Precision determination of the πN scattering lengths and the charged πNN coupling constant

NASA Astrophysics Data System (ADS)

Ericson, T. E. O.; Loiseau, B.; Thomas, A. W.

2000-01-01

We critically evaluate the isovector GMO sumrule for the charged πNN coupling constant using recent precision data from π-p and π-d atoms and with careful attention to systematic errors. From the π-d scattering length we deduce the pion-proton scattering lengths 1/2(aπ-p + aπ-n) = (-20 +/- 6(statistic)+/-10 (systematic) .10-4m-1πc and 1/2(aπ-p - aπ-n) = (903 +/- 14) . 10-4m-1πc. From this a direct evaluation gives g2c(GMO)/4π = 14.20 +/- 0.07 (statistic)+/-0.13(systematic) or f2c/4π = 0.0786 +/- 0.0008.

s -wave scattering length of a Gaussian potential

NASA Astrophysics Data System (ADS)

Jeszenszki, Peter; Cherny, Alexander Yu.; Brand, Joachim

2018-04-01

We provide accurate expressions for the s -wave scattering length for a Gaussian potential well in one, two, and three spatial dimensions. The Gaussian potential is widely used as a pseudopotential in the theoretical description of ultracold-atomic gases, where the s -wave scattering length is a physically relevant parameter. We first describe a numerical procedure to compute the value of the s -wave scattering length from the parameters of the Gaussian, but find that its accuracy is limited in the vicinity of singularities that result from the formation of new bound states. We then derive simple analytical expressions that capture the correct asymptotic behavior of the s -wave scattering length near the bound states. Expressions that are increasingly accurate in wide parameter regimes are found by a hierarchy of approximations that capture an increasing number of bound states. The small number of numerical coefficients that enter these expressions is determined from accurate numerical calculations. The approximate formulas combine the advantages of the numerical and approximate expressions, yielding an accurate and simple description from the weakly to the strongly interacting limit.

Direct comparison of Fe-Cr unmixing characterization by atom probe tomography and small angle scattering

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

Couturier, Laurent, E-mail: laurent.couturier55@ho

The fine microstructure obtained by unmixing of a solid solution either by classical precipitation or spinodal decomposition is often characterized either by small angle scattering or atom probe tomography. This article shows that a common data analysis framework can be used to analyze data obtained from these two techniques. An example of the application of this common analysis is given for characterization of the unmixing of the Fe-Cr matrix of a 15-5 PH stainless steel during long-term ageing at 350 °C and 400 °C. A direct comparison of the Cr composition fluctuations amplitudes and characteristic lengths obtained with both techniquesmore » is made showing a quantitative agreement for the fluctuation amplitudes. The origin of the discrepancy remaining for the characteristic lengths is discussed. - Highlights: •Common analysis framework for atom probe tomography and small angle scattering •Comparison of same microstructural characteristics obtained using both techniques •Good correlation of Cr composition fluctuations amplitudes from both techniques •Good correlation of Cr composition fluctuations amplitudes with classic V parameter.« less

Fast oxygen diffusion in bismuth oxide probed by quasielastic neutron scattering

DOE PAGES

Mamontov, Eugene

2016-09-24

In this paper, we present the first, to our knowledge, study of solid state oxygen translational diffusion by quasielastic neutron scattering. Such studies in the past might have been precluded by relatively low diffusivities of oxygen anions in the temperature range amenable to neutron scattering experiments. To explore the potential of the quasielastic scattering technique, which can deduce atomic diffusion jump length of oxygen anions through the momentum transfer dependence of the scattering signal, we have selected the fastest known oxygen conductor, bismuth oxide. Finally, we have found the oxygen anion jump length in excellent agreement with the nearest oxygen-vacancymore » distance in the anion sublattice of the fluorite-related structure of bismuth oxide.« less

Remarks on the pion-nucleon σ-term

NASA Astrophysics Data System (ADS)

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meißner, Ulf-G.

2016-09-01

The pion-nucleon σ-term can be stringently constrained by the combination of analyticity, unitarity, and crossing symmetry with phenomenological information on the pion-nucleon scattering lengths. Recently, lattice calculations at the physical point have been reported that find lower values by about 3σ with respect to the phenomenological determination. We point out that a lattice measurement of the pion-nucleon scattering lengths could help resolve the situation by testing the values extracted from spectroscopy measurements in pionic atoms.

Quantum-Fluctuation-Driven Crossover from a Dilute Bose-Einstein Condensate to a Macrodroplet in a Dipolar Quantum Fluid

NASA Astrophysics Data System (ADS)

Chomaz, L.; Baier, S.; Petter, D.; Mark, M. J.; Wächtler, F.; Santos, L.; Ferlaino, F.

2016-10-01

In a joint experimental and theoretical effort, we report on the formation of a macrodroplet state in an ultracold bosonic gas of erbium atoms with strong dipolar interactions. By precise tuning of the s -wave scattering length below the so-called dipolar length, we observe a smooth crossover of the ground state from a dilute Bose-Einstein condensate to a dense macrodroplet state of more than 2 ×104 atoms . Based on the study of collective excitations and loss features, we prove that quantum fluctuations stabilize the ultracold gas far beyond the instability threshold imposed by mean-field interactions. Finally, we perform expansion measurements, showing that although self-bound solutions are prevented by losses, the interplay between quantum stabilization and losses results in a minimal time-of-flight expansion velocity at a finite scattering length.

Precision calculation of threshold πd scattering, πN scattering lengths, and the GMO sum rule

NASA Astrophysics Data System (ADS)

Baru, V.; Hanhart, C.; Hoferichter, M.; Kubis, B.; Nogga, A.; Phillips, D. R.

2011-12-01

We use chiral perturbation theory (ChPT) to calculate the πd scattering length with an accuracy of a few percent, including isospin-violating corrections in both the two- and three-body sectors. In particular, we provide the technical details of a recent letter (Baru et al., 2011) [1], where we used data on pionic deuterium and pionic hydrogen atoms to extract the isoscalar and isovector pion-nucleon scattering lengths a and a. We study isospin-breaking contributions to the three-body part of a due to mass differences, isospin violation in the πN scattering lengths, and virtual photons. This last class of effects is ostensibly infrared enhanced due to the smallness of the deuteron binding energy. However, we show that the leading virtual-photon effects that might undergo such enhancement cancel, and hence the standard ChPT counting provides a reliable estimate of isospin violation in a due to virtual photons. Finally, we discuss the validity of the Goldberger-Miyazawa-Oehme sum rule in the presence of isospin violation, and use it to determine the charged-pion-nucleon coupling constant.

Scattering length of composite bosons in the three-dimensional BCS-BEC crossover

NASA Astrophysics Data System (ADS)

Salasnich, L.; Bighin, G.

2015-03-01

We study the zero-temperature grand potential of a three-dimensional superfluid made of ultracold fermionic alkali-metal atoms in the BCS-BEC crossover. In particular, we analyze the zero-point energy of both fermionic single-particle excitations and bosonic collective excitations. The bosonic elementary excitations, which are crucial to obtain a reliable equation of state in the Bose-Einstein condensate regime, are obtained with a low-momentum expansion up to the forth order of the quadratic (Gaussian) action of the fluctuating pairing field. By performing a cutoff regularization and renormalization of Gaussian fluctuations, we find that the scattering length aB of composite bosons, bound states of fermionic pairs, is given by aB=(2 /3 ) aF , where aF is the scattering length of fermions.

Observation of optically induced feshbach resonances in collisions of cold atoms

PubMed

Fatemi; Jones; Lett

2000-11-20

We have observed optically induced Feshbach resonances in a cold ( <1 mK) sodium vapor. The optical coupling of the ground and excited-state potentials changes the scattering properties of an ultracold gas in much the same way as recently observed magnetically induced Feshbach resonances, but allows for some experimental conveniences associated with using lasers. The scattering properties can be varied by changing either the intensity or the detuning of a laser tuned near a photoassociation transition to a molecular state in the dimer. In principle this method allows the scattering length of any atomic species to be altered. A simple model is used to fit the dispersive resonance line shapes.

Applicability of modified effective-range theory to positron-atom and positron-molecule scattering

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

Idziaszek, Zbigniew; Karwasz, Grzegorz; Instytut Fizyki, Uniwersytet Mikolaja Kopernika, 87-100 Torun

2006-06-15

We analyze low-energy scattering of positrons on Ar atoms and N{sub 2} molecules using the modified effective-range theory (MERT) developed by O'Malley, et al. [J. Math. Phys. 2, 491 (1961)]. We use the formulation of MERT based on exact solutions of the Schroedinger equation with polarization potential rather than low-energy expansions of phase shifts into momentum series. We show that MERT describes the experimental data well, provided that effective-range expansion is performed both for s- and p-wave scattering, which dominate in the considered regime of positron energies (0.4-2 eV). We estimate the values of the s-wave scattering length and themore » effective range for e{sup +}-Ar and e{sup +}-N{sub 2} collisions.« less

Probing Strong Interaction with Kaonic Atoms — from DAΦNE to J-PARC

NASA Astrophysics Data System (ADS)

Zmeskal, J.; Sato, M.; Bazzi, M.; Beer, G.; Berucci, C.; Bosnar, D.; Bragadireanu, M.; Buehler, P.; Cargnelli, M.; Clozza, A.; Curceanu, C.; D'uffizi, A.; Fabbietti, L.; Fiorini, C.; Ghio, F.; Golser, R.; Guaraldo, C.; Hashimoto, T.; Hayano, R. S.; Iliescu, M.; Itahashi, K.; Iwasaki, M.; Levi Sandri, P.; Marton, J.; Moskal, P.; Ohnishi, H.; Okada, S.; Outa, H.; Pietreanu, D.; Piscicchia, K.; Poli Lener, M.; Romero Vidal, A.; Sakuma, F.; Sbardella, E.; Scordo, A.; Shi, H.; Sirghi, D.; Sirghi, F.; Suzuki, K.; Tucakovic, I.; Vazquez Doce, O.; Widmann, E.

