clearly demonstrated that the design of rotating arc roots was advantageous for high quality uniform deposition of large area diamond films. Theoretical predictions on growth rate and film quality as well as their radial uniformity, and the influence of process parameters on large area diamond deposition were discussed in detail based on the spatial distribution of atomic hydrogen and the carbonaceous species in the plasma over the substrate surface obtained from thermodynamic calculations of plasma chemistry, and were compared with experimental observations.

Emirates Mars Ultraviolet Spectrometer (EMUS) Overview from the Emirates Mars Mission

NASA Astrophysics Data System (ADS)

Lootah, F. H.; Almatroushi, H. R.; AlMheiri, S.; Holsclaw, G.; Deighan, J.; Chaffin, M.; Reed, H.; Lillis, R. J.; Fillingim, M. O.; England, S.

2017-12-01

The Emirates Mars Ultraviolet Spectrometer (EMUS) instrument is one of three science instruments on board the "Hope Probe" of the Emirates Mars Mission (EMM). EMM is a United Arab Emirates' (UAE) mission to Mars, launching in 2020, to explore the global dynamics of the Martian atmosphere, while sampling on both diurnal and seasonal timescales. The EMUS instrument is a far-ultraviolet imaging spectrograph that measures emissions in the spectral range 100-170 nm. Using a combination of its one-dimensional imaging and spacecraft motion, it will build up two-dimensional far-ultraviolet images of the Martian disk and near-space environment at several important wavelengths: the Lyman beta atomic hydrogen emission (102.6 nm), the Lyman alpha atomic hydrogen emission (121.6 nm), two atomic oxygen emissions (130.4 nm and 135.6 nm), and the carbon monoxide fourth positive group band emission (140 nm-170 nm). Radiances at these wavelengths will be used to derive the column abundance of atomic oxygen, and carbon monoxide in the Martian thermosphere, and the density of atomic oxygen and atomic hydrogen in the Martian exosphere both with spatial and sub-seasonal variability. The EMUS instrument consists of a single telescope mirror feeding a Rowland circle imaging spectrograph with selectable spectral resolution (1.3 nm, 1.8 nm, or 5 nm), and a photon-counting and locating detector (provided by the Space Sciences Laboratory at the University of California, Berkeley). The EMUS spatial resolution of less than 300 km on the disk is sufficient to characterize spatial variability in the Martian thermosphere (100-200 km altitude) and exosphere (>200 km altitude). The instrument is jointly developed by the Laboratory for Atmospheric and Space Physics (LASP) at the University of Colorado Boulder and Mohammed Bin Rashid Space Centre (MBRSC) in Dubai, UAE.

Emirates Mars Ultraviolet Spectrometer (EMUS) Overview from the Emirates Mars Mission

NASA Astrophysics Data System (ADS)

Almatroushi, Hessa; Lootah, Fatma; Holsclaw, Greg; Deighan, Justin; Chaffin, Michael; Lillis, Robert; Fillingim, Matthew; England, Scott; AlMheiri, Suhail; Reed, Heather

2017-04-01

The Emirates Mars Ultraviolet Spectrometer (EMUS) instrument is one of three science instruments to be carried on board the Emirate Mars Mission (EMM), the "Hope Probe". EMM is a United Arab Emirates' (UAE) mission to Mars launching in 2020 to explore the dynamics in the Martian atmosphere globally, while sampling on both diurnal and seasonal timescales. The EMUS instrument is a far-ultraviolet imaging spectrograph that measures emissions in the spectral range 100-170 nm. Using spacecraft motion, it will build up two-dimensional far-ultraviolet images of the Martian disk and near-space environment at several important wavelengths: Lyman beta atomic hydrogen emission (102.6 nm), Lyman alpha atomic hydrogen emission (121.6 nm), atomic oxygen emission (130.4 nm and 135.6 nm), and carbon monoxide fourth positive group band emission (140 nm-170 nm). Radiances at these wavelengths will be used to derive the column abundance of atomic oxygen, and carbon monoxide in the Martian thermosphere, and the density of atomic oxygen and atomic hydrogen in the Martian exosphere both with spatial and sub-seasonal variability. EMUS consists of a single telescope mirror feeding a Rowland circle imaging spectrograph capable of selectable spectral resolution (1.3 nm, 1.8 nm, or 5 nm) with a photon-counting and locating detector (provided by the Space Sciences Laboratory at the University of California, Berkeley). The EMUS spatial resolution of less than 300km on the disk is sufficient to characterize spatial variability in the Martian thermosphere (100-200 km altitude) and exosphere (>200 km altitude). The instrument is jointly developed by the Laboratory for Atmospheric and Space Physics (LASP) at the University of Colorado Boulder and Mohammed Bin Rashid Space Centre (MBRSC) in Dubai, UAE

Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations.

PubMed

Ou, Shu-Ching; Cui, Di; Wezowicz, Matthew; Taufer, Michela; Patel, Sandeep

2015-06-15

In this study, we examine the temperature dependence of free energetics of nanotube association using graphical processing unit-enabled all-atom molecular dynamics simulations (FEN ZI) with two (10,10) single-walled carbon nanotubes in 3 m NaI aqueous salt solution. Results suggest that the free energy, enthalpy and entropy changes for the association process are all reduced at the high temperature, in agreement with previous investigations using other hydrophobes. Via the decomposition of free energy into individual components, we found that solvent contribution (including water, anion, and cation contributions) is correlated with the spatial distribution of the corresponding species and is influenced distinctly by the temperature. We studied the spatial distribution and the structure of the solvent in different regions: intertube, intratube and the bulk solvent. By calculating the fluctuation of coarse-grained tube-solvent surfaces, we found that tube-water interfacial fluctuation exhibits the strongest temperature dependence. By taking ions to be a solvent-like medium in the absence of water, tube-anion interfacial fluctuation shows similar but weaker dependence on temperature, while tube-cation interfacial fluctuation shows no dependence in general. These characteristics are discussed via the malleability of their corresponding solvation shells relative to the nanotube surface. Hydrogen bonding profiles and tetrahedrality of water arrangement are also computed to compare the structure of solvent in the solvent bulk and intertube region. The hydrophobic confinement induces a relatively lower concentration environment in the intertube region, therefore causing different intertube solvent structures which depend on the tube separation. This study is relevant in the continuing discourse on hydrophobic interactions (as they impact generally a broad class of phenomena in biology, biochemistry, and materials science and soft condensed matter research), and interpretations of hydrophobicity in terms of alternative but parallel signatures such as interfacial fluctuations, dewetting transitions, and enhanced fluctuation probabilities at interfaces. © 2015 Wiley Periodicals, Inc.

Sparse Reconstruction for Temperature Distribution Using DTS Fiber Optic Sensors with Applications in Electrical Generator Stator Monitoring.

PubMed

Bazzo, João Paulo; Pipa, Daniel Rodrigues; da Silva, Erlon Vagner; Martelli, Cicero; Cardozo da Silva, Jean Carlos

2016-09-07

This paper presents an image reconstruction method to monitor the temperature distribution of electric generator stators. The main objective is to identify insulation failures that may arise as hotspots in the structure. The method is based on temperature readings of fiber optic distributed sensors (DTS) and a sparse reconstruction algorithm. Thermal images of the structure are formed by appropriately combining atoms of a dictionary of hotspots, which was constructed by finite element simulation with a multi-physical model. Due to difficulties for reproducing insulation faults in real stator structure, experimental tests were performed using a prototype similar to the real structure. The results demonstrate the ability of the proposed method to reconstruct images of hotspots with dimensions down to 15 cm, representing a resolution gain of up to six times when compared to the DTS spatial resolution. In addition, satisfactory results were also obtained to detect hotspots with only 5 cm. The application of the proposed algorithm for thermal imaging of generator stators can contribute to the identification of insulation faults in early stages, thereby avoiding catastrophic damage to the structure.

Survival resonances in an atom-optics system driven by temporally and spatially periodic dissipation

NASA Astrophysics Data System (ADS)

Chai, Shijie; Fekete, Julia; McDowall, Peter; Coop, Simon; Lindballe, Thue; Andersen, Mikkel F.

2018-03-01

We investigate laser-cooled atoms periodically driven by pulsed standing waves of light tuned close to an open atomic transition. This nonunitary system displays survival resonances for certain driving frequencies. The survival resonances emerge as a result of the matter-wave Talbot-Lau effect, similar to the Talbot effect causing quantum resonances in the atom optics δ -kicked rotor. Since the Talbot-Lau effect occurs for incoherent waves, the survival resonances can be observed using thermal atoms. A microlensing effect can enhance the height and incisiveness of the resonances. This may find applications in precision measurements.

Chemical imaging of latent fingerprints by mass spectrometry based on laser activated electron tunneling.

PubMed

Tang, Xuemei; Huang, Lulu; Zhang, Wenyang; Zhong, Hongying

2015-03-03

Identification of endogenous and exogenous chemicals contained in latent fingerprints is important for forensic science in order to acquire evidence of criminal identities and contacts with specific chemicals. Mass spectrometry has emerged as a powerful technique for such applications without any derivatization or fluorescent tags. Among these techniques, MALDI (Matrix Assisted Laser Desorption Ionization) provides small beam size but has interferences with MALDI matrix materials, which cause ion suppressions as well as limited spatial resolution resulting from uneven distribution of MALDI matrix crystals with different sizes. LAET (Laser Activated Electron Tunneling) described in this work offers capabilities for chemical imaging through electron-directed soft ionization. A special film of semiconductors has been designed for collection of fingerprints. Nanoparticles of bismuth cobalt zinc oxide were compressed on a conductive metal substrate (Al or Cu sticky tape) under 10 MPa pressure. Resultant uniform thin films provide tight and shining surfaces on which fingers are impressed. Irradiation of ultraviolet laser pulses (355 nm) on the thin film instantly generates photoelectrons that can be captured by adsorbed organic molecules and subsequently cause electron-directed ionization and fragmentation. Imaging of latent fingerprints is achieved by visualization of the spatial distribution of these molecular ions and structural information-rich fragment ions. Atomic electron emission together with finely tuned laser beam size improve spatial resolution. With the LAET technique, imaging analysis not only can identify physical shapes but also reveal endogenous metabolites present in females and males, detect contacts with prohibited substances, and resolve overlapped latent fingerprints.

Controlling stray electric fields on an atom chip for experiments on Rydberg atoms

NASA Astrophysics Data System (ADS)

Davtyan, D.; Machluf, S.; Soudijn, M. L.; Naber, J. B.; van Druten, N. J.; van Linden van den Heuvell, H. B.; Spreeuw, R. J. C.

2018-02-01

Experiments handling Rydberg atoms near surfaces must necessarily deal with the high sensitivity of Rydberg atoms to (stray) electric fields that typically emanate from adsorbates on the surface. We demonstrate a method to modify and reduce the stray electric field by changing the adsorbate distribution. We use one of the Rydberg excitation lasers to locally affect the adsorbed dipole distribution. By adjusting the averaged exposure time we change the strength (with the minimal value less than 0.2 V /cm at 78 μ m from the chip) and even the sign of the perpendicular field component. This technique is a useful tool for experiments handling Rydberg atoms near surfaces, including atom chips.

Low-loss electron energy loss spectroscopy: An atomic-resolution complement to optical spectroscopies and application to graphene

DOE PAGES

Kapetanakis, Myron; Zhou, Wu; Oxley, Mark P.; ...

2015-09-25

Photon-based spectroscopies have played a central role in exploring the electronic properties of crystalline solids and thin films. They are a powerful tool for probing the electronic properties of nanostructures, but they are limited by lack of spatial resolution. On the other hand, electron-based spectroscopies, e.g., electron energy loss spectroscopy (EELS), are now capable of subangstrom spatial resolution. Core-loss EELS, a spatially resolved analog of x-ray absorption, has been used extensively in the study of inhomogeneous complex systems. In this paper, we demonstrate that low-loss EELS in an aberration-corrected scanning transmission electron microscope, which probes low-energy excitations, combined with amore » theoretical framework for simulating and analyzing the spectra, is a powerful tool to probe low-energy electron excitations with atomic-scale resolution. The theoretical component of the method combines density functional theory–based calculations of the excitations with dynamical scattering theory for the electron beam. We apply the method to monolayer graphene in order to demonstrate that atomic-scale contrast is inherent in low-loss EELS even in a perfectly periodic structure. The method is a complement to optical spectroscopy as it probes transitions entailing momentum transfer. The theoretical analysis identifies the spatial and orbital origins of excitations, holding the promise of ultimately becoming a powerful probe of the structure and electronic properties of individual point and extended defects in both crystals and inhomogeneous complex nanostructures. The method can be extended to probe magnetic and vibrational properties with atomic resolution.« less

Effects of geometrical structure on spatial distribution of thermal energy in two-dimensional triangular lattices

NASA Astrophysics Data System (ADS)

Liu, Yong-Yang; Xu, Yu-Liang; Liu, Zhong-Qiang; Li, Jing; Wang, Chun-Yang; Kong, Xiang-Mu

2018-07-01

Employing the correlation matrix technique, the spatial distribution of thermal energy in two-dimensional triangular lattices in equilibrium, interacting with linear springs, is studied. It is found that the spatial distribution of thermal energy varies with the included angle of the springs. In addition, the average thermal energy of the longer springs is lower. Springs with different included angle and length will lead to an inhomogeneous spatial distribution of thermal energy. This suggests that the spatial distribution of thermal energy is affected by the geometrical structure of the system: the more asymmetric the geometrical structure of the system is, the more inhomogeneous is the spatial distribution of thermal energy.