The study of the antikaon nucleon system at very low energies plays a key role to study strong interaction with strangeness, touching one of the fundamental problems in hadron physic today — the still unsolved question of how hadron masses are generated. Exotic atoms offer a unique possibility to determine s-wave kaon-nucleon scattering lengths at vanishing energy. At the DAΦNE electron positron collider of Laboratori Nazionali di Frascati in the SIDDHARTA experiment kaonic atoms were formed with Z = 1 (K-p) and Z = 2 (K-He), which were measured with up to now unrivalled precision. This experiment is taking advantage of the low-energy charged kaons from ϕ-mesons decaying nearly at rest. Finally, using the experience gained with SIDDHARTA, a proposal to measure kaonic deuterium for the first time was submitted to J-PARC with the goal to determine the isospin dependent scattering lengths, which is only possible by combining the K-p and the upcoming K-d results.

Radio-Frequency-Controlled Cold Collisions and Universal Properties of Unitary Bose Gases

NASA Astrophysics Data System (ADS)

Ding, Yijue

This thesis investigates two topics: ultracold atomic collisions in a radio-frequency field and universal properties of a degenerate unitary Bose gas. One interesting point of the unitary Bose gas is that the system has only one length scale, that is, the average interparticle distance. This single parameter determines all properties of the gas, which is called the universality of the system. We first introduce a renormalized contact interaction to extend the validity of the zero-range interaction to large scattering lengths. Then this renormalized interaction is applied to many-body theories to determined those universal relations of the system. From the few-body perspective, we discuss the scattering between atoms in a single-color radio-frequency field. Our motivation is proposing the radio-frequency field as an effective tool to control interactions between cold atoms. Such a technique may be useful in future experiments such as creating phase transitions in spinor condensates. We also discuss the formation of ultracold molecules using radio-freqency fields from a time-dependent approach.

Nuclei and the Unitary Limit

NASA Astrophysics Data System (ADS)

Hammer, H.-W.

2018-07-01

Few-body systems with large scattering length display universal properties which are independent of the details of short-distance dynamics. These features include universal correlations between few-body observables and a geometric spectrum of three- and higher-body bound states. They can be observed in a wide range of systems from ultracold atoms to hadrons and nuclei. In this contribution, we review universality in nuclei dominated by few-body physics. In particular, we discuss halo nuclei and the description of light nuclei in a strict expansion around the unitary limit of infinite scattering length.

Correspondence: Reply to ‘Phantom phonon localization in relaxors’

DOE PAGES

Manley, Michael E.; Abernathy, Douglas L.; Budai, John D.

2017-12-05

The Correspondence by Gehring et al. mistakes Anderson phonon localization for the concept of an atomic-scale local mode. An atomic-scale local mode refers to a single atom vibrating on its own within a crystal. Such a local mode will have an almost flat intensity profile, but this is not the same as phonon localization. Anderson localization is a wave interference effect in a disordered system that results in waves becoming spatially localized. The length scale of the localized waves is set by the wavelength, which is approximately 2 nm in this case. This larger length scale in real space meansmore » narrower intensity profiles in reciprocal space. Here, we conclude that the claims in the Correspondence by Gehring et al. are incorrect because they mistakenly assume that the length scale for Anderson localization is atomic, and because the experimental observations rule out multiple scattering as the origin.« less

Correspondence: Reply to ‘Phantom phonon localization in relaxors’

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

Manley, Michael E.; Abernathy, Douglas L.; Budai, John D.

The Correspondence by Gehring et al. mistakes Anderson phonon localization for the concept of an atomic-scale local mode. An atomic-scale local mode refers to a single atom vibrating on its own within a crystal. Such a local mode will have an almost flat intensity profile, but this is not the same as phonon localization. Anderson localization is a wave interference effect in a disordered system that results in waves becoming spatially localized. The length scale of the localized waves is set by the wavelength, which is approximately 2 nm in this case. This larger length scale in real space meansmore » narrower intensity profiles in reciprocal space. Here, we conclude that the claims in the Correspondence by Gehring et al. are incorrect because they mistakenly assume that the length scale for Anderson localization is atomic, and because the experimental observations rule out multiple scattering as the origin.« less

Instrumentation on Multi-Scaled Scattering of Bio-Macromolecular Solutions

PubMed Central

Chu, Benjamin; Fang, Dufei; Mao, Yimin

2015-01-01

The design, construction and initial tests on a combined laser light scattering and synchrotron X-ray scattering instrument can cover studies of length scales from atomic sizes in Angstroms to microns and dynamics from microseconds to seconds are presented. In addition to static light scattering (SLS), dynamic light scattering (DLS), small angle X-ray scattering (SAXS) and wide angle X-ray diffraction (WAXD), the light scattering instrument is being developed to carry out studies in mildly turbid solutions, in the presence of multiple scattering. Three-dimensional photon cross correlation function (3D-PCCF) measurements have been introduced to couple with synchrotron X-ray scattering to study the structure, size and dynamics of macromolecules in solution. PMID:25946340

Combining X-ray and neutron crystallography with spectroscopy.

PubMed

Kwon, Hanna; Smith, Oliver; Raven, Emma Lloyd; Moody, Peter C E

2017-02-01

X-ray protein crystallography has, through the determination of the three-dimensional structures of enzymes and their complexes, been essential to the understanding of biological chemistry. However, as X-rays are scattered by electrons, the technique has difficulty locating the presence and position of H atoms (and cannot locate H + ions), knowledge of which is often crucially important for the understanding of enzyme mechanism. Furthermore, X-ray irradiation, through photoelectronic effects, will perturb the redox state in the crystal. By using single-crystal spectrophotometry, reactions taking place in the crystal can be monitored, either to trap intermediates or follow photoreduction during X-ray data collection. By using neutron crystallography, the positions of H atoms can be located, as it is the nuclei rather than the electrons that scatter neutrons, and the scattering length is not determined by the atomic number. Combining the two techniques allows much greater insight into both reaction mechanism and X-ray-induced photoreduction.

A re-evaluation of thermal expansion measurements of metallic liquids and glasses from x-ray scattering experiments

NASA Astrophysics Data System (ADS)

Gangopadhyay, A. K.; Kelton, K. F.

2018-05-01

Previous studies reported a number of anomalies when estimates of linear thermal expansion coefficients of metallic liquids and glasses from x-ray scattering experiments were compared with direct measurements of volume/length changes with temperature. In most cases, the first peak of the pair correlation function showed a contraction, while the structure factor showed an expansion, but both at rates much different from those expected from the direct volume measurements. In addition, the relationship between atomic volume and the characteristic lengths obtained from the structure factor from scattering experiments was found to have a fractional exponent instead of one equal to three, as expected from the Ehrenfest relation. This has led to the speculation that the atomic packing in liquids and glasses follow a fractal behavior. These issues are revisited in this study using more in-depth analysis of recent higher resolution data and some new ideas suggested in the literature. The main conclusion is that for metallic alloys, at least to a large extent, most of these anomalies arise from complicated interplays of the temperature dependences of the various partial structure factors, which contribute to the total intensities of the scattering peaks.

Nanoscale structure in AgSbTe2 determined by diffuse elastic neutron scattering

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

Specht, Eliot D; Ma, Jie; Delaire, Olivier A

2015-01-01

Diffuse elastic neutron scattering measurements confirm that AgSbTe2 has a hierarchical structure, with defects on length scales from nanometers to microns. While scattering from mesoscale structure is consistent with previously-proposed structures in which Ag and Sb order on a NaCl lattice, more diffuse scattering from nanoscale structure suggests a structural rearrangement in which hexagonal layers form a combination of (ABC), (ABA), and (AAB) stacking sequences. The AgCrSe2 structure is the best-fitting model for the local atomic arrangements.

Cold Rydberg molecules

NASA Astrophysics Data System (ADS)

Raithel, Georg

2017-04-01

Cold atomic systems have opened new frontiers in atomic and molecular physics, including several types of Rydberg molecules. Three types will be reviewed. Long-range Rydberg-ground molecules, first predicted in and observed in, are formed via low-energy electron scattering of the Rydberg electron from a ground-state atom within the Rydberg atom's volume. The binding mostly arises from S- and P-wave triplet scattering. We use a Fermi model that includes S-wave and P-wave singlet and triplet scattering, the fine structure coupling of the Rydberg atom and the hyperfine structure coupling of the 5S1/2 atom (in rubidium). The hyperfine structure gives rise to mixed singlet-triplet potentials for both low-L and high-L Rydberg molecules. A classification into Hund's cases will be discussed. The talk further includes results on adiabatic potentials and adiabatic states of Rydberg-Rydberg molecules in Rb and Cs. These molecules, which have even larger bonding length than Rydberg-ground molecules, are formed via electrostatic multipole interactions. The leading interaction of neutral Rydberg-Rydberg molecules is dipole-dipole, while for ionic Rydberg molecules it is dipole-monopole. Higher-order terms are discussed. FUNDING: NSF (PHY-1506093), NNSF of China (61475123).

The GMO Sumrule and the πNN Coupling Constant

NASA Astrophysics Data System (ADS)

Ericson, T. E. O.; Loiseau, B.; Thomas, A. W.

The isovector GMO sumrule for forward πN scattering is critically evaluated using the precise π-p and π-d scattering lengths obtained recently from pionic atom measurements. The charged πNN coupling constant is then deduced with careful analysis of systematic and statistical sources of uncertainties. This determination gives directly from data gc2(GMO)/4π = 14.17±0.09 (statistic) ±0.17 (systematic) or fc2/ 4π=0.078(11). This value is half-way between that of indirect methods (phase-shift analyses) and the direct evaluation from from backward np differential scattering cross sections (extrapolation to pion pole). From the π-p and π-d scattering lengths our analysis leads also to accurate values for (1/2)(aπ-p+aπ-n) and (1/2) (aπ-p-aπ-n).

Faddeev-chiral unitary approach to the K-d scattering length

NASA Astrophysics Data System (ADS)

Mizutani, T.; Fayard, C.; Saghai, B.; Tsushima, K.

2013-03-01

Our earlier Faddeev three-body study in the K--deuteron scattering length, AK-d, is revisited here in light of the recent developments on two fronts: (i) the improved chiral unitary approach to the theoretical description of the coupled K¯N related channels at low energies, and (ii) the new and improved measurement from SIDDHARTA Collaboration of the strong interaction energy shift and width in the lowest K--hydrogen atomic level. Those two, in combination, have allowed us to produce a reliable two-body input to the three-body calculation. All available low-energy K-p observables are well reproduced and predictions for the K¯N scattering lengths and amplitudes, (πΣ)∘ invariant-mass spectra, as well as for AK-d are put forward and compared with results from other sources. The findings of the present work are expected to be useful in interpreting the forthcoming data from CLAS, HADES, LEPS, and SIDDHARTA Collaborations.

Atom-atom entanglement by single-photon detection.

PubMed

Slodička, L; Hétet, G; Röck, N; Schindler, P; Hennrich, M; Blatt, R

2013-02-22

A scheme for entangling distant atoms is realized, as proposed in the seminal paper by [C. Cabrillo et al., Phys. Rev. A 59, 1025 (1999)]. The protocol is based on quantum interference and detection of a single photon scattered from two effectively one meter distant laser cooled and trapped atomic ions. The detection of a single photon heralds entanglement of two internal states of the trapped ions with high rate and with a fidelity limited mostly by atomic motion. Control of the entangled state phase is demonstrated by changing the path length of the single-photon interferometer.

Two atoms in an anisotropic harmonic trap

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

Idziaszek, Z.; Centrum Fizyki Teoretycznej, Polska Akademia Nauk, 02-668 Warsaw; Calarco, T.

2005-05-15

We consider the system of two interacting atoms confined in axially symmetric harmonic trap. Within the pseudopotential approximation, we solve the Schroedinger equation exactly, discussing the limits of quasi-one-and quasi-two-dimensional geometries. Finally, we discuss the application of an energy-dependent pseudopotential, which allows us to extend the validity of our results to the case of tight traps and large scattering lengths.

Cold Rydberg molecules

NASA Astrophysics Data System (ADS)

Raithel, Georg; Zhao, Jianming

2017-04-01

Cold atomic systems have opened new frontiers at the interface of atomic and molecular physics. These include research on novel types of Rydberg molecules. Three types of molecules will be reviewed. Long-range, homonuclear Rydberg molecules, first predicted in [1] and observed in [2], are formed via low-energy electron scattering of the Rydberg electron from a ground-state atom within the Rydberg atom's volume. The binding mostly arises from S- and P-wave triplet scattering. We use a Fermi model that includes S-wave and P-wave singlet and triplet scattering, the fine structure coupling of the Rydberg atom and the hyperfine structure coupling of the 5S1/2 atom (in rubidium [3]). The hyperfine structure gives rise to mixed singlet-triplet potentials for both low-L and high-L Rydberg molecules [3]. A classification into Hund's cases [3, 4, 5] will be discussed. The talk further includes results on adiabatic potentials and adiabatic states of Rydberg-Rydberg molecules in Rb and Cs. These molecules, which have even larger bonding length than Rydberg-ground molecules, are formed via electrostatic multipole interactions. The leading interaction term of neutral Rydberg-Rydberg molecules is between two dipoles, while for ionic Rydberg molecules it is between a dipole and a monopole. NSF (PHY-1506093), NNSF of China (61475123).

Energy spectra of small bosonic clusters having a large two-body scattering length

NASA Astrophysics Data System (ADS)

Gattobigio, M.; Kievsky, A.; Viviani, M.

2012-10-01

In this work we investigate small clusters of bosons using the hyperspherical harmonic basis. We consider systems with A=2,3,4,5,6 particles interacting through a soft interparticle potential. In order to make contact with a real system, we use an attractive Gaussian potential that reproduces the values of the dimer binding energy and the atom-atom scattering length obtained with one of the most widely used 4He-4He interactions, the LM2M2 potential of Aziz and Slaman. The intensity of the potential is varied in order to explore the clusters’ spectra in different regions with large positive and large negative values of the two-body scattering length. In addition, we include a repulsive three-body force to reproduce the trimer binding energy. With this model, consisting in the sum of a two- and three-body potential, we have calculated the spectrum of the four-, five-, and six-particle systems. In all the regions explored, we have found that these systems present two states, one deep and one shallow close to the A-1 threshold. Some universal relations between the energy levels are extracted; in particular, we have estimated the universal ratios between thresholds of the three-, four-, and five-particle continua using the two-body Gaussian potential. They agree with recent measurements and theoretical predictions.

Critical behavior of the order-disorder phase transition in β -brass investigated by x-ray scattering

NASA Astrophysics Data System (ADS)

Madsen, A.; Als-Nielsen, J.; Hallmann, J.; Roth, T.; Lu, W.

2016-07-01

β -brass exhibits an archetypical example of an order-disorder transition with a critical behavior that was previously investigated by neutron scattering. The data were well described by the three-dimensional (3d) Ising model but the relatively crude experimental resolution prevented an in-depth examination of the single-length scaling hypothesis, a cornerstone in the theory of critical phenomena. With the development of synchrotron x-ray experiments, high-resolution data could be recorded and surprisingly it was found that the single-length scaling did not hold in most critical systems, possibly due to strain originating from surface defects and/or impurities. In this paper we demonstrate single-length critical behavior using high-resolution x-ray scattering in β -brass. The investigations confirm that β -brass behaves like a 3d Ising system over a wide range of length scales comprising correlated clusters of millions of atoms. To vary the surface sensitivity, experiments have been performed both in Bragg reflection and Laue transmission geometries but without any substantial differences observed in the scaling and critical behavior.

Quantifying the Hierarchical Order in Self-Aligned Carbon Nanotubes from Atomic to Micrometer Scale.

PubMed

Meshot, Eric R; Zwissler, Darwin W; Bui, Ngoc; Kuykendall, Tevye R; Wang, Cheng; Hexemer, Alexander; Wu, Kuang Jen J; Fornasiero, Francesco

2017-06-27

Fundamental understanding of structure-property relationships in hierarchically organized nanostructures is crucial for the development of new functionality, yet quantifying structure across multiple length scales is challenging. In this work, we used nondestructive X-ray scattering to quantitatively map the multiscale structure of hierarchically self-organized carbon nanotube (CNT) "forests" across 4 orders of magnitude in length scale, from 2.0 Å to 1.5 μm. Fully resolved structural features include the graphitic honeycomb lattice and interlayer walls (atomic), CNT diameter (nano), as well as the greater CNT ensemble (meso) and large corrugations (micro). Correlating orientational order across hierarchical levels revealed a cascading decrease as we probed finer structural feature sizes with enhanced sensitivity to small-scale disorder. Furthermore, we established qualitative relationships for single-, few-, and multiwall CNT forest characteristics, showing that multiscale orientational order is directly correlated with number density spanning 10 9 -10 12 cm -2 , yet order is inversely proportional to CNT diameter, number of walls, and atomic defects. Lastly, we captured and quantified ultralow-q meridional scattering features and built a phenomenological model of the large-scale CNT forest morphology, which predicted and confirmed that these features arise due to microscale corrugations along the vertical forest direction. Providing detailed structural information at multiple length scales is important for design and synthesis of CNT materials as well as other hierarchically organized nanostructures.

Simultaneous small- and wide-angle scattering at high X-ray energies.