High-spatial-resolution mapping of catalytic reactions on single particles

DOE PAGES

Wu, Chung-Yeh; Wolf, William J.; Levartovsky, Yehonatan; ...

2017-01-26

We report the critical role in surface reactions and heterogeneous catalysis of metal atoms with low coordination numbers, such as found at atomic steps and surface defects, is firmly established. But despite the growing availability of tools that enable detailed in situ characterization, so far it has not been possible to document this role directly. Surface properties can be mapped with high spatial resolution, and catalytic conversion can be tracked with a clear chemical signature; however, the combination of the two, which would enable high-spatial-resolution detection of reactions on catalytic surfaces, has rarely been achieved. Single-molecule fluorescence spectroscopy has beenmore » used to image and characterize single turnover sites at catalytic surfaces, but is restricted to reactions that generate highly fluorescing product molecules. Herein the chemical conversion of N-heterocyclic carbene molecules attached to catalytic particles is mapped using synchrotron-radiation-based infrared nanospectroscopy with a spatial resolution of 25 nanometres, which enabled particle regions that differ in reactivity to be distinguished. Lastly, these observations demonstrate that, compared to the flat regions on top of the particles, the peripheries of the particles-which contain metal atoms with low coordination numbers-are more active in catalysing oxidation and reduction of chemically active groups in surface-anchored N-heterocyclic carbene molecules.« less

Description of atomic burials in compact globular proteins by Fermi-Dirac probability distributions.

PubMed

Gomes, Antonio L C; de Rezende, Júlia R; Pereira de Araújo, Antônio F; Shakhnovich, Eugene I

2007-02-01

We perform a statistical analysis of atomic distributions as a function of the distance R from the molecular geometrical center in a nonredundant set of compact globular proteins. The number of atoms increases quadratically for small R, indicating a constant average density inside the core, reaches a maximum at a size-dependent distance R(max), and falls rapidly for larger R. The empirical curves turn out to be consistent with the volume increase of spherical concentric solid shells and a Fermi-Dirac distribution in which the distance R plays the role of an effective atomic energy epsilon(R) = R. The effective chemical potential mu governing the distribution increases with the number of residues, reflecting the size of the protein globule, while the temperature parameter beta decreases. Interestingly, betamu is not as strongly dependent on protein size and appears to be tuned to maintain approximately half of the atoms in the high density interior and the other half in the exterior region of rapidly decreasing density. A normalized size-independent distribution was obtained for the atomic probability as a function of the reduced distance, r = R/R(g), where R(g) is the radius of gyration. The global normalized Fermi distribution, F(r), can be reasonably decomposed in Fermi-like subdistributions for different atomic types tau, F(tau)(r), with Sigma(tau)F(tau)(r) = F(r), which depend on two additional parameters mu(tau) and h(tau). The chemical potential mu(tau) affects a scaling prefactor and depends on the overall frequency of the corresponding atomic type, while the maximum position of the subdistribution is determined by h(tau), which appears in a type-dependent atomic effective energy, epsilon(tau)(r) = h(tau)r, and is strongly correlated to available hydrophobicity scales. Better adjustments are obtained when the effective energy is not assumed to be necessarily linear, or epsilon(tau)*(r) = h(tau)*r(alpha,), in which case a correlation with hydrophobicity scales is found for the product alpha(tau)h(tau)*. These results indicate that compact globular proteins are consistent with a thermodynamic system governed by hydrophobic-like energy functions, with reduced distances from the geometrical center, reflecting atomic burials, and provide a conceptual framework for the eventual prediction from sequence of a few parameters from which whole atomic probability distributions and potentials of mean force can be reconstructed. Copyright 2006 Wiley-Liss, Inc.

Entanglement dynamics in random media

NASA Astrophysics Data System (ADS)

Menezes, G.; Svaiter, N. F.; Zarro, C. A. D.

2017-12-01

We study how the entanglement dynamics between two-level atoms is impacted by random fluctuations of the light cone. In our model the two-atom system is envisaged as an open system coupled with an electromagnetic field in the vacuum state. We employ the quantum master equation in the Born-Markov approximation in order to describe the completely positive time evolution of the atomic system. We restrict our investigations to the situation in which the atoms are coupled individually to two spatially separated cavities, one of which displays the emergence of light-cone fluctuations. In such a disordered cavity, we assume that the coefficients of the Klein-Gordon equation are random functions of the spatial coordinates. The disordered medium is modeled by a centered, stationary, and Gaussian process. We demonstrate that disorder has the effect of slowing down the entanglement decay. We conjecture that in a strong-disorder environment the mean life of entangled states can be enhanced in such a way as to almost completely suppress quantum nonlocal decoherence.

All-atom ensemble modeling to analyze small angle X-ray scattering of glycosylated proteins

PubMed Central

Guttman, Miklos; Weinkam, Patrick; Sali, Andrej; Lee, Kelly K.

2013-01-01

Summary The flexible and heterogeneous nature of carbohydrate chains often renders glycoproteins refractory to traditional structure determination methods. Small Angle X-ray scattering (SAXS) can be a useful tool for obtaining structural information of these systems. All-atom modeling of glycoproteins with flexible glycan chains was applied to interpret the solution SAXS data for a set of glycoproteins. For simpler systems (single glycan, with a well defined protein structure), all-atom modeling generates models in excellent agreement with the scattering pattern, and reveals the approximate spatial occupancy of the glycan chain in solution. For more complex systems (several glycan chains, or unknown protein substructure), the approach can still provide insightful models, though the orientations of glycans become poorly determined. Ab initio shape reconstructions appear to capture the global morphology of glycoproteins, but in most cases offer little information about glycan spatial occupancy. The all-atom modeling methodology is available as a webserver at http://modbase.compbio.ucsf.edu/allosmod-foxs. PMID:23473666

Surface Impact Simulations of Helium Nanodroplets

DTIC Science & Technology

2015-06-30

mechanical delocalization of the individual helium atoms in the droplet and the quan- tum statistical effects that accompany the interchange of identical...incorporates the effects of atomic delocaliza- tion by treating individual atoms as smeared-out probability distributions that move along classical...probability density distributions to give effec- tive interatomic potential energy curves that have zero-point averaging effects built into them [25

Dopant Distribution in Atomic Layer Deposited ZnO:Al Films Visualized by Transmission Electron Microscopy and Atom Probe Tomography.

PubMed

Wu, Yizhi; Giddings, A Devin; Verheijen, Marcel A; Macco, Bart; Prosa, Ty J; Larson, David J; Roozeboom, Fred; Kessels, Wilhelmus M M

2018-02-27

The maximum conductivity achievable in Al-doped ZnO thin films prepared by atomic layer deposition (ALD) is limited by the low doping efficiency of Al. To better understand the limiting factors for the doping efficiency, the three-dimensional distribution of Al atoms in the ZnO host material matrix has been examined on the atomic scale using a combination of high-resolution transmission electron microscopy (TEM) and atom probe tomography (APT). Although the Al distribution in ZnO films prepared by so-called "ALD supercycles" is often presented as atomically flat δ-doped layers, in reality a broadening of the Al-dopant layers is observed with a full-width-half-maximum of ∼2 nm. In addition, an enrichment of the Al at grain boundaries is observed. The low doping efficiency for local Al densities > ∼1 nm -3 can be ascribed to the Al solubility limit in ZnO and to the suppression of the ionization of Al dopants from adjacent Al donors.

Dopant Distribution in Atomic Layer Deposited ZnO:Al Films Visualized by Transmission Electron Microscopy and Atom Probe Tomography

PubMed Central

2018-01-01

The maximum conductivity achievable in Al-doped ZnO thin films prepared by atomic layer deposition (ALD) is limited by the low doping efficiency of Al. To better understand the limiting factors for the doping efficiency, the three-dimensional distribution of Al atoms in the ZnO host material matrix has been examined on the atomic scale using a combination of high-resolution transmission electron microscopy (TEM) and atom probe tomography (APT). Although the Al distribution in ZnO films prepared by so-called “ALD supercycles” is often presented as atomically flat δ-doped layers, in reality a broadening of the Al-dopant layers is observed with a full-width–half-maximum of ∼2 nm. In addition, an enrichment of the Al at grain boundaries is observed. The low doping efficiency for local Al densities > ∼1 nm–3 can be ascribed to the Al solubility limit in ZnO and to the suppression of the ionization of Al dopants from adjacent Al donors. PMID:29515290

Optimization of a constrained linear monochromator design for neutral atom beams.

PubMed

Kaltenbacher, Thomas

2016-04-01

A focused ground state, neutral atom beam, exploiting its de Broglie wavelength by means of atom optics, is used for neutral atom microscopy imaging. Employing Fresnel zone plates as a lens for these beams is a well established microscopy technique. To date, even for favorable beam source conditions a minimal focus spot size of slightly below 1μm was reached. This limitation is essentially given by the intrinsic spectral purity of the beam in combination with the chromatic aberration of the diffraction based zone plate. Therefore, it is important to enhance the monochromaticity of the beam, enabling a higher spatial resolution, preferably below 100nm. We propose to increase the monochromaticity of a neutral atom beam by means of a so-called linear monochromator set-up - a Fresnel zone plate in combination with a pinhole aperture - in order to gain more than one order of magnitude in spatial resolution. This configuration is known in X-ray microscopy and has proven to be useful, but has not been applied to neutral atom beams. The main result of this work is optimal design parameters based on models for this linear monochromator set-up followed by a second zone plate for focusing. The optimization was performed for minimizing the focal spot size and maximizing the centre line intensity at the detector position for an atom beam simultaneously. The results presented in this work are for, but not limited to, a neutral helium atom beam. Copyright © 2016 Elsevier B.V. All rights reserved.

Investigation of the possible effects of comet Encke's meteoroid stream on the Ca exosphere of Mercury

NASA Astrophysics Data System (ADS)

Plainaki, Christina; Mura, Alessandro; Milillo, Anna; Orsini, Stefano; Livi, Stefano; Mangano, Valeria; Massetti, Stefano; Rispoli, Rosanna; De Angelis, Elisabetta

2017-06-01

The MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) observations of the seasonal variability of Mercury's Ca exosphere are consistent with the general idea that the Ca atoms originate from the bombardment of the surface by particles from comet 2P/Encke. The generating mechanism is believed to be a combination of different processes including the release of atomic and molecular surface particles and the photodissociation of exospheric molecules. Considering different generation and loss mechanisms, we perform simulations with a 3-D Monte Carlo model based on the exosphere generation model by Mura et al. (2009). We present for the first time the 3-D spatial distribution of the CaO and Ca exospheres generated through the process of micrometeoroid impact vaporization, and we show that the morphology of the latter is consistent with the available MESSENGER/Mercury Atmospheric and Surface Composition Spectrometer observations. The results presented in this paper can be useful in the exosphere observations planning for BepiColombo, the upcoming European Space Agency-Japanese Aerospace Exploration Agency mission to Mercury.

Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3

PubMed Central

Ziatdinov, M.; Banerjee, A.; Maksov, A.; Berlijn, T.; Zhou, W.; Cao, H. B.; Yan, J.-Q.; Bridges, C. A.; Mandrus, D. G.; Nagler, S. E.; Baddorf, A. P.; Kalinin, S. V.

2016-01-01

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ≈0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface. PMID:27941761

Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl3.

PubMed

Ziatdinov, M; Banerjee, A; Maksov, A; Berlijn, T; Zhou, W; Cao, H B; Yan, J-Q; Bridges, C A; Mandrus, D G; Nagler, S E; Baddorf, A P; Kalinin, S V

2016-12-12

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, α-RuCl 3 . Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of α-RuCl 3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at the nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of ≈0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual α-RuCl 3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.

Atomic-scale observation of structural and electronic orders in the layered compound α-RuCl 3

DOE PAGES

Ziatdinov, Maxim A.; Banerjee, Arnab; Maksov, Artem B.; ...

2016-12-12

A pseudospin-1/2 Mott phase on a honeycomb lattice is proposed to host the celebrated two-dimensional Kitaev model which has an elusive quantum spin liquid ground state, and fascinating physics relevant to the development of future templates towards topological quantum bits. Here we report a comprehensive, atomically resolved real-space study by scanning transmission electron and scanning tunnelling microscopies on a novel layered material displaying Kitaev physics, -RuCl3. Our local crystallography analysis reveals considerable variations in the geometry of the ligand sublattice in thin films of -RuCl3 that opens a way to realization of a spatially inhomogeneous magnetic ground state at themore » nanometre length scale. Using scanning tunnelling techniques, we observe the electronic energy gap of 0.25 eV and intra-unit cell symmetry breaking of charge distribution in individual -RuCl3 surface layer. The corresponding charge-ordered pattern has a fine structure associated with two different types of charge disproportionation at Cl-terminated surface.« less

Deformation twinning induced decomposition of lamellar LPSO structure and its re-precipitation in an Mg-Zn-Y alloy

NASA Astrophysics Data System (ADS)

Shao, X. H.; Zheng, S. J.; Chen, D.; Jin, Q. Q.; Peng, Z. Z.; Ma, X. L.