PubMed

Daniels, J E; Pontoni, D; Hoo, Rui Ping; Honkimäki, V

2010-07-01

Combined small- and wide-angle X-ray scattering (SAXS/WAXS) is a powerful technique for the study of materials at length scales ranging from atomic/molecular sizes (a few angstroms) to the mesoscopic regime ( approximately 1 nm to approximately 1 microm). A set-up to apply this technique at high X-ray energies (E > 50 keV) has been developed. Hard X-rays permit the execution of at least three classes of investigations that are significantly more difficult to perform at standard X-ray energies (8-20 keV): (i) in situ strain analysis revealing anisotropic strain behaviour both at the atomic (WAXS) as well as at the mesoscopic (SAXS) length scales, (ii) acquisition of WAXS patterns to very large q (>20 A(-1)) thus allowing atomic pair distribution function analysis (SAXS/PDF) of micro- and nano-structured materials, and (iii) utilization of complex sample environments involving thick X-ray windows and/or samples that can be penetrated only by high-energy X-rays. Using the reported set-up a time resolution of approximately two seconds was demonstrated. It is planned to further improve this time resolution in the near future.

Ground state atoms confined in a real Rydberg and complex Rydberg-Scarf II potential

NASA Astrophysics Data System (ADS)

Mansoori Kermani, Maryam

2017-12-01

In this work, a system of two ground state atoms confined in a one-dimensional real Rydberg potential was modeled. The atom-atom interaction was considered as a nonlocal separable potential (NLSP) of rank one. This potential was assumed because it leads to an analytical solution of the Lippmann-Schwinger equation. The NLSPs are useful in the few body problems that the many-body potential at each point is replaced by a projective two-body nonlocal potential operator. Analytical expressions for the confined particle resolvent were calculated as a key function in this study. The contributions of the bound and virtual states in the complex energy plane were obtained via the derived transition matrix. Since the low energy quantum scattering problems scattering length is an important quantity, the behavior of this parameter was described versus the reduced energy considering various values of potential parameters. In a one-dimensional model, the total cross section in units of the area is not a meaningful property; however, the reflectance coefficient has a similar role. Therefore the reflectance probability and its behavior were investigated. Then a new confined potential via combining the complex absorbing Scarf II potential with the real Rydberg potential, called the Rydberg-Scarf II potential, was introduced to construct a non-Hermitian Hamiltonian. In order to investigate the effect of the complex potential, the scattering length and reflectance coefficient were calculated. It was concluded that in addition to the competition between the repulsive and attractive parts of both potentials, the imaginary part of the complex potential has an important effect on the properties of the system. The complex potential also reduces the reflectance probability via increasing the absorption probability. For all numerical computations, the parameters of a system including argon gas confined in graphite were considered.

Beyond-Born-Oppenheimer effects in sub-kHz-precision photoassociation spectroscopy of ytterbium atoms

NASA Astrophysics Data System (ADS)

Borkowski, Mateusz; Buchachenko, Alexei A.; Ciuryło, Roman; Julienne, Paul S.; Yamada, Hirotaka; Kikuchi, Yuu; Takahashi, Kakeru; Takasu, Yosuke; Takahashi, Yoshiro

2017-12-01

We present high-resolution two-color photoassociation spectroscopy of Bose-Einstein condensates of ytterbium atoms. The use of narrow Raman resonances and careful examination of systematic shifts enabled us to measure 13 bound-state energies for three isotopologues of the ground-state ytterbium molecule with standard uncertainties of the order of 500 Hz. The atomic interactions are modeled using an ab initio based mass-scaled Born-Oppenheimer potential whose long-range van der Waals parameters and total WKB phase are fitted to experimental data. We find that the quality of the fit of this model, of about 112.9 kHz (rms) can be significantly improved by adding the recently calculated beyond-Born-Oppenheimer (BBO) adiabatic corrections [J. J. Lutz and J. M. Hutson, J. Mol. Spectrosc. 330, 43 (2016), 10.1016/j.jms.2016.08.007] and by partially treating the nonadiabatic effects using distance-dependent reduced masses. Our BBO interaction model represents the experimental data to within about 30.2 kHz on average, which is 3.7 times better than the "reference" Born-Oppenheimer model. We calculate the s -wave scattering lengths for bosonic isotopic pairs of ytterbium atoms with error bars over two orders of magnitude smaller than previous determinations. For example, the s -wave scattering length for 174Yb is +5.55812 (50 ) nm.

Solenoid and monocusp ion source

DOEpatents

Brainard, John Paul; Burns, Erskine John Thomas; Draper, Charles Hadley

1997-01-01

An ion source which generates hydrogen ions having high atomic purity incorporates a solenoidal permanent magnets to increase the electron path length. In a sealed envelope, electrons emitted from a cathode traverse the magnetic field lines of a solenoid and a monocusp magnet between the cathode and a reflector at the monocusp. As electrons collide with gas, the molecular gas forms a plasma. An anode grazes the outer boundary of the plasma. Molecular ions and high energy electrons remain substantially on the cathode side of the cusp, but as the ions and electrons are scattered to the aperture side of the cusp, additional collisions create atomic ions. The increased electron path length allows for smaller diameters and lower operating pressures.

Solenoid and monocusp ion source

DOEpatents

Brainard, J.P.; Burns, E.J.T.; Draper, C.H.

1997-10-07

An ion source which generates hydrogen ions having high atomic purity incorporates a solenoidal permanent magnets to increase the electron path length. In a sealed envelope, electrons emitted from a cathode traverse the magnetic field lines of a solenoid and a monocusp magnet between the cathode and a reflector at the monocusp. As electrons collide with gas, the molecular gas forms a plasma. An anode grazes the outer boundary of the plasma. Molecular ions and high energy electrons remain substantially on the cathode side of the cusp, but as the ions and electrons are scattered to the aperture side of the cusp, additional collisions create atomic ions. The increased electron path length allows for smaller diameters and lower operating pressures. 6 figs.

The exact solution of a four-body Coulomb problem

NASA Astrophysics Data System (ADS)

Ray, Hasi

2018-03-01

The elastic collision between two H-like atoms utilizing an ab initio static-exchange model (SEM) in the center of mass (CM) frame considering the system as a four-body Coulomb problem where all the Coulomb interaction terms in the direct and exchange channels are treated exactly, is studied thoroughly. A coupled-channel methodology in momentum space is used to solve Lippman-Schwinger equation following the integral approach. The new SEM code [Ray, Pramana 83, 907 (2014)] in which the Born-Oppenheimer (BO) scattering amplitude acts as input to derive the SEM amplitude using partial wave analysis, is utilized to study the s-, p-, d-wave elastic phase shifts and the corresponding partial cross sections. An augmented-Born approximation is used to include the contribution of higher partial waves more accurately to determine the total/integrated elastic cross sections. The effective range theory is used to determine the scattering lengths and effective ranges in the s-wave elastic scattering. The systems studied are Ps-Ps, Ps-Mu, Ps-H, Ps-D, Ps-T, Mu-Mu, Mu-H, Mu-D, Mu-T, H-H, H-D, H-T, D-D, D-T, T-T. The SEM includes the non-adiabatic short-range effects due to exchange. The MSEM code [Ray, Pramana 83, 907 (2014)] is used to study the effect of the long-range van der Waals interaction due to induced dipole polarizabilities of the atoms in H(1s)-H(1s) elastic collision. The dependence of scattering length on the reduced mass of the system and the dependence of scattering length on the strength of long-range van der Waals interaction that varies with the minimum interatomic distance are observed. Contribution to the Topical Issue "Low Energy Positron and Electron Interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

Applications of Quantum Theory of Atomic and Molecular Scattering to Problems in Hypersonic Flow

NASA Technical Reports Server (NTRS)

Malik, F. Bary

1995-01-01

The general status of a grant to investigate the applications of quantum theory in atomic and molecular scattering problems in hypersonic flow is summarized. Abstracts of five articles and eleven full-length articles published or submitted for publication are included as attachments. The following topics are addressed in these articles: fragmentation of heavy ions (HZE particles); parameterization of absorption cross sections; light ion transport; emission of light fragments as an indicator of equilibrated populations; quantum mechanical, optical model methods for calculating cross sections for particle fragmentation by hydrogen; evaluation of NUCFRG2, the semi-empirical nuclear fragmentation database; investigation of the single- and double-ionization of He by proton and anti-proton collisions; Bose-Einstein condensation of nuclei; and a liquid drop model in HZE particle fragmentation by hydrogen.

Stability of a Unitary Bose Gas

NASA Astrophysics Data System (ADS)

Fletcher, Richard J.; Gaunt, Alexander L.; Navon, Nir; Smith, Robert P.; Hadzibabic, Zoran

2013-09-01

We study the stability of a thermal K39 Bose gas across a broad Feshbach resonance, focusing on the unitary regime, where the scattering length a exceeds the thermal wavelength λ. We measure the general scaling laws relating the particle-loss and heating rates to the temperature, scattering length, and atom number. Both at unitarity and for positive a≪λ we find agreement with three-body theory. However, for a<0 and away from unitarity, we observe significant four-body decay. At unitarity, the three-body loss coefficient, L3∝λ4, is 3 times lower than the universal theoretical upper bound. This reduction is a consequence of species-specific Efimov physics and makes K39 particularly promising for studies of many-body physics in a unitary Bose gas.

Approximating the Helium Wavefunction in Positronium-Helium Scattering

NASA Technical Reports Server (NTRS)

DiRienzi, Joseph; Drachman, Richard J.