2016-07-01

The high hardness or yield strength of an alloy is known to benefit from the presence of small-scale precipitation, whose hardening effect is extensively applied in various engineering materials. Stability of the precipitates is of critical importance in maintaining the high performance of a material under mechanical loading. The long period stacking ordered (LPSO) structures play an important role in tuning the mechanical properties of an Mg-alloy. Here, we report deformation twinning induces decomposition of lamellar LPSO structures and their re-precipitation in an Mg-Zn-Y alloy. Using atomic resolution scanning transmission electron microscopy (STEM), we directly illustrate that the misfit dislocations at the interface between the lamellar LPSO structure and the deformation twin is corresponding to the decomposition and re-precipitation of LPSO structure, owing to dislocation effects on redistribution of Zn/Y atoms. This finding demonstrates that deformation twinning could destabilize complex precipitates. An occurrence of decomposition and re-precipitation, leading to a variant spatial distribution of the precipitates under plastic loading, may significantly affect the precipitation strengthening.

Deformation twinning induced decomposition of lamellar LPSO structure and its re-precipitation in an Mg-Zn-Y alloy

PubMed Central

Shao, X. H.; Zheng, S. J.; Chen, D.; Jin, Q. Q.; Peng, Z. Z.; Ma, X. L.

2016-01-01

The high hardness or yield strength of an alloy is known to benefit from the presence of small-scale precipitation, whose hardening effect is extensively applied in various engineering materials. Stability of the precipitates is of critical importance in maintaining the high performance of a material under mechanical loading. The long period stacking ordered (LPSO) structures play an important role in tuning the mechanical properties of an Mg-alloy. Here, we report deformation twinning induces decomposition of lamellar LPSO structures and their re-precipitation in an Mg-Zn-Y alloy. Using atomic resolution scanning transmission electron microscopy (STEM), we directly illustrate that the misfit dislocations at the interface between the lamellar LPSO structure and the deformation twin is corresponding to the decomposition and re-precipitation of LPSO structure, owing to dislocation effects on redistribution of Zn/Y atoms. This finding demonstrates that deformation twinning could destabilize complex precipitates. An occurrence of decomposition and re-precipitation, leading to a variant spatial distribution of the precipitates under plastic loading, may significantly affect the precipitation strengthening. PMID:27435638

Advanced microscopy of star-shaped gold nanoparticles and their adsorption-uptake by macrophages

PubMed Central

Plascencia-Villa, Germán; Bahena, Daniel; Rodríguez, Annette R.; Ponce, Arturo; José-Yacamán, Miguel

2013-01-01

Metallic nanoparticles have diverse applications in biomedicine, as diagnostics, image contrast agents, nanosensors and drug delivery systems. Anisotropic metallic nanoparticles possess potential applications in cell imaging and therapy+diagnostics (theranostics), but controlled synthesis and growth of these anisotropic or branched nanostructures has been challenging and usually require use of high concentrations of surfactants. Star-shaped gold nanoparticles were synthesized in high yield through a seed mediated route using HEPES as a precise shape-directing capping agent. Characterization was performed using advanced electron microscopy techniques including atomic resolution TEM, obtaining a detailed characterization of nanostructure and atomic arrangement. Spectroscopy techniques showed that particles have narrow size distribution, monodispersity and high colloidal stability, with absorbance into NIR region and high efficiency for SERS applications. Gold nanostars showed to be biocompatible and efficiently adsorbed and internalized by macrophages, as revealed by advanced FE-SEM and backscattered electron imaging techniques of complete unstained uncoated cells. Additionally, low voltage STEM and X-ray microanalysis revealed the ultra-structural location and confirmed stability of nanoparticles after endocytosis with high spatial resolution. PMID:23443314

Lead isotope ratios in lichen samples evaluated by ICP-ToF-MS to assess possible atmospheric pollution sources in Havana, Cuba.

PubMed

Alvarez, Alfredo Montero; Estévez Alvarez, Juan R; do Nascimento, Clístenes Williams Araújo; González, Iván Pupo; Rizo, Oscar Díaz; Carzola, Lázaro Lima; Torres, Roberto Ayllón; Pascual, Jorge Gómez

2017-01-01

Epiphytic lichens, collected from 119 sampling sites grown over "Roistonea Royal Palm" trees, were used to assess the spatial distribution pattern of lead (Pb) and identify possible pollution sources in Havana (Cuba). Lead concentrations in lichens and topsoils were determined by flame atomic absorption spectrophotometry and inductively coupled plasma (ICP) atomic emission spectrometry, respectively, while Pb in crude oils and gasoline samples were measured by ICP-time of flight mass spectrometry (ICP-ToF-MS). Lead isotopic ratios measurements for lichens, soils, and crude oils were obtained by ICP-ToF-MS. We found that enrichment factors (EF) reflected a moderate contamination for 71% of the samples (EF > 10). The 206 Pb/ 207 Pb ratio values for lichens ranged from 1.17 to 1.20 and were a mixture of natural radiogenic and industrial activities (e.g., crude oils and fire plants). The low concentration of Pb found in gasoline (<7.0 μg L -1 ) confirms the official statement that leaded gasoline is no longer used in Cuba.

Endothelial permeability is controlled by spatially defined cytoskeletal mechanics: atomic force microscopy force mapping of pulmonary endothelial monolayer.

PubMed

Birukova, Anna A; Arce, Fernando T; Moldobaeva, Nurgul; Dudek, Steven M; Garcia, Joe G N; Lal, Ratnesh; Birukov, Konstantin G

2009-03-01

Actomyosin contraction directly regulates endothelial cell (EC) permeability, but intracellular redistribution of cytoskeletal tension associated with EC permeability is poorly understood. We used atomic force microscopy (AFM), EC permeability assays, and fluorescence microscopy to link barrier regulation, cell remodeling, and cytoskeletal mechanical properties in EC treated with barrier-protective as well as barrier-disruptive agonists. Thrombin, vascular endothelial growth factor, and hydrogen peroxide increased EC permeability, disrupted cell junctions, and induced stress fiber formation. Oxidized 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine, hepatocyte growth factor, and iloprost tightened EC barriers, enhanced peripheral actin cytoskeleton and adherens junctions, and abolished thrombin-induced permeability and EC remodeling. AFM force mapping and imaging showed differential distribution of cell stiffness: barrier-disruptive agonists increased stiffness in the central region, and barrier-protective agents decreased stiffness in the center and increased it at the periphery. Attenuation of thrombin-induced permeability correlates well with stiffness changes from the cell center to periphery. These results directly link for the first time the patterns of cell stiffness with specific EC permeability responses.

Femtosecond Electron Wave Packet Propagation and Diffraction: Towards Making the ``Molecular Movie"

NASA Astrophysics Data System (ADS)

Miller, R. J. Dwayne

2003-03-01

Time-resolved electron diffraction harbors great promise for achieving atomic resolution of the fastest chemical processes. The generation of sufficiently short electron pulses to achieve this real time view of a chemical reaction has been limited by problems in maintaining short electron pulses with realistic electron densities to the sample. The propagation dynamics of femtosecond electron packets in the drift region of a photoelectron gun are investigated with an N-body numerical simulation and mean-field model. This analyis shows that the redistribution of electrons inside the packet, arising from space-charge and dispersion contributions, changes the pulse envelope and leads to the development of a spatially linear axial velocity distribution. These results have been used in the design of femtosecond photoelectron guns with higher time resolution and novel electron-optical methods of pulse characterization that are approaching 100 fs timescales. Time-resolved diffraction studies with electron pulses of approximately 500 femtoseconds have focused on solid-liquid phase transitions under far from equilibrium conditions. This work gives a microscopic description of the melting process and illustrates the promise of atomically resolving transition state processes.

Atomic layer deposition of iron oxide on reduced graphene oxide and its catalytic activity in the thermal decomposition of ammonium perchlorate

NASA Astrophysics Data System (ADS)

Yan, Ning; Qin, Lijun; Li, Jianguo; Zhao, Fengqi; Feng, Hao

2018-09-01

Reduced graphene oxide (rGO) decorated with finely dispersed Fe2O3 nanoparticles (rGO@Fe2O3) was prepared through a facile atomic layer deposition (ALD) route. Compositional and morphological characterizations were conducted using various techniques including scanning electron microscopy (SEM), transmission electron microscopy (TEM), X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). A uniform dispersion of densely packed Fe2O3 nanoparticles has been successfully achieved on the graphene nanosheets, leading to improved spatial distribution as well as increased number of active sites compared to unsupported Fe2O3 nanoparticles. Differential scanning calorimetry (DSC) results show that rGO@Fe2O3 composites exhibit excellent catalytic activities in the thermal decomposition of ammonium perchlorate (AP), which are probably due to the synergistic effect of the rGO nanosheets and the supported Fe2O3 nanoparticles. ALD has been proved to be an effective approach to design and develop new classes of materials as efficient combustion catalysts.

Investigation of Iron Oxide Morphology in a Cyclic Redox Water Splitting Process for Hydrogen Generation

PubMed Central

Bobek, Michael M.; Stehle, Richard C.; Hahn, David W.

2012-01-01

A solar fuels generation research program is focused on hydrogen production by means of reactive metal water splitting in a cyclic iron-based redox process. Iron-based oxides are explored as an intermediary reactive material to dissociate water molecules at significantly reduced thermal energies. With a goal of studying the resulting oxide chemistry and morphology, chemical assistance via CO is used to complete the redox cycle. In order to exploit the unique characteristics of highly reactive materials at the solar reactor scale, a monolithic laboratory scale reactor has been designed to explore the redox cycle at temperatures ranging from 675 to 875 K. Using high resolution scanning electron microscope (SEM) and electron dispersive X-ray spectroscopy (EDS), the oxide morphology and the oxide state are quantified, including spatial distributions. These images show the change of the oxide layers directly after oxidation and after reduction. The findings show a significant non-stoichiometric O/Fe gradient in the atomic ratio following oxidation, which is consistent with a previous kinetics model, and a relatively constant, non-stoichiometric O/Fe atomic ratio following reduction.

Characterization of three-way automotive catalysts

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kenik, E.A.; More, K.L.; LaBarge, W.

1997-04-01

The CRADA between Delphi Automotive Systems (Delphi; formerly General Motors - AC Delco, Systems) and Lockheed Martin Energy Research (LMER) on automotive catalysts was completed at the end of FY96, after a ten month, no-cost extension. The CRADA was aimed at improved performance and lifetime of noble metal based three-way-catalysts (TWC), which are the primary catalytic system for automotive emission control systems. While these TWC can meet the currently required emission standards, higher than optimum noble metal loadings are often required to meet lifetime requirements. In addition, more stringent emission standards will be imposed in the near future, demanding improvedmore » performance and service life from these catalysts. Understanding the changes of TWC conversion efficiency with ageing is a critical need in improving these catalysts. Initially in a fresh catalyst, the active material is often distributed on a very fine scale, approaching single atoms or small atomic clusters. As such, a wide range of analytical techniques have been employed to provide high spatial resolution characterization of the evolving state of the catalytic material.« less

Spatially resolved resonant tunneling on single atoms in silicon.

PubMed

Voisin, B; Salfi, J; Bocquel, J; Rahman, R; Rogge, S

2015-04-22

The ability to control single dopants in solid-state devices has opened the way towards reliable quantum computation schemes. In this perspective it is essential to understand the impact of interfaces and electric fields, inherent to address coherent electronic manipulation, on the dopants atomic scale properties. This requires both fine energetic and spatial resolution of the energy spectrum and wave-function, respectively. Here we present an experiment fulfilling both conditions: we perform transport on single donors in silicon close to a vacuum interface using a scanning tunneling microscope (STM) in the single electron tunneling regime. The spatial degrees of freedom of the STM tip provide a versatility allowing a unique understanding of electrostatics. We obtain the absolute energy scale from the thermal broadening of the resonant peaks, allowing us to deduce the charging energies of the donors. Finally we use a rate equations model to derive the current in presence of an excited state, highlighting the benefits of the highly tunable vacuum tunnel rates which should be exploited in further experiments. This work provides a general framework to investigate dopant-based systems at the atomic scale.

Method and apparatus for atomic imaging

DOEpatents

Saldin, Dilano K.; de Andres Rodriquez, Pedro L.

1993-01-01

A method and apparatus for three dimensional imaging of the atomic environment of disordered adsorbate atoms are disclosed. The method includes detecting and measuring the intensity of a diffuse low energy electron diffraction pattern formed by directing a beam of low energy electrons against the surface of a crystal. Data corresponding to reconstructed amplitudes of a wave form is generated by operating on the intensity data. The data corresponding to the reconstructed amplitudes is capable of being displayed as a three dimensional image of an adsorbate atom. The apparatus includes a source of a beam of low energy electrons and a detector for detecting the intensity distribution of a DLEED pattern formed at the detector when the beam of low energy electrons is directed onto the surface of a crystal. A device responsive to the intensity distribution generates a signal corresponding to the distribution which represents a reconstructed amplitude of a wave form and is capable of being converted into a three dimensional image of the atomic environment of an adsorbate atom on the crystal surface.