2003-01-01

In the Kohn variational treatment of the positronium- hydrogen scattering problem the scattering wave function is approximated by an expansion in some appropriate basis set, but the target and projectile wave functions are known exactly. In the positronium-helium case, however, a difficulty immediately arises in that the wave function of the helium target atom is not known exactly, and there are several ways to deal with the associated eigenvalue in formulating the variational scattering equations to be solved. In this work we will use the Kohn variational principle in the static exchange approximation to d e t e e the zero-energy scattering length for the Ps-He system, using a suite of approximate target functions. The results we obtain will be compared with each other and with corresponding values found by other approximation techniques.

Biomembranes research using thermal and cold neutrons

DOE PAGES

Heberle, Frederick A.; Myles, Dean A. A.; Katsaras, John

2015-08-01

In 1932 James Chadwick discovered the neutron using a polonium source and a beryllium target (Chadwick, 1932). In a letter to Niels Bohr dated February 24, 1932, Chadwick wrote: “whatever the radiation from Be may be, it has most remarkable properties.” Where it concerns hydrogen-rich biological materials, the “most remarkable” property is the neutron’s differential sensitivity for hydrogen and its isotope deuterium. Such differential sensitivity is unique to neutron scattering, which unlike X-ray scattering, arises from nuclear forces. Consequently, the coherent neutron scattering length can experience a dramatic change in magnitude and phase as a result of resonance scattering, impartingmore » sensitivity to both light and heavy atoms, and in favorable cases to their isotopic variants. Furthermore, this article describes recent biomembranes research using a variety of neutron scattering techniques.« less

Stacking of 2D electron gases in Ge probed at the atomic level and its correlation to low-temperature magnetotransport.

PubMed

Scappucci, G; Klesse, W M; Hamilton, A R; Capellini, G; Jaeger, D L; Bischof, M R; Reidy, R F; Gorman, B P; Simmons, M Y

2012-09-12

Stacking of two-dimensional electron gases (2DEGs) obtained by δ-doping of Ge and patterned by scanning probe lithography is a promising approach to realize ultrascaled 3D epitaxial circuits, where multiple layers of active electronic components are integrated both vertically and horizontally. We use atom probe tomography and magnetotransport to correlate the real space 3D atomic distribution of dopants in the crystal with the quantum correction to the conductivity observed at low temperatures, probing if closely stacked δ-layers in Ge behave as independent 2DEGs. We find that at a separation of 9 nm the stacked-2DEGs, while interacting, still maintain their individuality in terms of electron transport and show long phase coherence lengths (∼220 nm). Strong vertical electron confinement is crucial to this finding, resulting in an interlayer scattering time much longer (∼1000 × ) than the scattering time within the dopant plane.

Measurement of optical Feshbach resonances in an ideal gas.

PubMed

Blatt, S; Nicholson, T L; Bloom, B J; Williams, J R; Thomsen, J W; Julienne, P S; Ye, J

2011-08-12

Using a narrow intercombination line in alkaline earth atoms to mitigate large inelastic losses, we explore the optical Feshbach resonance effect in an ultracold gas of bosonic (88)Sr. A systematic measurement of three resonances allows precise determinations of the optical Feshbach resonance strength and scaling law, in agreement with coupled-channel theory. Resonant enhancement of the complex scattering length leads to thermalization mediated by elastic and inelastic collisions in an otherwise ideal gas. Optical Feshbach resonance could be used to control atomic interactions with high spatial and temporal resolution.

Evaluation of interatomic potentials for rainbow scattering under axial channeling at KCl(0 0 1) surface by three-dimensional computer simulations based on binary collision approximation

NASA Astrophysics Data System (ADS)

Takeuchi, Wataru

2017-05-01

The rainbow angles corresponding to prominent peaks in the angular distributions of scattered projectiles with small angle, attributed to rainbow scattering (RS), under axial surface channeling conditions are strongly influenced by the interatomic potentials between projectiles and target atoms. The dependence of rainbow angles on normal energy of projectile energy to the target surface, being experimentally obtained by Specht et al. for RS of He, N, Ne and Ar atoms under <1 0 0> and <1 1 0> axial channeling conditions at a KCl(0 0 1) surface with projectile energies of 1-60 keV, was evaluated by the three-dimensional computer simulations using the ACOCT code based on the binary collision approximation with interatomic pair potentials. Good agreement between the ACOCT results using the ZBL pair potential and the individual pair potentials calculated from Hartree-Fock (HF) wave functions and the experimental ones was found for RS of He, N and Ne atoms from the atomic rows along <1 0 0> direction. For <1 1 0> direction, the ACOCT results employing the Moliere pair potential with adjustable screening length of O'Connor-Biersack (OB) formula, the ZBL pair potential and the individual HF pair potentials except for Ar → KCl using the OB pair potential are nearly in agreement with the experimental ones.

Preliminary study of kaonic deuterium X-rays by the SIDDHARTA experiment at DAΦNE.

PubMed

Bazzi, M; Beer, G; Berucci, C; Bombelli, L; Bragadireanu, A M; Cargnelli, M; Curceanu Petrascu, C; Dʼuffizi, A; Fiorini, C; Frizzi, T; Ghio, F; Guaraldo, C; Hayano, R; Iliescu, M; Ishiwatari, T; Iwasaki, M; Kienle, P; Levi Sandri, P; Longoni, A; Marton, J; Okada, S; Pietreanu, D; Ponta, T; Romero Vidal, A; Sbardella, E; Scordo, A; Shi, H; Sirghi, D L; Sirghi, F; Tatsuno, H; Tudorache, A; Tudorache, V; Vazquez Doce, O; Widmann, E; Zmeskal, J

2013-06-03

The study of the [Formula: see text] system at very low energies plays a key role for the understanding of the strong interaction between hadrons in the strangeness sector. At the DAΦNE electron-positron collider of Laboratori Nazionali di Frascati we studied kaonic atoms with [Formula: see text] and [Formula: see text], taking advantage of the low-energy charged kaons from Φ -mesons decaying nearly at rest. The SIDDHARTA experiment used X-ray spectroscopy of the kaonic atoms to determine the transition yields and the strong interaction induced shift and width of the lowest experimentally accessible level (1s for H and D and 2p for He). Shift and width are connected to the real and imaginary part of the scattering length. To disentangle the isospin dependent scattering lengths of the antikaon-nucleon interaction, measurements of [Formula: see text] and of [Formula: see text] are needed. We report here on an exploratory deuterium measurement, from which a limit for the yield of the K-series transitions was derived: [Formula: see text] and [Formula: see text] (CL 90%). Also, the upcoming SIDDHARTA-2 kaonic deuterium experiment is introduced.

SIDDHARTA results and implications of the results on antikaon-nucleon interaction

NASA Astrophysics Data System (ADS)

Marton, J.; Bazzi, M.; Beer, G.; Berucci, C.; Bellotti, G.; Bosnar, D.; Bragadireanu, A. M.; Cargnelli, M.; Clozza, A.; Curceanu, C.; Butt, A. Dawood; Fiorini, C.; Ghio, F.; Guaraldo, C.; Hayano, R.; Iliescu, M.; Iwasaki, M.; Sandri, P. Levi; Okada, S.; Pietreanu, D.; Piscicchia, K.; Vidal, A. Romero; Scordo, A.; Shi, H.; Sirghi, D. L.; Sirghi, F.; Tatsuno, H.; Doce, O. Vazquez; Widmann, E.; Zmeskal, J.

2016-05-01

The interaction of antikaons (K-) with nucleons and nuclei in the low-energy regime represents an active research field in hadron physics. There are important open questions like the existence of antikaon nuclear bound states like the prototype system being K- pp. Unique and rather direct experimental access to the antikaon-nucleon scattering lengths is provided by precision X-ray spectroscopy of transitions in low-lying states in light kaonic atoms like kaonic hydrogen and helium isotopes. In the SIDDHARTA experiment at the electron-positron collider DAΦNE of LNF-INFN we measured the most precise values of the strong interaction observables, i.e. the strong interaction on the 1s ground state of the electromagnetically bound K-p atom leading to energy shift and broadening of the 1s state. The SIDDHARTA result triggered new theoretical work, which achieved major progress in the understanding of the low-energy strong interaction with strangeness reflected by the antikaon-nucleon scattering lengths calculated with the K--proton amplitudes constrained by the SIDDHARTA data. The most important open question is the experimental determination of the hadronic energy shift and width of kaonic deuterium which is planned by the SIDDHARTA-2 Collaboration.

Isotopic Shift of Atom-Dimer Efimov Resonances in K-Rb Mixtures: Critical Effect of Multichannel Feshbach Physics.

PubMed

Kato, K; Wang, Yujun; Kobayashi, J; Julienne, P S; Inouye, S

2017-04-21

Multichannel Efimov physics is investigated in ultracold heteronuclear admixtures of K and Rb atoms. We observe a shift in the scattering length where the first atom-dimer resonance appears in the ^{41}K-^{87}Rb system relative to the position of the previously observed atom-dimer resonance in the ^{40}K-^{87}Rb system. This shift is well explained by our calculations with a three-body model including van der Waals interactions, and, more importantly, multichannel spinor physics. With only minor differences in the atomic masses of the admixtures, the shift in the atom-dimer resonance positions can be cleanly ascribed to the isolated and overlapping Feshbach resonances in the ^{40}K-^{87}Rb and ^{41}K-^{87}Rb systems, respectively. Our study demonstrates the role of multichannel Feshbach physics in determining Efimov resonances in heteronuclear three-body systems.

Efficient simultaneous reverse Monte Carlo modeling of pair-distribution functions and extended x-ray-absorption fine structure spectra of crystalline disordered materials.

PubMed

Németh, Károly; Chapman, Karena W; Balasubramanian, Mahalingam; Shyam, Badri; Chupas, Peter J; Heald, Steve M; Newville, Matt; Klingler, Robert J; Winans, Randall E; Almer, Jonathan D; Sandi, Giselle; Srajer, George

2012-02-21

An efficient implementation of simultaneous reverse Monte Carlo (RMC) modeling of pair distribution function (PDF) and EXAFS spectra is reported. This implementation is an extension of the technique established by Krayzman et al. [J. Appl. Cryst. 42, 867 (2009)] in the sense that it enables simultaneous real-space fitting of x-ray PDF with accurate treatment of Q-dependence of the scattering cross-sections and EXAFS with multiple photoelectron scattering included. The extension also allows for atom swaps during EXAFS fits thereby enabling modeling the effects of chemical disorder, such as migrating atoms and vacancies. Significant acceleration of EXAFS computation is achieved via discretization of effective path lengths and subsequent reduction of operation counts. The validity and accuracy of the approach is illustrated on small atomic clusters and on 5500-9000 atom models of bcc-Fe and α-Fe(2)O(3). The accuracy gains of combined simultaneous EXAFS and PDF fits are pointed out against PDF-only and EXAFS-only RMC fits. Our modeling approach may be widely used in PDF and EXAFS based investigations of disordered materials. © 2012 American Institute of Physics

Further Examination of a Simplified Model for Positronium-Helium Scattering

NASA Technical Reports Server (NTRS)

DiRienzi, J.; Drachman, Richard J.

2012-01-01

While carrying out investigations on Ps-He scattering we realized that it would be possible to improve the results of a previous work on zero-energy scattering of ortho-positronium by helium atoms. The previous work used a model to account for exchange and also attempted to include the effect of short-range Coulomb interactions in the close-coupling approximation. The 3 terms that were then included did not produce a well-converged result but served to give some justification to the model. Now we improve the calculation by using a simple variational wave function, and derive a much better value of the scattering length. The new result is compared with other computed values, and when an approximate correction due to the van der Waals potential is included the total is consistent with an earlier conjecture.

Roy-Steiner-equation analysis of pion-nucleon scattering

NASA Astrophysics Data System (ADS)

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meißner, Ulf-G.

2016-04-01

We review the structure of Roy-Steiner equations for pion-nucleon scattering, the solution for the partial waves of the t-channel process ππ → N ¯ N, as well as the high-accuracy extraction of the pion-nucleon S-wave scattering lengths from data on pionic hydrogen and deuterium. We then proceed to construct solutions for the lowest partial waves of the s-channel process πN → πN and demonstrate that accurate solutions can be found if the scattering lengths are imposed as constraints. Detailed error estimates of all input quantities in the solution procedure are performed and explicit parameterizations for the resulting low-energy phase shifts as well as results for subthreshold parameters and higher threshold parameters are presented. Furthermore, we discuss the extraction of the pion-nucleon σ-term via the Cheng-Dashen low-energy theorem, including the role of isospin-breaking corrections, to obtain a precision determination consistent with all constraints from analyticity, unitarity, crossing symmetry, and pionic-atom data. We perform the matching to chiral perturbation theory in the subthreshold region and detail the consequences for the chiral convergence of the threshold parameters and the nucleon mass.

{sup 85}Rb tunable-interaction Bose-Einstein condensate machine

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

Altin, P. A.; Robins, N. P.; Doering, D.

We describe our experimental setup for creating stable Bose-Einstein condensates (BECs) of {sup 85}Rb with tunable interparticle interactions. We use sympathetic cooling with {sup 87}Rb in two stages, initially in a tight Ioffe-Pritchard magnetic trap and subsequently in a weak, large-volume, crossed optical dipole trap, using the 155 G Feshbach resonance to manipulate the elastic and inelastic scattering properties of the {sup 85}Rb atoms. Typical {sup 85}Rb condensates contain 4x10{sup 4} atoms with a scattering length of a=+200a{sub 0}. Many aspects of the design presented here could be adapted to other dual-species BEC machines, including those involving degenerate Fermi-Bose mixtures.more » Our minimalist apparatus is well suited to experiments on dual-species and spinor Rb condensates, and has several simplifications over the {sup 85}Rb BEC machine at JILA, which we discuss at the end of this article.« less

Polarization momentum transfer collision: Faxen-Holtzmark theory and quantum dynamic shielding.

PubMed

Ki, Dae-Han; Jung, Young-Dae

2013-04-21

The influence of the quantum dynamic shielding on the polarization momentum transport collision is investigated by using the Faxen-Holtzmark theory in strongly coupled Coulomb systems. The electron-atom polarization momentum transport cross section is derived as a function of the collision energy, de Broglie wavelength, Debye length, thermal energy, and atomic quantum states. It is found that the dynamic shielding enhances the scattering phase shift as well as the polarization momentum transport cross section. The variation of quantum effect on the momentum transport collision due to the change of thermal energy and de Broglie wavelength is also discussed.

Neutron Nucleic Acid Crystallography.

PubMed

Chatake, Toshiyuki

2016-01-01

The hydration shells surrounding nucleic acids and hydrogen-bonding networks involving water molecules and nucleic acids are essential interactions for the structural stability and function of nucleic acids. Water molecules in the hydration shells influence various conformations of DNA and RNA by specific hydrogen-bonding networks, which often contribute to the chemical reactivity and molecular recognition of nucleic acids. However, X-ray crystallography could not provide a complete description of structural information with respect to hydrogen bonds. Indeed, X-ray crystallography is a powerful tool for determining the locations of water molecules, i.e., the location of the oxygen atom of H2O; however, it is very difficult to determine the orientation of the water molecules, i.e., the orientation of the two hydrogen atoms of H2O, because X-ray scattering from the hydrogen atom is very small.Neutron crystallography is a specialized tool for determining the positions of hydrogen atoms. Neutrons are not diffracted by electrons, but are diffracted by atomic nuclei; accordingly, neutron scattering lengths of hydrogen and its isotopes are comparable to those of non-hydrogen atoms. Therefore, neutron crystallography can determine both of the locations and orientations of water molecules. This chapter describes the current status of neutron nucleic acid crystallographic research as well as the basic principles of neutron diffraction experiments performed on nucleic acid crystals: materials, crystallization, diffraction experiments, and structure determination.

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments

NASA Astrophysics Data System (ADS)

Prasai, Binay; Wilson, A. R.; Wiley, B. J.; Ren, Y.; Petkov, Valeri

2015-10-01

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au100-xPdx (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when ``tuned up'' against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr04678e

Electron scattering in graphene with adsorbed NaCl nanoparticles

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

Drabińska, Aneta, E-mail: Aneta.Drabinska@fuw.edu.pl; Kaźmierczak, Piotr; Bożek, Rafał

2015-01-07

In this work, the results of contactless magnetoconductance and Raman spectroscopy measurements performed for a graphene sample after its immersion in NaCl solution were presented. The properties of the immersed sample were compared with those of a non-immersed reference sample. Atomic force microscopy and electron spin resonance experiments confirmed the deposition of NaCl nanoparticles on the graphene surface. A weak localization signal observed using contactless magnetoconductance showed the reduction of the coherence length after NaCl treatment of graphene. Temperature dependence of the coherence length indicated a change from ballistic to diffusive regime in electron transport after NaCl treatment. The mainmore » inelastic scattering process was of the electron-electron type but the major reason for the reduction of the coherence length at low temperatures was additional, temperature independent, inelastic scattering. We associate it with spin flip scattering, caused by NaCl nanoparticles present on the graphene surface. Raman spectroscopy showed an increase in the D and D′ bands intensities for graphene after its immersion in NaCl solution. An analysis of the D, D′, and G bands intensities proved that this additional scattering is related to the decoration of vacancies and grain boundaries with NaCl nanoparticles, as well as generation of new on-site defects as a result of the decoration of the graphene surface with NaCl nanoparticles. The observed energy shifts of 2D and G bands indicated that NaCl deposition on the graphene surface did not change carrier concentration, but reduced compressive biaxial strain in the graphene layer.« less

Dirac δ -function potential in quasiposition representation of a minimal-length scenario

NASA Astrophysics Data System (ADS)

Gusson, M. F.; Gonçalves, A. Oakes O.; Francisco, R. O.; Furtado, R. G.; Fabris, J. C.; Nogueira, J. A.

2018-03-01

A minimal-length scenario can be considered as an effective description of quantum gravity effects. In quantum mechanics the introduction of a minimal length can be accomplished through a generalization of Heisenberg's uncertainty principle. In this scenario, state eigenvectors of the position operator are no longer physical states and the representation in momentum space or a representation in a quasiposition space must be used. In this work, we solve the Schroedinger equation with a Dirac δ -function potential in quasiposition space. We calculate the bound state energy and the coefficients of reflection and transmission for the scattering states. We show that leading corrections are of order of the minimal length ({ O}(√{β })) and the coefficients of reflection and transmission are no longer the same for the Dirac delta well and barrier as in ordinary quantum mechanics. Furthermore, assuming that the equivalence of the 1s state energy of the hydrogen atom and the bound state energy of the Dirac {{δ }}-function potential in the one-dimensional case is kept in a minimal-length scenario, we also find that the leading correction term for the ground state energy of the hydrogen atom is of the order of the minimal length and Δx_{\\min } ≤ 10^{-25} m.