Can single molecule localization microscopy be used to map closely spaced RGD nanodomains?

PubMed Central

Nicovich, Philip R.; Soeriyadi, Alexander; Nieves, Daniel J.; Gooding, J. Justin; Gaus, Katharina

2017-01-01

Cells sense and respond to nanoscale variations in the distribution of ligands to adhesion receptors. This makes single molecule localization microscopy (SMLM) an attractive tool to map the distribution of ligands on nanopatterned surfaces. We explore the use of SMLM spatial cluster analysis to detect nanodomains of the cell adhesion-stimulating tripeptide arginine-glycine-aspartic acid (RGD). These domains were formed by the phase separation of block copolymers with controllable spacing on the scale of tens of nanometers. We first determined the topology of the block copolymer with atomic force microscopy (AFM) and then imaged the localization of individual RGD peptides with direct stochastic optical reconstruction microscopy (dSTORM). To compare the data, we analyzed the dSTORM data with DBSCAN (density-based spatial clustering application with noise). The ligand distribution and polymer topology are not necessary identical since peptides may attach to the polymer outside the nanodomains and/or coupling and detection of peptides within the nanodomains is incomplete. We therefore performed simulations to explore the extent to which nanodomains could be mapped with dSTORM. We found that successful detection of nanodomains by dSTORM was influenced by the inter-domain spacing and the localization precision of individual fluorophores, and less by non-specific absorption of ligands to the substratum. For example, under our imaging conditions, DBSCAN identification of nanodomains spaced further than 50 nm apart was largely independent of background localisations, while nanodomains spaced closer than 50 nm required a localization precision of ~11 nm to correctly estimate the modal nearest neighbor distance (NDD) between nanodomains. We therefore conclude that SMLM is a promising technique to directly map the distribution and nanoscale organization of ligands and would benefit from an improved localization precision. PMID:28723958

Experiments with bosonic atoms for quantum gas assembly

NASA Astrophysics Data System (ADS)

Brown, Mark; Lin, Yiheng; Lester, Brian; Kaufman, Adam; Ball, Randall; Brossard, Ludovic; Isaev, Leonid; Thiele, Tobias; Lewis-Swan, Robert; Schymik, Kai-Niklas; Rey, Ana Maria; Regal, Cindy

2017-04-01

Quantum gas assembly is a promising platform for preparing and observing neutral atom systems on the single-atom level. We have developed a toolbox that includes ground-state laser cooling, high-fidelity loading techniques, addressable spin control, and dynamic spatial control and coupling of atoms. Already, this platform has enabled us to pursue a number of experiments studying entanglement and interference of pairs of bosonic atoms. We discuss our recent work in probabilistically entangling neutral atoms via interference, measurement, and post-selection as well as our future pursuits of interesting spin-motion dynamics of larger arrays of atoms. This work was supported by the David and Lucile Packard Foundation, National Science Foundation Physics Frontier Centers, and the National Defense Science and Engineering Graduate Fellowships program.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms

NASA Astrophysics Data System (ADS)

Lester, Brian J.; Lin, Yiheng; Brown, Mark O.; Kaufman, Adam M.; Ball, Randall J.; Knill, Emanuel; Rey, Ana M.; Regal, Cindy A.

2018-05-01

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62 ±0.03 ). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Measurement-Based Entanglement of Noninteracting Bosonic Atoms.

PubMed

Lester, Brian J; Lin, Yiheng; Brown, Mark O; Kaufman, Adam M; Ball, Randall J; Knill, Emanuel; Rey, Ana M; Regal, Cindy A

2018-05-11

We demonstrate the ability to extract a spin-entangled state of two neutral atoms via postselection based on a measurement of their spatial configuration. Typically, entangled states of neutral atoms are engineered via atom-atom interactions. In contrast, in our Letter, we use Hong-Ou-Mandel interference to postselect a spin-singlet state after overlapping two atoms in distinct spin states on an effective beam splitter. We verify the presence of entanglement and determine a bound on the postselected fidelity of a spin-singlet state of (0.62±0.03). The experiment has direct analogy to creating polarization entanglement with single photons and hence demonstrates the potential to use protocols developed for photons to create complex quantum states with noninteracting atoms.

Near-field excitation exchange between motionless point atoms located near the conductive surface

NASA Astrophysics Data System (ADS)

Kuraptsev, Aleksei S.; Sokolov, Igor M.

2018-04-01

On the basis of quantum microscopic approach we study the excitation dynamics of two motionless point atoms located near the perfectly conducting mirror. We have analyzed the spontaneous decay rate of individual atoms near the mirror as well as the strength of dipole-dipole interaction between different atoms. It is shown that the spontaneous decay rate of an excited atom significantly depends on the distance from this atom to the mirror. In the case when the interatomic separation is less or comparable with the wavelength of resonant radiation, the spontaneous decay dynamics of an excited atom is described by multi-exponential law. It depends both the interatomic separation and the spatial orientation of diatomic quasimolecule.

De Haas-van Alphen effect of a two-dimensional ultracold atomic gas

NASA Astrophysics Data System (ADS)

Farias, B.; Furtado, C.

2016-01-01

In this paper, we show how the ultracold atom analogue of the two-dimensional de Haas-van Alphen effect in electronic condensed matter systems can be induced by optical fields in a neutral atomic system. The interaction between the suitable spatially varying laser fields and tripod-type trapped atoms generates a synthetic magnetic field which leads the particles to organize themselves in Landau levels. Initially, with the atomic gas in a regime of lowest Landau level, we display the oscillatory behaviour of the atomic energy and its derivative with respect to the effective magnetic field (B) as a function of 1/B. Furthermore, we estimate the area of the Fermi circle of the two-dimensional atomic gas.

Effects of anisotropic electron-ion interactions in atomic photoelectron angular distributions

NASA Technical Reports Server (NTRS)

Dill, D.; Starace, A. F.; Manson, S. T.

1975-01-01

A summary of the angular momentum transfer formulation of the differential photoionization cross section is presented and photoionization amplitudes in LS coupling are considered. The application of the theoretical concepts and relations developed is illustrated with the aid of an example involving the calculation of the angular distribution of photoelectrons ionized from atomic sulfur according to a certain reaction. The investigation shows that anisotropic electron-ion interactions in atomic sulfur lead to measurable differences between photoelectron angular distribution asymmetry parameters corresponding to alternative ionic term levels.

Spatial distribution of traffic in a cellular mobile data network

NASA Astrophysics Data System (ADS)

Linnartz, J. P. M. G.

1987-02-01

The use of integral transforms of the probability density function for the received power to analyze the relation between the spatial distributions of offered and throughout packet traffic in a mobile radio network with Rayleigh fading channels and ALOHA multiple access was assessed. A method to obtain the spatial distribution of throughput traffic from a prescribed spatial distribution of offered traffic is presented. Incoherent and coherent addition of interference signals is considered. The channel behavior for heavy traffic loads is studied. In both the incoherent and coherent case, the spatial distribution of offered traffic required to ensure a prescribed spatially uniform throughput is synthesized numerically.

Geometry dependent suppression of collective quantum jumps in Rydberg atoms

NASA Astrophysics Data System (ADS)

Lees, Eitan; Clemens, James

2015-05-01

We consider N driven, damped Rydberg atoms in different spatial arrangements. Treating the atoms as two-level systems we model the coupling to the environment via the Lehmberg-Agarwal master equation which interpolates between fully independent and fully collective spontaneous emission depending on the specific locations of the atoms. We also include a collective dipole-dipole energy shift in the excited Rydberg state which leads to collective quantum jumps in the atomic excitation when the system is driven off resonance. We show that the quantum jumps are suppressed as the system makes a transition from independent to collective emission as the spacing of a linear array of atoms is decreased below the emission wavelength.

The Locations of Ring Current Pressure Peaks: Comparison of TWINS Measurements and CIMI Simulations for the 7-10 September 2015 CIR Storm

NASA Astrophysics Data System (ADS)

Hill, S. C.; Edmond, J. A.; Xu, H.; Perez, J. D.; Fok, M. C. H.; Goldstein, J.; McComas, D. J.; Valek, P. W.

2017-12-01

The characteristics of a four day 7-10 September 2015 co-rotating interaction region (CIR) storm (min. SYM/H ≤ -110 nT) are categorized by storm phase. Ion distributions of trapped particles in the ring current as measured by the Two Wide-Angle Imaging Neutral Atom Spectrometers (TWINS) are compared with the simulated ion distributions of the Comprehensive Inner Magnetosphere-Ionosphere Model (CIMI). The energetic neutral atom (ENA) images obtained by TWINS are deconvolved to extract equatorial pitch angle, energy spectra, ion pressure intensity, and ion pressure anisotropy distributions in the inner magnetosphere. CIMI, using either a self-consistent electric field or a semi-empirical electric field, simulates comparable distributions. There is good agreement between the data measured by TWINS and the different distributions produced by the self-consistent electric field and the semi-empirical electric field of CIMI. Throughout the storm the pitch angle distribution (PAD) is mostly perpendicular in both CIMI and TWINS and there is agreement between the anisotropy distributions. The locations of the ion pressure peaks seen by TWINS and by the self-consistent and semi empirical electric field parameters in CIMI are usually between dusk and midnight. On average, the self-consistent electric field in CIMI reveals ion pressure peaks closer to Earth than its semi empirical counterpart, while TWINS reports somewhat larger radial values for the ion pressure peak locations. There are also notable events throughout the storm during which the simulated observations show some characteristics that differ from those measured by TWINS. At times, there are ion pressure peaks with magnetic local time on the dayside and in the midnight to dawn region. We discuss these events in light of substorm injections indicated by fluctuating peaks in the AE index and a positive By component in the solar wind. There are also times in which there are multiple ion pressure peaks. This may imply that there are time dependent and spatially dependent injection events that are influenced by local reconnection regions in the tail of the magnetosphere. Using CIMI simulations, we present paths of particles with various energies to assist in interpreting these notable events.

Where is the Most Likely Location Where the Secondary Interstellar Oxygen Atoms Are Created Around the Heliosheath?

NASA Astrophysics Data System (ADS)

Park, J.; Kucharek, H.; Szabo, A.; Paschalidis, N.; Grocer, A.; Jones, S.

2017-12-01

The secondary component of the interstellar neutral gas flow is originated from charge exchange between the undisturbed primary interstellar neutrals and the ions that have been deflected as they approach the heliopause. The secondary neutrals that are emitted from the interstellar ion flow through charge exchange carry information on the diverted flow and a fraction of them can travel to the Sun. Therefore, the secondary component of the interstellar neutrals is an excellent diagnostic tool to provide important information to constrain the shape of the heliopause. The presence of the secondary neutrals was predicted in the global heliospheric models and they are observed by Interstellar Boundary Explorer (IBEX) at Earth's orbit. Using the IBEX observations of neutral helium atoms, Kubiak et al. (2016, ApJS, 223, 25) approximated the parent distribution of the secondary interstellar He atoms (so-called Warm Breeze) with a homogeneous Maxwellian distribution function. Park et al. (2016, ApJ, 833, 130) analyzed IBEX observations of secondary interstellar helium and oxygen distributions at Earth's orbit. Lee et al. (2012, ApJS, 198, 10) constructed the heliospheric phase-space distribution function of an interstellar gas species in the Earth frame as a function of solar longitude. In this distribution, the authors assume that the distribution is a drifting Maxwellian at large distances from the Sun. In this study, we assume that a fraction of the secondary neutral atoms has a velocity vector toward the Sun and they can be described as a flow with a drifting Maxwellian distribution near the heliopause. Unlike the primary interstellar gas flow, the distribution of the secondary neutrals is expected to have a wide width and their bulk speeds are slower than the bulk speed of the primary interstellar gas flow. We compare Lee's distribution and IBEX observations of neutral oxygen atoms and then estimate the most likely direction where the secondary interstellar oxygen atoms are created near the heliopause.

Navigation with Atom Interferometers

DTIC Science & Technology

2017-03-20

cos(1[ 2 1)( ttP g g e    (1) where  2  is the zero detuning Rabi frequency,  is the atomic dipole moment, 22  g is the...generalized Rabi frequency and oL   is the detuning of the laser from the atomic transition. Distribution A: Approved for public release; distribution

Visualization and automatic detection of defect distribution in GaN atomic structure from sampling Moiré phase.

PubMed

Wang, Qinghua; Ri, Shien; Tsuda, Hiroshi; Kodera, Masako; Suguro, Kyoichi; Miyashita, Naoto

2017-09-19

Quantitative detection of defects in atomic structures is of great significance to evaluating product quality and exploring quality improvement process. In this study, a Fourier transform filtered sampling Moire technique was proposed to visualize and detect defects in atomic arrays in a large field of view. Defect distributions, defect numbers and defect densities could be visually and quantitatively determined from a single atomic structure image at low cost. The effectiveness of the proposed technique was verified from numerical simulations. As an application, the dislocation distributions in a GaN/AlGaN atomic structure in two directions were magnified and displayed in Moire phase maps, and defect locations and densities were detected automatically. The proposed technique is able to provide valuable references to material scientists and engineers by checking the effect of various treatments for defect reduction. © 2017 IOP Publishing Ltd.