Breakdown of Universality for Unequal-Mass Fermi Gases with Infinite Scattering Length

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

Blume, D.; Daily, K. M.

We treat small trapped unequal-mass two-component Fermi gases at unitarity within a nonperturbative microscopic framework and investigate the system properties as functions of the mass ratio {kappa}, and the numbers N{sub 1} and N{sub 2} of heavy and light fermions. While equal-mass Fermi gases with infinitely large interspecies s-wave scattering length a{sub s} are universal, we find that unequal-mass Fermi gases are, for sufficiently large {kappa} and in the regime where Efimov physics is absent, not universal. In particular, the (N{sub 1},N{sub 2})=(2,1) and (3, 1) systems exhibit three-body and four-body resonances at {kappa}=12.314(2) and 10.4(2), respectively, as well asmore » surprisingly large finite-range effects. These findings have profound implications for ongoing experimental efforts and quantum simulation proposals that utilize unequal-mass atomic Fermi gases.« less

High-Precision Determination of the Pion-Nucleon σ Term from Roy-Steiner Equations.

PubMed

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meißner, Ulf-G

2015-08-28

We present a determination of the pion-nucleon (πN) σ term σ_{πN} based on the Cheng-Dashen low-energy theorem (LET), taking advantage of the recent high-precision data from pionic atoms to pin down the πN scattering lengths as well as of constraints from analyticity, unitarity, and crossing symmetry in the form of Roy-Steiner equations to perform the extrapolation to the Cheng-Dashen point in a reliable manner. With isospin-violating corrections included both in the scattering lengths and the LET, we obtain σ_{πN}=(59.1±1.9±3.0)  MeV=(59.1±3.5)  MeV, where the first error refers to uncertainties in the πN amplitude and the second to the LET. Consequences for the scalar nucleon couplings relevant for the direct detection of dark matter are discussed.

High-Precision Determination of the Pion-Nucleon σ Term from Roy-Steiner Equations

NASA Astrophysics Data System (ADS)

Hoferichter, Martin; Ruiz de Elvira, Jacobo; Kubis, Bastian; Meißner, Ulf-G.

2015-08-01

We present a determination of the pion-nucleon (π N ) σ term σπ N based on the Cheng-Dashen low-energy theorem (LET), taking advantage of the recent high-precision data from pionic atoms to pin down the π N scattering lengths as well as of constraints from analyticity, unitarity, and crossing symmetry in the form of Roy-Steiner equations to perform the extrapolation to the Cheng-Dashen point in a reliable manner. With isospin-violating corrections included both in the scattering lengths and the LET, we obtain σπ N=(59.1 ±1.9 ±3.0 ) MeV =(59.1 ±3.5 ) MeV , where the first error refers to uncertainties in the π N amplitude and the second to the LET. Consequences for the scalar nucleon couplings relevant for the direct detection of dark matter are discussed.

Novel trends in pair distribution function approaches on bulk systems with nanoscale heterogeneities

DOE PAGES

Emil S. Bozin; Billinge, Simon J. L.

2016-07-29

Novel materials for high performance applications increasingly exhibit structural order on the nanometer length scale; a domain where crystallography, the basis of Rietveld refinement, fails [1]. In such instances the total scattering approach, which treats Bragg and diffuse scattering on an equal basis, is a powerful approach. In recent years, the analysis of the total scattering data became an invaluable tool and the gold standard for studying nanocrystalline, nanoporous, and disordered crystalline materials. The data may be analyzed in reciprocal space directly, or Fourier transformed to the real-space atomic pair distribution function (PDF) and this intuitive function examined for localmore » structural information. Here we give a number of illustrative examples, for convenience picked from our own work, of recent developments and applications of total scattering and PDF analysis to novel complex materials. There are many other wonderful examples from the work of others.« less

On the road to metallic nanoparticles by rational design: bridging the gap between atomic-level theoretical modeling and reality by total scattering experiments.

PubMed

Prasai, Binay; Wilson, A R; Wiley, B J; Ren, Y; Petkov, Valeri

2015-11-14

The extent to which current theoretical modeling alone can reveal real-world metallic nanoparticles (NPs) at the atomic level was scrutinized and demonstrated to be insufficient and how it can be improved by using a pragmatic approach involving straightforward experiments is shown. In particular, 4 to 6 nm in size silica supported Au(100-x)Pd(x) (x = 30, 46 and 58) explored for catalytic applications is characterized structurally by total scattering experiments including high-energy synchrotron X-ray diffraction (XRD) coupled to atomic pair distribution function (PDF) analysis. Atomic-level models for the NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modeling Sutton-Chen (SC) method. Models are matched against independent experimental data and are demonstrated to be inaccurate unless their theoretical foundation, i.e. the SC method, is supplemented with basic yet crucial information on the length and strength of metal-to-metal bonds and, when necessary, structural disorder in the actual NPs studied. An atomic PDF-based approach for accessing such information and implementing it in theoretical modeling is put forward. For completeness, the approach is concisely demonstrated on 15 nm in size water-dispersed Au particles explored for bio-medical applications and 16 nm in size hexane-dispersed Fe48Pd52 particles explored for magnetic applications as well. It is argued that when "tuned up" against experiments relevant to metals and alloys confined to nanoscale dimensions, such as total scattering coupled to atomic PDF analysis, rather than by mere intuition and/or against data for the respective solids, atomic-level theoretical modeling can provide a sound understanding of the synthesis-structure-property relationships in real-world metallic NPs. Ultimately this can help advance nanoscience and technology a step closer to producing metallic NPs by rational design.

Hierarchy of Supercurrents in Multicomponent Atomic Josephson Vortices

NASA Astrophysics Data System (ADS)

Kaurov, Vitaliy

2009-03-01

We show that a quasi-1D long atomic Josephson junction [1,2] containing a mixture of BECs can sustain multi-component Josephson vortices (mJV). A new exact soliton solution is given to describe a stationary mJV in the general N-component case. Depending on system parameters (scattering lengths, tunneling strengths, and chemical potentials) Josephson supercurrents of different components form a hierarchy according to their intensity and proximity to phase slip. By tuning the parameters it is possible to turn off or on particular currents using the JV -- dark soliton interconversion effect [1,2]. Inside the mJV different components may circulate either in the same or opposite directions resulting in bulk super-counter-flow in the latter case. The weak tunneling limit can be described by a modified Sine-Gordon model. An approximate solution for mJV propagating along the junction is found for the two-component case. The degeneracy of stationary mJV with respect to co-flow or counter-flow configurations is lifted by the uniform motion of mJV. Which configuration is energetically preferable depends on the interspecies scattering length. [1] V. M. Kaurov and A. B. Kuklov, Phys. Rev. A 71, 011601(R) (2005). [2] V. M. Kaurov and A. B. Kuklov, Phys. Rev. A 73, 013627 (2006).

NIMROD: The Near and InterMediate Range Order Diffractometer of the ISIS second target station.

PubMed

Bowron, D T; Soper, A K; Jones, K; Ansell, S; Birch, S; Norris, J; Perrott, L; Riedel, D; Rhodes, N J; Wakefield, S R; Botti, A; Ricci, M-A; Grazzi, F; Zoppi, M

2010-03-01

NIMROD is the Near and InterMediate Range Order Diffractometer of the ISIS second target station. Its design is optimized for structural studies of disordered materials and liquids on a continuous length scale that extends from the atomic, upward of 30 nm, while maintaining subatomic distance resolution. This capability is achieved by matching a low and wider angle array of high efficiency neutron scintillation detectors to the broad band-pass radiation delivered by a hybrid liquid water and liquid hydrogen neutron moderator assembly. The capabilities of the instrument bridge the gap between conventional small angle neutron scattering and wide angle diffraction through the use of a common calibration procedure for the entire length scale. This allows the instrument to obtain information on nanoscale systems and processes that are quantitatively linked to the local atomic and molecular order of the materials under investigation.

Measurements of Atomic Rayleigh Scattering Cross-Sections: A New Approach Based on Solid Angle Approximation and Geometrical Efficiency

NASA Astrophysics Data System (ADS)

Rao, D. V.; Takeda, T.; Itai, Y.; Akatsuka, T.; Seltzer, S. M.; Hubbell, J. H.; Cesareo, R.; Brunetti, A.; Gigante, G. E.

Atomic Rayleigh scattering cross-sections for low, medium and high Z atoms are measured in vacuum using X-ray tube with a secondary target as an excitation source instead of radioisotopes. Monoenergetic Kα radiation emitted from the secondary target and monoenergetic radiation produced using two secondary targets with filters coupled to an X-ray tube are compared. The Kα radiation from the second target of the system is used to excite the sample. The background has been reduced considerably and the monochromacy is improved. Elastic scattering of Kα X-ray line energies of the secondary target by the sample is recorded with Hp Ge and Si (Li) detectors. A new approach is developed to estimate the solid angle approximation and geometrical efficiency for a system with experimental arrangement using X-ray tube and secondary target. The variation of the solid angle is studied by changing the radius and length of the collimators towards and away from the source and sample. From these values the variation of the total solid angle and geometrical efficiency is deduced and the optimum value is used for the experimental work. The efficiency is larger because the X-ray fluorescent source acts as a converter. Experimental results based on this system are compared with theoretical estimates and good agreement is observed in between them.