Migration of Point Defects in the Field of a Temperature Gradient

NASA Astrophysics Data System (ADS)

Kozlov, A. V.; Portnykh, I. A.; Pastukhov, V. I.

2018-04-01

The influence of the temperature gradient over the thickness of the cladding of a fuel element of a fast-neutron reactor on the migration of point defects formed in the cladding material due to neutron irradiation has been studied. It has been shown that, under the action of the temperature gradient, the flux of vacancies onto the inner surface of the cladding is higher than the flux of interstitial atoms, which leads to the formation of a specific concentration profile in the cladding with a vacancy-depleted zone near the inner surface. The experimental results on the spatial distribution of pores over the cladding thickness have been presented with which the data on the concentration profiles and vacancy fluxes have been compared.

Spin disorder in maghemite nanoparticles investigated using polarized neutrons and nuclear resonant scattering

NASA Astrophysics Data System (ADS)

Herlitschke, M.; Disch, S.; Sergueev, I.; Schlage, K.; Wetterskog, E.; Bergström, L.; Hermann, R. P.

2016-04-01

The manuscript reports the investigation of spin disorder in maghemite nanoparticles of different shape by a combination of polarized small-angle neutron scattering (SANSPOL) and nuclear forward scattering (NFS) techniques. Both methods are sensitive to magnetization on the nanoscale. SANSPOL allows for investigation of the particle morphology and spatial magnetization distribution and NFS extends this nanoscale information to the atomic scale, namely the orientation of the hyperfine field experienced by the iron nuclei. The studied nanospheres and nanocubes with diameters of 7.4 nm and 10.6 nm, respectively, exhibit a significant spin disorder. This effect leads to a reduction of the magnetization to 44% and 58% of the theoretical maghemite bulk value, observed consistently by both techniques.

Impact of surface morphology on the properties of light emission in InGaN epilayers

NASA Astrophysics Data System (ADS)

Kristijonas Uždavinys, Tomas; Marcinkevičius, Saulius; Mensi, Mounir; Lahourcade, Lise; Carlin, Jean-François; Martin, Denis; Butté, Raphaël; Grandjean, Nicolas

2018-05-01

Scanning near-field optical microscopy was used to study the influence of the surface morphology on the properties of light emission and alloy composition in InGaN epitaxial layers grown on GaN substrates. A strong correlation between the maps of the photoluminescence (PL) peak energy and the gradient of the surface morphology was observed. This correlation demonstrates that the In incorporation strongly depends on the geometry of the monolayer step edges that form during growth in the step-flow mode. The spatial distribution of nonradiative recombination centers — evaluated from PL intensity maps — was found to strongly anticorrelate with the local content of In atoms in the InGaN alloy.

Dynamic stimulation of quantum coherence in systems of lattice bosons.

PubMed

Robertson, Andrew; Galitski, Victor M; Refael, Gil

2011-04-22

Thermal fluctuations tend to destroy long-range phase correlations. Consequently, bosons in a lattice will undergo a transition from a phase-coherent superfluid as the temperature rises. Contrary to common intuition, however, we show that nonequilibrium driving can be used to reverse this thermal decoherence. This is possible because the energy distribution at equilibrium is rarely optimal for the manifestation of a given quantum property. We demonstrate this in the Bose-Hubbard model by calculating the nonequilibrium spatial correlation function with periodic driving. We show that the nonequilibrium phase boundary between coherent and incoherent states at finite bath temperatures can be made qualitatively identical to the familiar zero-temperature phase diagram, and we discuss the experimental manifestation of this phenomenon in cold atoms.

Multiple ionization of neon by soft x-rays at ultrahigh intensity

NASA Astrophysics Data System (ADS)

Guichard, R.; Richter, M.; Rost, J.-M.; Saalmann, U.; Sorokin, A. A.; Tiedtke, K.

2013-08-01

At the free-electron laser FLASH, multiple ionization of neon atoms was quantitatively investigated at photon energies of 93.0 and 90.5 eV. For ion charge states up to 6+, we compare the respective absolute photoionization yields with results from a minimal model and an elaborate description including standard sequential and direct photoionization channels. Both approaches are based on rate equations and take into account a Gaussian spatial intensity distribution of the laser beam. From the comparison we conclude that photoionization up to a charge of 5+ can be described by the minimal model which we interpret as sequential photoionization assisted by electron shake-up processes. For higher charges, the experimental ionization yields systematically exceed the elaborate rate-based prediction.

The Micro Imaging and Dust Analysis System - New Possibilities for Space Sciences

NASA Astrophysics Data System (ADS)

Schmied, R.; Torkar, K..; Jeszenszky, H.; Romstedt, J.; Mannel, T.; Bentley, M. S.

2015-10-01

The Rosetta mission addresses a range of fundamental questions in Solar System and cometary science and the MIDAS instrument on-board the orbiter is one of the dust analysis systems. While GIADA analyses the dust flux and spatial distribution as a function of time and space and COSIMA investigates the elemental composition of cometary grains, MIDAS is a unique high resolution Atomic Force Microscope (AFM) combined with a dust collection and handling system designed to reveal the three-dimensional topographical structure of nanoand micrometer sized dust particles [1]. In this work we concentrate on the instrumental functionality and limitations coming from the constcution and operation dealing with an AFM fabricated nearly 20 years ago and operating in a harsh environment.

Influence of disorder on electromagnetically induced transparency in chiral waveguide quantum electrodynamics

NASA Astrophysics Data System (ADS)

Mirza, Imran M.; Schotland, John C.

2018-05-01

We study single photon transport in a one-dimensional disordered lattice of three-level atoms coupled to an optical waveguide. In particular, we study atoms of \\Lambda-type that are capable of exhibiting electromagnetically induced transparency (EIT) and separately consider disorder in the atomic positions and transition frequencies. We mainly address the question of how preferential emission into waveguide modes (chirality) can influence the formation of spatially localized states. Our work has relevance to experimental studies of cold atoms coupled to nanoscale waveguides and has possible applications to quantum communications.

On the dipole approximation with error estimates

NASA Astrophysics Data System (ADS)

Boßmann, Lea; Grummt, Robert; Kolb, Martin

2018-01-01

The dipole approximation is employed to describe interactions between atoms and radiation. It essentially consists of neglecting the spatial variation of the external field over the atom. Heuristically, this is justified by arguing that the wavelength is considerably larger than the atomic length scale, which holds under usual experimental conditions. We prove the dipole approximation in the limit of infinite wavelengths compared to the atomic length scale and estimate the rate of convergence. Our results include N-body Coulomb potentials and experimentally relevant electromagnetic fields such as plane waves and laser pulses.

Atomic Force Microscope (AFM) measurements and analysis on Sagem 05R0025 secondary substrate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Soufli, R; Baker, S L; Robinson, J C

2006-02-22

The summary of Atomic Force Microscope (AFM) on Sagem 05R0025 secondary substrate: (1) 2 x 2 {micro}m{sup 2} and 10 x 10 {micro}m{sup 2} AFM measurements and analysis on Sagem 05R0025 secondary substrate at LLNL indicate rather uniform and extremely isotropic finish across the surface, with high-spatial frequency roughness {sigma} in the range 5.1-5.5 {angstrom} rms; (2) the marked absence of pronounced long-range polishing marks in any direction, combined with increased roughness in the very high spatial frequencies, are consistent with ion-beam polishing treatment on the surface. These observations are consistent with all earlier mirrors they measured from the samemore » vendor; and (3) all data were obtained with a Digital Instruments Dimension 5000{trademark} atomic force microscope.« less

Spatial patterns of distribution and abundance of Harrisia portoricensis, an endangered Caribbean cactus

Treesearch

J. Rojas-Sandoval; E. J. Melendez-Ackerman; NO-VALUE

2013-01-01

Aims The spatial distribution of biotic and abiotic factors may play a dominant role in determining the distribution and abundance of plants in arid and semiarid environments. In this study, we evaluated how spatial patterns of microhabitat variables and the degree of spatial dependence of these variables influence the distribution and abundance of the endangered...

Conductive Atomic Force Microscopy | Materials Science | NREL

Science.gov Websites

electrical measurement techniques is the high spatial resolution. For example, C-AFM measurements on : High-resolution image of a sample semiconductor device; the image shows white puff-like clusters on a dark background and was obtained using atomic force microscopy. Bottom: High-resolution image of the

Energetic Metastable Oxygen and Nitrogen Atoms in the Terrestrial Atmosphere

NASA Technical Reports Server (NTRS)

Kharchenko, Vasili; Dalgarno, A.

2005-01-01

This report summarizes our research performed under NASA Grant NAG5-11857. The three-year grant have been supported by the Geospace Sciences SR&T program. We have investigated the energetic metastable oxygen and nitrogen atoms in the terrestrial stratosphere, mesosphere and thermosphere. Hot atoms in the atmosphere are produced by solar radiation, the solar wind and various ionic reactions. Nascent hot atoms arise in ground and excited electronic states, and their translational energies are larger by two - three orders of magnitude than the thermal energies of the ambient gas. The relaxation kinetics of hot atoms determines the rate of atmospheric heating, the intensities of aeronomic reactions, and the rate of atom escape from the planet. Modeling of the non-Maxwellian energy distributions of metastable oxygen and nitrogen atoms have been focused on the determination of their impact on the energetics and chemistry of the terrestrial atmosphere between 25 and 250 km . At this altitudes, we have calculated the energy distribution functions of metastable O and N atoms and computed non-equilibrium rates of important aeronomic reactions, such as destruction of the water molecules by O(1D) atoms and production of highly excited nitric oxide molecules. In the upper atmosphere, the metastable O(lD) and N(2D) play important role in formation of the upward atomic fluxes. We have computed the upward fluxes of the metastable and ground state oxygen atoms in the upper atmosphere above 250 km. The accurate distributions of the metastable atoms have been evaluated for the day and night-time conditions.

Temporally and spatially resolved plasma spectroscopy in pulsed laser deposition of ultra-thin boron nitride films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glavin, Nicholas R., E-mail: nicholas.glavin.1@us.af.mil, E-mail: andrey.voevodin@us.af.mil; School of Mechanical Engineering and Birck Nanotechnology Center, Purdue University, West Lafayette, Indiana 47907; Muratore, Christopher

2015-04-28

Physical vapor deposition (PVD) has recently been investigated as a viable, alternative growth technique for two-dimensional materials with multiple benefits over other vapor deposition synthesis methods. The high kinetic energies and chemical reactivities of the condensing species formed from PVD processes can facilitate growth over large areas and at reduced substrate temperatures. In this study, chemistry, kinetic energies, time of flight data, and spatial distributions within a PVD plasma plume ablated from a boron nitride (BN) target by a KrF laser at different pressures of nitrogen gas were investigated. Time resolved spectroscopy and wavelength specific imaging were used to identifymore » and track atomic neutral and ionized species including B{sup +}, B*, N{sup +}, N*, and molecular species including N{sub 2}*, N{sub 2}{sup +}, and BN. Formation and decay of these species formed both from ablation of the target and from interactions with the background gas were investigated and provided insights into fundamental growth mechanisms of continuous, amorphous boron nitride thin films. The correlation of the plasma diagnostic results with film chemical composition and thickness uniformity studies helped to identify that a predominant mechanism for BN film formation is condensation surface recombination of boron ions and neutral atomic nitrogen species. These species arrive nearly simultaneously to the substrate location, and BN formation occurs microseconds before arrival of majority of N{sup +} ions generated by plume collisions with background molecular nitrogen. The energetic nature and extended dwelling time of incident N{sup +} ions at the substrate location was found to negatively impact resulting BN film stoichiometry and thickness. Growth of stoichiometric films was optimized at enriched concentrations of ionized boron and neutral atomic nitrogen in plasma near the condensation surface, providing few nanometer thick films with 1:1 BN stoichiometry and good thicknesses uniformity over macroscopic areas.« less

[Spatial distribution pattern of Chilo suppressalis analyzed by classical method and geostatistics].

PubMed

Yuan, Zheming; Fu, Wei; Li, Fangyi

2004-04-01

Two original samples of Chilo suppressalis and their grid, random and sequence samples were analyzed by classical method and geostatistics to characterize the spatial distribution pattern of C. suppressalis. The limitations of spatial distribution analysis with classical method, especially influenced by the original position of grid, were summarized rather completely. On the contrary, geostatistics characterized well the spatial distribution pattern, congregation intensity and spatial heterogeneity of C. suppressalis. According to geostatistics, the population was up to Poisson distribution in low density. As for higher density population, its distribution was up to aggregative, and the aggregation intensity and dependence range were 0.1056 and 193 cm, respectively. Spatial heterogeneity was also found in the higher density population. Its spatial correlativity in line direction was more closely than that in row direction, and the dependence ranges in line and row direction were 115 and 264 cm, respectively.

Fraction number of trapped atoms and velocity distribution function in sub-recoil laser cooling scheme

NASA Astrophysics Data System (ADS)

Alekseev, V. A.; Krylova, D. D.

1996-02-01

The analytical investigation of Bloch equations is used to describe the main features of the 1D velocity selective coherent population trapping cooling scheme. For the initial stage of cooling the fraction of cooled atoms is derived in the case of a Gaussian initial velocity distribution. At very long times of interaction the fraction of cooled atoms and the velocity distribution function are described by simple analytical formulae and do not depend on the initial distribution. These results are in good agreement with those of Bardou, Bouchaud, Emile, Aspect and Cohen-Tannoudji based on statistical analysis in terms of Levy flights and with Monte-Carlo simulations of the process.

Importance of spatial autocorrelation in modeling bird distributions at a continental scale

USGS Publications Warehouse

Bahn, V.; O'Connor, R.J.; Krohn, W.B.

2006-01-01

Spatial autocorrelation in species' distributions has been recognized as inflating the probability of a type I error in hypotheses tests, causing biases in variable selection, and violating the assumption of independence of error terms in models such as correlation or regression. However, it remains unclear whether these problems occur at all spatial resolutions and extents, and under which conditions spatially explicit modeling techniques are superior. Our goal was to determine whether spatial models were superior at large extents and across many different species. In addition, we investigated the importance of purely spatial effects in distribution patterns relative to the variation that could be explained through environmental conditions. We studied distribution patterns of 108 bird species in the conterminous United States using ten years of data from the Breeding Bird Survey. We compared the performance of spatially explicit regression models with non-spatial regression models using Akaike's information criterion. In addition, we partitioned the variance in species distributions into an environmental, a pure spatial and a shared component. The spatially-explicit conditional autoregressive regression models strongly outperformed the ordinary least squares regression models. In addition, partialling out the spatial component underlying the species' distributions showed that an average of 17% of the explained variation could be attributed to purely spatial effects independent of the spatial autocorrelation induced by the underlying environmental variables. We concluded that location in the range and neighborhood play an important role in the distribution of species. Spatially explicit models are expected to yield better predictions especially for mobile species such as birds, even in coarse-grained models with a large extent. ?? Ecography.

Atomic vapor quantum memory for a photonic polarization qubit.

PubMed

Cho, Young-Wook; Kim, Yoon-Ho

2010-12-06

We report an experimental realization of an atomic vapor quantum memory for the photonic polarization qubit. The performance of the quantum memory for the polarization qubit, realized with electromagnetically-induced transparency in two spatially separated ensembles of warm Rubidium atoms in a single vapor cell, has been characterized with quantum process tomography. The process fidelity better than 0.91 for up to 16 μs of storage time has been achieved.

Radiative processes of uniformly accelerated entangled atoms

NASA Astrophysics Data System (ADS)

Menezes, G.; Svaiter, N. F.

2016-05-01

We study radiative processes of uniformly accelerated entangled atoms, interacting with an electromagnetic field prepared in the Minkowski vacuum state. We discuss the structure of the rate of variation of the atomic energy for two atoms traveling in different hyperbolic world lines. We identify the contributions of vacuum fluctuations and radiation reaction to the generation of entanglement as well as to the decay of entangled states. Our results resemble the situation in which two inertial atoms are coupled individually to two spatially separated cavities at different temperatures. In addition, for equal accelerations we obtain that one of the maximally entangled antisymmetric Bell state is a decoherence-free state.

Hyperfine state entanglement of spinor BEC and scattering atom

NASA Astrophysics Data System (ADS)

Li, Zhibing; Bao, Chengguang; Zheng, Wei

2018-05-01

Condensate of spin-1 atoms frozen in a unique spatial mode may possess large internal degrees of freedom. The scattering amplitudes of polarized cold atoms scattered by the condensate are obtained with the method of fractional parentage coefficients that treats the spin degrees of freedom rigorously. Channels with scattering cross sections enhanced by the square of the atom number of the condensate are found. Entanglement between the condensate and the propagating atom can be established by scattering. Entanglement entropy is analytically obtained for arbitrary initial states. Our results also give a hint for the establishment of quantum thermal ensembles in the hyperfine space of spin states.

Strain distributions and their influence on electronic structures of WSe2-MoS2 laterally strained heterojunctions

NASA Astrophysics Data System (ADS)

Zhang, Chendong; Li, Ming-Yang; Tersoff, Jerry; Han, Yimo; Su, Yushan; Li, Lain-Jong; Muller, David A.; Shih, Chih-Kang

2018-02-01

Monolayer transition metal dichalcogenide heterojunctions, including vertical and lateral p-n junctions, have attracted considerable attention due to their potential applications in electronics and optoelectronics. Lattice-misfit strain in atomically abrupt lateral heterojunctions, such as WSe2-MoS2, offers a new band-engineering strategy for tailoring their electronic properties. However, this approach requires an understanding of the strain distribution and its effect on band alignment. Here, we study a WSe2-MoS2 lateral heterojunction using scanning tunnelling microscopy and image its moiré pattern to map the full two-dimensional strain tensor with high spatial resolution. Using scanning tunnelling spectroscopy, we measure both the strain and the band alignment of the WSe2-MoS2 lateral heterojunction. We find that the misfit strain induces type II to type I band alignment transformation. Scanning transmission electron microscopy reveals the dislocations at the interface that partially relieve the strain. Finally, we observe a distinctive electronic structure at the interface due to hetero-bonding.

The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

DOE PAGES

Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.

2016-06-23

Previous experimental and theoretical studies suggest that the production of extended defect structures by collision cascades is inhibited in equiatomic NiFe, in comparison to pure Ni. It is also known that the production of such extend defect structures results from the formation of subcascades by high-energy recoils and their subsequent interaction. A detailed analysis of the ballistics of 40 keV cascades in Ni and NiFe is performed to identify the formation of such subcascades and to assess their spatial distribution. It is found that subcascades in Ni and NiFe are created with nearly identical energies and distributed similarly in space.more » This suggests that the differences in production of extended defect structures is not related to processes taking place in the ballistic phase of the collision cascade. Lastly, these results can be generalized to other, more chemically complex, concentrated alloys where the elements have similar atomic numbers, such as many high-entropy alloys.« less

The effect of alloying nickel with iron on the supersonic ballistic stage of high energy displacement cascades

DOE Office of Scientific and Technical Information (OSTI.GOV)

Béland, Laurent Karim; Osetsky, Yuri N.; Stoller, Roger E.

Previous experimental and theoretical studies suggest that the production of extended defect structures by collision cascades is inhibited in equiatomic NiFe, in comparison to pure Ni. It is also known that the production of such extend defect structures results from the formation of subcascades by high-energy recoils and their subsequent interaction. A detailed analysis of the ballistics of 40 keV cascades in Ni and NiFe is performed to identify the formation of such subcascades and to assess their spatial distribution. It is found that subcascades in Ni and NiFe are created with nearly identical energies and distributed similarly in space.more » This suggests that the differences in production of extended defect structures is not related to processes taking place in the ballistic phase of the collision cascade. Lastly, these results can be generalized to other, more chemically complex, concentrated alloys where the elements have similar atomic numbers, such as many high-entropy alloys.« less

Multielemental analysis of prehistoric animal teeth by laser-induced breakdown spectroscopy and laser ablation inductively coupled plasma mass spectrometry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Galiova, Michaela; Kaiser, Jozef; Fortes, Francisco J.

2010-05-01

Laser-induced breakdown spectroscopy (LIBS) and laser ablation (LA) inductively coupled plasma (ICP) mass spectrometry (MS) were utilized for microspatial analyses of a prehistoric bear (Ursus arctos) tooth dentine. The distribution of selected trace elements (Sr, Ba, Fe) was measured on a 26 mmx15 mm large and 3 mm thick transverse cross section of a canine tooth. The Na and Mg content together with the distribution of matrix elements (Ca, P) was also monitored within this area. The depth of the LIBS craters was measured with an optical profilometer. As shown, both LIBS and LA-ICP-MS can be successfully used for themore » fast, spatially resolved analysis of prehistoric teeth samples. In addition to microchemical analysis, the sample hardness was calculated using LIBS plasma ionic-to-atomic line intensity ratios of Mg (or Ca). To validate the sample hardness calculations, the hardness was also measured with a Vickers microhardness tester.« less

Mapping Hydrophobicity on the Protein Molecular Surface at Atom-Level Resolution

PubMed Central

Nicolau Jr., Dan V.; Paszek, Ewa; Fulga, Florin; Nicolau, Dan V.

2014-01-01

A precise representation of the spatial distribution of hydrophobicity, hydrophilicity and charges on the molecular surface of proteins is critical for the understanding of the interaction with small molecules and larger systems. The representation of hydrophobicity is rarely done at atom-level, as this property is generally assigned to residues. A new methodology for the derivation of atomic hydrophobicity from any amino acid-based hydrophobicity scale was used to derive 8 sets of atomic hydrophobicities, one of which was used to generate the molecular surfaces for 35 proteins with convex structures, 5 of which, i.e., lysozyme, ribonuclease, hemoglobin, albumin and IgG, have been analyzed in more detail. Sets of the molecular surfaces of the model proteins have been constructed using spherical probes with increasingly large radii, from 1.4 to 20 Å, followed by the quantification of (i) the surface hydrophobicity; (ii) their respective molecular surface areas, i.e., total, hydrophilic and hydrophobic area; and (iii) their relative densities, i.e., divided by the total molecular area; or specific densities, i.e., divided by property-specific area. Compared with the amino acid-based formalism, the atom-level description reveals molecular surfaces which (i) present an approximately two times more hydrophilic areas; with (ii) less extended, but between 2 to 5 times more intense hydrophilic patches; and (iii) 3 to 20 times more extended hydrophobic areas. The hydrophobic areas are also approximately 2 times more hydrophobicity-intense. This, more pronounced “leopard skin”-like, design of the protein molecular surface has been confirmed by comparing the results for a restricted set of homologous proteins, i.e., hemoglobins diverging by only one residue (Trp37). These results suggest that the representation of hydrophobicity on the protein molecular surfaces at atom-level resolution, coupled with the probing of the molecular surface at different geometric resolutions, can capture processes that are otherwise obscured to the amino acid-based formalism. PMID:25462574

Diffracted field distributions from the HE11 mode in a hollow optical fibre for an atomic funnel

NASA Astrophysics Data System (ADS)

Ni, Yun; Liu, Nanchun; Yin, Jianping

2003-06-01

The diffracted near field distribution from an LP01 mode in a hollow optical fibre was recently calculated using a scalar model based on the weakly waveguiding approximation (Yoo et al 1999 J. Opt. B: Quantum Semiclass. Opt. 1 364). It showed a dominant Gaussian-like distribution with an increased axial intensity in the central region (not a doughnut-like distribution), so the diffracted output beam from the hollow fibre cannot be used to form an atomic funnel. Using exact solutions of the Maxwell equations based on a vector model, however, we calculate the electric field and intensity distributions of the HE11 mode in the same hollow fibre and study the diffracted near- and far-field distributions of the HE11-mode output beam under the Fresnel approximation. We analyse and compare the differences between the output beams from the HE11 and LP01 modes. Our study shows that both the near- and far-field intensity distributions of the HE11-mode output beam are doughnut-like and can be used to form a simple atomic funnel. However, it is not suitable to use the weakly waveguiding approximation to calculate the diffracted near-field distribution of the hollow fibre due to the greater refractive-index difference between the hollow region (n0 = 1) and the core (n1 = 1.45 or 1.5). Finally, the 3D intensity distribution of the HE11-mode output beam is modelled and the corresponding optical potentials for cold atoms are calculated. Some potential applications of the HE11-mode output beam in an atomic guide and funnel are briefly discussed.

Growth and Deposition of Inorganic Nutrient Elements in Developing Leaves of Zea mays L. 1

PubMed Central

Meiri, Avraham; Silk, Wendy Kuhn; Läuchli, André

1992-01-01

Spatial distributions of growth and of the concentration of some inorganic nutrient elements were analyzed in developing leaves of maize (Zea mays L.). Growth was analyzed by pinprick experiments with numerical analysis to characterize fields of velocity and relative elemental elongation rate. Inductively coupled plasma and atomic emission spectroscopy were used to measure nutrients extracted from segments of leaf tissue collected by position. Leaves 7 and 8, both elongating 3 millimeters per hour had maximum relative elemental growth rates of 0.06 to 0.08 millimeters per hour with maximum rates 20 to 50 millimeters from the node and cessation of growth by 90 millimeters from the node. Spatial distribution of dry weight density revealed that the rate of biomass deposition was maximum in the most rapidly expanding region and continued beyond the elongation zone. The nutrient elements K, Cl, Ca, Mg, and P showed different distribution patterns of ion density (on a dry weight basis). K and Cl had minimal density in the leaf tips; K density was maximum in the growing region, whereas Cl density was maximum at the region of growth cessation. Ca, Mg, and P had relatively high densities at the base of the elongation zone near the node and also in the tip regions. Near the node, P and Mg densities were higher in the young, growing leaves, whereas Ca density near the node was higher in older leaves that had completed elongation. Deposition rates of all nutrients were greatest in the region of maximum elongation rate. PMID:16669027

Benchmarking atomic physics models for magnetically confined fusion plasma physics experiments

DOE Office of Scientific and Technical Information (OSTI.GOV)

May, M.J.; Finkenthal, M.; Soukhanovskii, V.

In present magnetically confined fusion devices, high and intermediate {ital Z} impurities are either puffed into the plasma for divertor radiative cooling experiments or are sputtered from the high {ital Z} plasma facing armor. The beneficial cooling of the edge as well as the detrimental radiative losses from the core of these impurities can be properly understood only if the atomic physics used in the modeling of the cooling curves is very accurate. To this end, a comprehensive experimental and theoretical analysis of some relevant impurities is undertaken. Gases (Ne, Ar, Kr, and Xe) are puffed and nongases are introducedmore » through laser ablation into the FTU tokamak plasma. The charge state distributions and total density of these impurities are determined from spatial scans of several photometrically calibrated vacuum ultraviolet and x-ray spectrographs (3{endash}1600 {Angstrom}), the multiple ionization state transport code transport code (MIST) and a collisional radiative model. The radiative power losses are measured with bolometery, and the emissivity profiles were measured by a visible bremsstrahlung array. The ionization balance, excitation physics, and the radiative cooling curves are computed from the Hebrew University Lawrence Livermore atomic code (HULLAC) and are benchmarked by these experiments. (Supported by U.S. DOE Grant No. DE-FG02-86ER53214 at JHU and Contract No. W-7405-ENG-48 at LLNL.) {copyright} {ital 1999 American Institute of Physics.}« less

Important role of the non-uniform Fe distribution for the ferromagnetism in group-IV-based ferromagnetic semiconductor GeFe

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wakabayashi, Yuki K.; Ohya, Shinobu; Ban, Yoshisuke

2014-11-07

We investigate the growth-temperature dependence of the properties of the group-IV-based ferromagnetic semiconductor Ge{sub 1−x}Fe{sub x} films (x = 6.5% and 10.5%), and reveal the correlation of the magnetic properties with the lattice constant, Curie temperature (T{sub C}), non-uniformity of Fe atoms, stacking-fault defects, and Fe-atom locations. While T{sub C} strongly depends on the growth temperature, we find a universal relationship between T{sub C} and the lattice constant, which does not depend on the Fe content x. By using the spatially resolved transmission-electron diffractions combined with the energy-dispersive X-ray spectroscopy, we find that the density of the stacking-fault defects and the non-uniformitymore » of the Fe concentration are correlated with T{sub C}. Meanwhile, by using the channeling Rutherford backscattering and particle-induced X-ray emission measurements, we clarify that about 15% of the Fe atoms exist on the tetrahedral interstitial sites in the Ge{sub 0.935}Fe{sub 0.065} lattice and that the substitutional Fe concentration is not correlated with T{sub C}. Considering these results, we conclude that the non-uniformity of the Fe concentration plays an important role in determining the ferromagnetic properties of GeFe.« less

Pathways for Energization of Ca in Mercury's Exosphere

NASA Technical Reports Server (NTRS)

Killen, Rosemary M.

2015-01-01

We investigate the possible pathways to produce the extreme energy observed in the calcium exosphere of Mercury. Any mechanism must explain the facts that Ca in Mercury's exosphere is extremely hot, that it is seen almost exclusively on the dawnside of the planet, and that its content varies seasonally, not sporadically. Simple diatomic molecules or their clusters are considered, focusing on calcium oxides while acknowledging that Ca sulfides may also be the precursor molecules. We first discuss impact vaporization to justify the assumption that CaO and Ca-oxide clusters are expected from impacts on Mercury. Then we discuss processes by which the atomic Ca is energized to a 70,000 K gas. The processes considered are (1) electron-impact dissociation of CaO molecules, (2) spontaneous dissociation of Ca-bearing molecules following impact vaporization, (3) shock-induced dissociative ionization, (4) photodissociation and (5) sputtering. We conclude that electron-impact dissociation cannot produce the required abundance of Ca, and sputtering cannot reproduce the observed spatial and temporal variation that is measured. Spontaneous dissociation is unlikely to result in the high energy that is seen. Of the two remaining processes, shock induced dissociative ionization produces the required energy and comes close to producing the required abundance, but rates are highly dependent on the incoming velocity distribution of the impactors. Photodissociation probably can produce the required abundance of Ca, but simulations show that photodissociation cannot reproduce the observed spatial distribution.

Concerning neutral flux shielding in the U-3M torsatron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dreval, N. B., E-mail: mdreval@kipt.kharkov.ua

2015-03-15

The volume of the torsatron U-3M vacuum chamber is about 70 m{sup 3}, whereas the plasma volume is about 0.3 m{sup 3}. The large buffer volume of the chamber serves as a source of a substantial neutral flux into the U-3M plasma. A fraction of this flux falls onto the torsatron helical coils located in front of the plasma, due to which the dynamics of neutral influx into the plasma modifies. The shielding of the molecular flux from the buffer volume into the plasma is estimated using numerical calculations. Only about 10% of the incident flux reaches the plasma volume.more » Estimates show that about 20% of atoms escape beyond the helical coils without colliding with them. Under these conditions, the helical coils substantially affect the neutral flux. A discharge regime with a hot low-density plasma produced by a frame antenna is considered. The spatial distribution of the molecular density produced in this regime by the molecular flux from the chamber buffer volume after it has passed between the helical coils is calculated. The contributions of the fluxes emerging from the side and inner surfaces of the helical coils are considered. The calculations show that the shape of the spatial distribution of the molecular density differs substantially from the shape of the magnetic surfaces.« less

Chemistry in the Dusty Coma of Comet Hale-Bopp

NASA Astrophysics Data System (ADS)

Boice, D. C.; Cochran, A. L.; Disanti, M. A.; Huebner, W. F.

1998-09-01

Recent progress on a multifluid, hydrodynamic model is presented for the dusty gas flow in the inner coma of comet Hale-Bopp at several heliocentric distances. The simulations are based on a 1-D neutral coma model with detailed photo and gas-phase chemistry and dust entrainment by the gas, a separate energy balance for the electrons, separate flow of the neutral gas, fast neutral atomic and molecular hydrogen, and dust entrainment with fragmentation. The model accounts for three sources of gas release: sublimation from surface ices, transport of gas from subsurface regions through the surface, and release of gas from dust in the coma. This permits a consistent study of the importance and strength of each possible source for a variety of gas-phase species. The simulations allow a study of the changes with heliocentric distance of features within a cometary coma, e.g., spatial distributions of gas-phase species and dust of various sizes and the velocity and temperature profiles. In particular, the model is used to probe spatial distributions of gas-phase species (e.g., CN, CH, C_3, C_2, HCN, HNC, CO) and dust, and the velocity and temperature structure to understand the complex gas-phase chemistry that occurs in the inner coma. Comparisons with observations are made where available to characterize the environment surrounding comet Hale-Bopp and to aid in assimilating a variety of diverse observations of this unique comet.

Composition and conductance distributions of single GeSi quantum rings studied by conductive atomic force microscopy combined with selective chemical etching.

PubMed

Lv, Y; Cui, J; Jiang, Z M; Yang, X J

2013-02-15

Atomic force microscopy imaging combined with selective chemical etching is employed to quantitatively investigate three-dimensional (3D) composition distributions of single GeSi quantum rings (QRs). In addition, the 3D quantitative composition distributions and the corresponding conductance distributions are simultaneously obtained on the same single GeSi QRs by conductive atomic force microscopy combined with selective chemical etching, allowing us to investigate the correlations between the conductance and composition distributions of single QRs. The results show that the QRs' central holes have higher Ge content, but exhibit lower conductance, indicating that the QRs' conductance distribution is not consistent with their composition distribution. By comparing the topography, composition and conductance profiles of the same single QRs before and after different etching processes, it is found that the conductance distributions of GeSi QRs do not vary with the change of composition distribution. Instead, the QRs' conductance distributions are found to be consistent with their topographic shapes, which can be supposed to be due to the shape determined electronic structures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

McCurdy, C. W.; Rescigno, T. N.; Trevisan, C. S.

A dramatic symmetry breaking in K-shell photoionization of the CF 4 molecule in which a core-hole vacancy is created in one of four equivalent fluorine atoms is displayed in the molecular frame angular distribution of the photoelectrons. In observing the photoejected electron in coincidence with an F + atomic ion after Auger decay we see how selecting the dissociation path where the core hole was localized was almost exclusively on that atom. A combination of measurements and ab initio calculations of the photoelectron angular distribution in the frame of the recoiling CF 3 + and F + atoms elucidates themore » underlying physics that derives from the Ne-like valence structure of the F(1s -1) core-excited atom.« less

Optimal atomic structure of amorphous silicon obtained from density functional theory calculations

NASA Astrophysics Data System (ADS)

Pedersen, Andreas; Pizzagalli, Laurent; Jónsson, Hannes

2017-06-01

Atomic structure of amorphous silicon consistent with several reported experimental measurements has been obtained from annealing simulations using electron density functional theory calculations and a systematic removal of weakly bound atoms. The excess energy and density with respect to the crystal are well reproduced in addition to radial distribution function, angular distribution functions, and vibrational density of states. No atom in the optimal configuration is locally in a crystalline environment as deduced by ring analysis and common neighbor analysis, but coordination defects are present at a level of 1%-2%. The simulated samples provide structural models of this archetypal disordered covalent material without preconceived notion of the atomic ordering or fitting to experimental data.

Non-thermal distribution of O(1D) atoms in the night-time thermosphere

NASA Technical Reports Server (NTRS)

Yee, Jeng-Hwa

1988-01-01

The 6300 A O(1D-3P) emission has been used for many years to remotely monitor the thermospheric temperature from the Doppler width of its line profile. The O(1D) atoms in the nighttime thermosphere are initially produced by the dissociative recombination of O2(+) ions with kinetic energy much greater than the thermal energy of the ambient neutrals. The validity of the technique to monitor neutral ambient temperature by measuring O(1D) 6300 A emission depends on the degree of thermalization of the O(1D) atoms. The object of this study is to calculate the velocity distribution of the O(1D) atoms and to examine the effect of nonthermal distribution on the nighttime thermospheric neutral temperature determined.

High quality Gaussian basis sets for fourth-row atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Faegri, Knut, Jr.

1992-01-01

Energy optimized Gaussian basis sets of triple-zeta quality for the atoms Rb-Xe have been derived. Two series of basis sets are developed: (24s 16p 10d) and (26s 16p 10d) sets which were expanded to 13d and 19p functions as the 4d and 5p shells become occupied. For the atoms lighter than Cd, the (24s 16p 10d) sets with triple-zeta valence distributions are higher in energy than the corresponding double-zeta distribution. To ensure a triple-zeta distribution and a global energy minimum, the (26s 16p 10d) sets were derived. Total atomic energies from the largest basis sets are between 198 and 284 (mu)E(sub H) above the numerical Hartree-Fock energies.

Atomic structure and glass forming ability of Cu46Zr46Al8 bulk metallic glass

NASA Astrophysics Data System (ADS)

Wang, X. D.; Jiang, Q. K.; Cao, Q. P.; Bednarcik, J.; Franz, H.; Jiang, J. Z.

2008-11-01

By using a combination of state-of-the-art experimental and computational methods, the high glass forming ability (GFA) of Cu46Zr46Al8 alloy is studied from the view of its atomic packing. Three-dimensional atomic configuration is well established. It is found that Al atoms almost homogeneously distribute around Cu and Zr atoms without segregation, causing the local environment around Cu and Zr atoms in Cu46Zr46Al8 bulk metallic glass different from that of the major competing phase of Cu10Zr7. Furthermore, the addition of Al not only increases the amount of icosahedronlike clusters but also makes them more homogeneous distribution, which can enhance the GFA by increasing the structural incompatibility with the competing crystalline phases.

IR investigation on silicon oxycarbide structure obtained from precursors with 1:1 silicon to carbon atoms ratio and various carbon atoms distribution

NASA Astrophysics Data System (ADS)

Niemiec, Wiktor; Szczygieł, Przemysław; Jeleń, Piotr; Handke, Mirosław

2018-07-01

Silicon oxycarbide is a material with a number of advantageous properties that strongly depend on its structure. The most common approach to its tailoring is based on varying the silicon to carbon atoms ratio in the preceramic polymeric precursor. This work is the first comparison of the materials obtained from precursors with the same Si to C atoms ratio, but with various distribution of these atoms in the preceramic polymer. In addition to standard mixtures of monomers containing single silicon atom, a number of monomers with high molar masses and well defined structure was used. The IR was used to investigate the structure of the precursors and materials obtained after their annealing in 800 °C. The results show, that not only the distribution of carbon containing groups among the monomers is important, but also the (in)ability of these groups to end up in each other vicinity in the precursor as well as the degree of condensation of each structural unit.

Limit on Excitation and Stabilization of Atoms in Intense Optical Laser Fields.

PubMed

Zimmermann, H; Meise, S; Khujakulov, A; Magaña, A; Saenz, A; Eichmann, U

2018-03-23

Atomic excitation in strong optical laser fields has been found to take place even at intensities exceeding saturation. The concomitant acceleration of the atom in the focused laser field has been considered a strong link to, if not proof of, the existence of the so-called Kramers-Henneberger (KH) atom, a bound atomic system in an intense laser field. Recent findings have moved the importance of the KH atom from being purely of theoretical interest toward real world applications; for instance, in the context of laser filamentation. Considering this increasing importance, we explore the limits of strong-field excitation in optical fields, which are basically imposed by ionization through the spatial field envelope and the field propagation.

Spatial analysis of cities using Renyi entropy and fractal parameters

NASA Astrophysics Data System (ADS)

Chen, Yanguang; Feng, Jian

2017-12-01

The spatial distributions of cities fall into two groups: one is the simple distribution with characteristic scale (e.g. exponential distribution), and the other is the complex distribution without characteristic scale (e.g. power-law distribution). The latter belongs to scale-free distributions, which can be modeled with fractal geometry. However, fractal dimension is not suitable for the former distribution. In contrast, spatial entropy can be used to measure any types of urban distributions. This paper is devoted to generalizing multifractal parameters by means of dual relation between Euclidean and fractal geometries. The main method is mathematical derivation and empirical analysis, and the theoretical foundation is the discovery that the normalized fractal dimension is equal to the normalized entropy. Based on this finding, a set of useful spatial indexes termed dummy multifractal parameters are defined for geographical analysis. These indexes can be employed to describe both the simple distributions and complex distributions. The dummy multifractal indexes are applied to the population density distribution of Hangzhou city, China. The calculation results reveal the feature of spatio-temporal evolution of Hangzhou's urban morphology. This study indicates that fractal dimension and spatial entropy can be combined to produce a new methodology for spatial analysis of city development.

Effects of Acids, Bases, and Heteroatoms on Proximal Radial Distribution Functions for Proteins.

PubMed

Nguyen, Bao Linh; Pettitt, B Montgomery

2015-04-14

The proximal distribution of water around proteins is a convenient method of quantifying solvation. We consider the effect of charged and sulfur-containing amino acid side-chain atoms on the proximal radial distribution function (pRDF) of water molecules around proteins using side-chain analogs. The pRDF represents the relative probability of finding any solvent molecule at a distance from the closest or surface perpendicular protein atom. We consider the near-neighbor distribution. Previously, pRDFs were shown to be universal descriptors of the water molecules around C, N, and O atom types across hundreds of globular proteins. Using averaged pRDFs, a solvent density around any globular protein can be reconstructed with controllable relative error. Solvent reconstruction using the additional information from charged amino acid side-chain atom types from both small models and protein averages reveals the effects of surface charge distribution on solvent density and improves the reconstruction errors relative to simulation. Solvent density reconstructions from the small-molecule models are as effective and less computationally demanding than reconstructions from full macromolecular models in reproducing preferred hydration sites and solvent density fluctuations.

The Potential for Spatial Distribution Indices to Signal Thresholds in Marine Fish Biomass

PubMed Central

Reuchlin-Hugenholtz, Emilie

2015-01-01

The frequently observed positive relationship between fish population abundance and spatial distribution suggests that changes in distribution can be indicative of trends in abundance. If contractions in spatial distribution precede declines in spawning stock biomass (SSB), spatial distribution reference points could complement the SSB reference points that are commonly used in marine conservation biology and fisheries management. When relevant spatial distribution information is integrated into fisheries management and recovery plans, risks and uncertainties associated with a plan based solely on the SSB criterion would be reduced. To assess the added value of spatial distribution data, we examine the relationship between SSB and four metrics of spatial distribution intended to reflect changes in population range, concentration, and density for 10 demersal populations (9 species) inhabiting the Scotian Shelf, Northwest Atlantic. Our primary purpose is to assess their potential to serve as indices of SSB, using fisheries independent survey data. We find that metrics of density offer the best correlate of spawner biomass. A decline in the frequency of encountering high density areas is associated with, and in a few cases preceded by, rapid declines in SSB in 6 of 10 populations. Density-based indices have considerable potential to serve both as an indicator of SSB and as spatially based reference points in fisheries management. PMID:25789624

Design and implementation of a distributed large-scale spatial database system based on J2EE

NASA Astrophysics Data System (ADS)

Gong, Jianya; Chen, Nengcheng; Zhu, Xinyan; Zhang, Xia

2003-03-01

With the increasing maturity of distributed object technology, CORBA, .NET and EJB are universally used in traditional IT field. However, theories and practices of distributed spatial database need farther improvement in virtue of contradictions between large scale spatial data and limited network bandwidth or between transitory session and long transaction processing. Differences and trends among of CORBA, .NET and EJB are discussed in details, afterwards the concept, architecture and characteristic of distributed large-scale seamless spatial database system based on J2EE is provided, which contains GIS client application, web server, GIS application server and spatial data server. Moreover the design and implementation of components of GIS client application based on JavaBeans, the GIS engine based on servlet, the GIS Application server based on GIS enterprise JavaBeans(contains session bean and entity bean) are explained.Besides, the experiments of relation of spatial data and response time under different conditions are conducted, which proves that distributed spatial database system based on J2EE can be used to manage, distribute and share large scale spatial data on Internet. Lastly, a distributed large-scale seamless image database based on Internet is presented.

Tunneling spectroscopy of a phosphorus impurity atom on the Ge(111)-(2 × 1) surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Savinov, S. V.; Oreshkin, A. I., E-mail: oreshkin@spmlab.phys.msu.su, E-mail: oreshkin@spmlab.ru; Oreshkin, S. I.

2015-06-15

We numerically model the Ge(111)-(2 × 1) surface electronic properties in the vicinity of a P donor impurity atom located near the surface. We find a notable increase in the surface local density of states (LDOS) around the surface dopant near the bottom of the empty surface state band π*, which we call a split state due to its limited spatial extent and energetic position inside the band gap. We show that despite the well-established bulk donor impurity energy level position at the very bottom of the conduction band, a surface donor impurity on the Ge(111)-(2 × 1) surface mightmore » produce an energy level below the Fermi energy, depending on the impurity atom local environment. It is demonstrated that the impurity located in subsurface atomic layers is visible in a scanning tunneling microscope (STM) experiment on the Ge(111)-(2 × 1) surface. The quasi-1D character of the impurity image, observed in STM experiments, is confirmed by our computer simulations with a note that a few π-bonded dimer rows may be affected by the presence of the impurity atom. We elaborate a model that allows classifying atoms on the experimental low-temperature STM image. We show the presence of spatial oscillations of the LDOS by the density-functional theory method.« less

Wigner functions for nonclassical states of a collection of two-level atoms

NASA Technical Reports Server (NTRS)

Agarwal, G. S.; Dowling, Jonathan P.; Schleich, Wolfgang P.

1993-01-01

The general theory of atomic angular momentum states is used to derive the Wigner distribution function for atomic angular momentum number states, coherent states, and squeezed states. These Wigner functions W(theta,phi) are represented as a pseudo-probability distribution in spherical coordinates theta and phi on the surface of a sphere of radius the square root of j(j +1) where j is the total angular momentum.

Diatomic Metasurface for Vectorial Holography.

PubMed

Deng, Zi-Lan; Deng, Junhong; Zhuang, Xin; Wang, Shuai; Li, Kingfai; Wang, Yao; Chi, Yihui; Ye, Xuan; Xu, Jian; Wang, Guo Ping; Zhao, Rongkuo; Wang, Xiaolei; Cao, Yaoyu; Cheng, Xing; Li, Guixin; Li, Xiangping

2018-05-09

The emerging metasurfaces with the exceptional capability of manipulating an arbitrary wavefront have revived the holography with unprecedented prospects. However, most of the reported metaholograms suffer from limited polarization controls for a restrained bandwidth in addition to their complicated meta-atom designs with spatially variant dimensions. Here, we demonstrate a new concept of vectorial holography based on diatomic metasurfaces consisting of metamolecules formed by two orthogonal meta-atoms. On the basis of a simply linear relationship between phase and polarization modulations with displacements and orientations of identical meta-atoms, active diffraction of multiple polarization states and reconstruction of holographic images are simultaneously achieved, which is robust against both incident angles and wavelengths. Leveraging this appealing feature, broadband vectorial holographic images with spatially varying polarization states and dual-way polarization switching functionalities have been demonstrated, suggesting a new route to achromatic diffractive elements, polarization optics, and ultrasecure anticounterfeiting.

Real-space imaging of a topologically protected edge state with ultracold atoms in an amplitude-chirped optical lattice

PubMed Central

Leder, Martin; Grossert, Christopher; Sitta, Lukas; Genske, Maximilian; Rosch, Achim; Weitz, Martin

2016-01-01

To describe a mobile defect in polyacetylene chains, Su, Schrieffer and Heeger formulated a model assuming two degenerate energy configurations that are characterized by two different topological phases. An immediate consequence was the emergence of a soliton-type edge state located at the boundary between two regions of different configurations. Besides giving first insights in the electrical properties of polyacetylene materials, interest in this effect also stems from its close connection to states with fractional charge from relativistic field theory. Here, using a one-dimensional optical lattice for cold rubidium atoms with a spatially chirped amplitude, we experimentally realize an interface between two spatial regions of different topological order in an atomic physics system. We directly observe atoms confined in the edge state at the intersection by optical real-space imaging and characterize the state as well as the size of the associated energy gap. Our findings hold prospects for the spectroscopy of surface states in topological matter and for the quantum simulation of interacting Dirac systems. PMID:27767054

Assessing trace metal pollution through high spatial resolution of surface sediments along the Tunis Gulf coast (southwestern Mediterranean).

PubMed

Ennouri, Rym; Zaaboub, Noureddine; Fertouna-Bellakhal, Mouna; Chouba, Lassad; Aleya, Lotfi

2016-03-01

Tunis Gulf (northern Tunisia, Mediterranean Sea) is of great economic importance due to its abundant fish resources. Rising urbanization and industrial development in the surrounding area have resulted in an increase in untreated effluents and domestic waste discharged into the gulf via its tributary streams. Metal (Cd, Pb, Hg, Cu, Zn, Fe, and Mn) and major element (Mg, Ca, Na, and K) concentrations were measured in the grain fine fraction <63 μm by atomic absorption spectrophotometry. Results showed varying spatial distribution patterns for metals, indicating complex origins and controlling factors such as anthropogenic activities. Sediment metal concentrations are ranked as follows: Fe > Mg > Zn > Mn > Pb > Cu > Cd > Hg. Metals tend to be concentrated in proximity to source points, suggesting that the mineral enrichment elements come from sewage of coastal towns and pollution from industrial dumps and located along local rivers, lagoons, and on the gulf shore itself. This study showed that trace metal and major element concentrations in surface sediments along the Tunis Gulf shores were lower than those found in other coastal areas of the Mediterranean Sea.

Mapping stress in polycrystals with sub-10 nm spatial resolution.

PubMed

Polop, C; Vasco, E; Perrino, A P; Garcia, R

2017-09-28

From aircraft to electronic devices, and even in Formula One cars, stress is the main cause of degraded material performance and mechanical failure in applications incorporating thin films and coatings. Over the last two decades, the scientific community has searched for the mechanisms responsible for stress generation in films, with no consensus in sight. The main difficulty is that most current models of stress generation, while atomistic in nature, are based on macroscopic measurements. Here, we demonstrate a novel method for mapping the stress at the surface of polycrystals with sub-10 nm spatial resolution. This method consists of transforming elastic modulus maps measured by atomic force microscopy techniques into stress maps via the local stress-stiffening effect. The validity of this approach is supported by finite element modeling simulations. Our study reveals a strongly heterogeneous distribution of intrinsic stress in polycrystalline Au films, with gradients as high as 100 MPa nm -1 near the grain boundaries. Consequently, our study discloses the limited capacity of macroscopic stress assessments and standard tests to discriminate among models, and the great potential of nanometer-scale stress mapping.

Assessment of dry and wet atmospheric deposits of radioactive aerosols: application to Fukushima radiocaesium fallout.

PubMed

Gonze, Marc-André; Renaud, Philippe; Korsakissok, Irène; Kato, Hiroaki; Hinton, Thomas G; Mourlon, Christophe; Simon-Cornu, Marie

2014-10-07

The Fukushima Dai-ichi nuclear accident led to massive atmospheric deposition of radioactive substances onto the land surfaces. The spatial distribution of deposits has been estimated by Japanese authorities for gamma-emitting radionuclides through either airborne monitoring surveys (since April 2011) or in situ gamma-ray spectrometry of bare soil areas (since summer 2011). We demonstrate that significant differences exist between the two surveys for radiocaesium isotopes and that these differences can be related to dry deposits through the use of physically based relationships involving aerosol deposition velocities. The methodology, which has been applied to cesium-134 and cesium-137 deposits within 80-km of the nuclear site, provides reasonable spatial estimations of dry and wet deposits that are discussed and compared to atmospheric numerical simulations from the Japanese Atomic Energy Agency and the French Institute of Radioprotection and Nuclear Safety. As a complementary approach to numerical simulations, this field-based analysis has the possibility to contribute information that can be applied to the understanding and assessment of dose impacts to human populations and the environment around Fukushima.