An experimental study of air-assist atomizer spray flames

NASA Technical Reports Server (NTRS)

Mao, Chien-Pei; Wang, Geng; Chigier, Norman

1988-01-01

It is noted that air-assisted atomizer spray flames encountered in furnaces, boilers, and gas turbine combustors possess a more complex structure than homogeneous turbulent diffusion flames, due to the swirling motion introduced into the fuel and air flows for the control of flame stability, length, combustion intensity, and efficiency. Detailed comparisons are presented between burning and nonburning condition measurements of these flames obtained by nonintrusive light scattering phase/Doppler detection. Spray structure is found to be drastically changed within the flame reaction zone, with changes in the magnitude and shape of drop number density, liquid flux, mean drop size diameter, and drop mean axial velocity radial distributions.

A comparative study of inelastic scattering models at energy levels ranging from 0.5 keV to 10 keV

NASA Astrophysics Data System (ADS)

Hu, Chia-Yu; Lin, Chun-Hung

2017-03-01

Six models, including a single-scattering model, four hybrid models, and one dielectric function model, were evaluated using Monte Carlo simulations for aluminum and copper at incident beam energies ranging from 0.5 keV to 10 keV. The inelastic mean free path, mean energy loss per unit path length, and backscattering coefficients obtained by these models are compared and discussed to understand the merits of the various models. ANOVA (analysis of variance) statistical models were used to quantify the effects of inelastic cross section and energy loss models on the basis of the simulated results deviation from the experimental data for the inelastic mean free path, the mean energy loss per unit path length, and the backscattering coefficient, as well as their correlations. This work in this study is believed to be the first application of ANOVA models towards evaluating inelastic electron beam scattering models. This approach is an improvement over the traditional approach which involves only visual estimation of the difference between the experimental data and simulated results. The data suggests that the optimization of the effective electron number per atom, binding energy, and cut-off energy of an inelastic model for different materials at different beam energies is more important than the selection of inelastic models for Monte Carlo electron scattering simulation. During the simulations, parameters in the equations should be tuned according to different materials for different beam energies rather than merely employing default parameters for an arbitrary material. Energy loss models and cross-section formulas are not the main factors influencing energy loss. Comparison of the deviation of the simulated results from the experimental data shows a significant correlation (p < 0.05) between the backscattering coefficient and energy loss per unit path length. The inclusion of backscattering electrons generated by both primary and secondary electrons for backscattering coefficient simulation is recommended for elements with high atomic numbers. In hybrid models, introducing the inner shell ionization model improves the accuracy of simulated results.

Hydrogen atoms can be located accurately and precisely by x-ray crystallography.

PubMed

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-05-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A-H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A-H bond lengths with those from neutron measurements for A-H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors.

Hydrogen atoms can be located accurately and precisely by x-ray crystallography

PubMed Central

Woińska, Magdalena; Grabowsky, Simon; Dominiak, Paulina M.; Woźniak, Krzysztof; Jayatilaka, Dylan

2016-01-01

Precise and accurate structural information on hydrogen atoms is crucial to the study of energies of interactions important for crystal engineering, materials science, medicine, and pharmacy, and to the estimation of physical and chemical properties in solids. However, hydrogen atoms only scatter x-radiation weakly, so x-rays have not been used routinely to locate them accurately. Textbooks and teaching classes still emphasize that hydrogen atoms cannot be located with x-rays close to heavy elements; instead, neutron diffraction is needed. We show that, contrary to widespread expectation, hydrogen atoms can be located very accurately using x-ray diffraction, yielding bond lengths involving hydrogen atoms (A–H) that are in agreement with results from neutron diffraction mostly within a single standard deviation. The precision of the determination is also comparable between x-ray and neutron diffraction results. This has been achieved at resolutions as low as 0.8 Å using Hirshfeld atom refinement (HAR). We have applied HAR to 81 crystal structures of organic molecules and compared the A–H bond lengths with those from neutron measurements for A–H bonds sorted into bonds of the same class. We further show in a selection of inorganic compounds that hydrogen atoms can be located in bridging positions and close to heavy transition metals accurately and precisely. We anticipate that, in the future, conventional x-radiation sources at in-house diffractometers can be used routinely for locating hydrogen atoms in small molecules accurately instead of large-scale facilities such as spallation sources or nuclear reactors. PMID:27386545

Clusters in intense x-ray pulses

NASA Astrophysics Data System (ADS)

Bostedt, Christoph

2012-06-01

Free-electron lasers can deliver extremely intense, coherent x-ray flashes with femtosecond pulse length, opening the door for imaging single nanoscale objects in a single shot. All matter irradiated by these intense x-ray pulses, however, will be transformed into a highly-excited non-equilibrium plasma within femtoseconds. During the x-ray pulse complex electron dynamics and the onset of atomic disorder will be induced, leading to a time-varying sample. We have performed first experiments about x-ray laser pulse -- cluster interaction with a combined spectroscopy and imaging approach at both, the FLASH free electron laser in Hamburg (Germany) and the LCLS x-ray free-electron laser in Stanford (California). Atomic clusters are ideal for investigating the light - matter interaction because their size can be tuned from the molecular to the bulk regime, thus allowing to distinguish between intra and inter atomic processes. Imaging experiments with xenon clusters show power-density dependent changes in the scattering patterns. Modeling the scattering data indicates that the optical constants of the clusters change during the femtosecond pulse due to the transient creation of high charge states. The results show that ultra fast scattering is a promising approach to study transient states of matter on a femtosecond time scale. Coincident recording of time-of-flight spectra and scattering patterns allows the deconvolution of focal volume and particle size distribution effects. Single-shot single-particle experiments with keV x-rays reveal that for the highest power densities an highly excited and hot cluster plasma is formed for which recombination is suppressed. Time resolved infrared pump -- x-ray probe experiments have started. Here, the clusters are pumped into a nanoplasma state and their time evolution is probed with femtosecond x-ray scattering. The data show strong variations in the scattering patterns stemming from electronic reconfigurations in the cluster plasma. The results will be compared to theoretical predictions and discussed in light of current developments at free-electron laser sources.

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.

Structure of single-supported DMPC lipid bilayer membranes as a function of hydration level studied by neutron reflectivity and Atomic Force Microscopy

NASA Astrophysics Data System (ADS)

Miskowiec, A.; Schnase, P.; Bai, M.; Taub, H.; Hansen, F. Y.; Dubey, M.; Singh, S.; Majewski, J.

2012-02-01

We have recently been investigating the diffusion of water on single-supported DMPC lipid bilayer membranes at different levels of hydration, using high-resolution quasielastic neutron scattering (QNS). To aid in the interpretation of these QNS studies, we have conducted neutron reflectivity (NR) measurements on SPEAR at LANSCE to characterize the structure of similarly prepared samples. Protonated DMPC membranes were deposited onto SiO2-coated Si(100) substrates and characterized by Atomic Force Microscopy (AFM) at different levels of hydration. We find reasonable agreement between the membrane thickness determined by NR and AFM at room temperature. We also find consistency between the scattering length density (SLD) profile in the vicinity of the upper leaflet of the supported DMPC membrane and that found in a molecular dynamics simulation of a freestanding membrane at 303 K. However, the fit to the reflectivity curve can be improved by modifying the SLD profile near the leaflet closest to the SiO2 surface.

On the Paramagnetic Inelastic Scattering of Neutrons due to Ions in the Anisotropic Crystalline Field

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

Yamada, Yasusada

1960-03-15

The paramagnetic inelastic scattering of neutrons due to ions of3d transition elements in the anisotropic crystalline field was considered. When the orbital momentum of the paramagnetic tons is not quenched, the spin states are no longer degenerate but split into discrete levels. The transition between these levels can occur by mugnetic dipole interaction of ions with neutrons. In the special case of FeCl/sub 2/, an antiferromagnetic crystal whose Neel temperature is 24 deg K, the calculation of the forward scuttering cross-sections of neutrons at various temperatures and wave lengths was carried out which showed that it is possible, under ordinarymore » conditions, to observe the inelastically scattered neutrons and hence to obtain information about the energy level scheme of the atomic spin in the cry stal. (auth)« less

Faraday spectroscopy of ultracold atoms guided in hollow core optical fibers

NASA Astrophysics Data System (ADS)

Fatemi, Fredrik; Pechkis, Joseph

2013-05-01

We have performed spatially and temporally resolved magnetometry using Faraday spectroscopy of ultracold rubidium atoms confined in hollow core optical fibers. We first guide 105 Rb atoms into a 3-cm-long, 100-micron-core hollow fiber using blue-detuned hollow waveguide modes. Inside the fiber, the atoms are exposed to an optical pumping pulse, and the Larmor precession is monitored by the polarization rotation of a probe laser beam detuned by 50 GHz. The intense guide beams can perturb the detected Larmor precession frequencies, but we show that by confining the atoms to the intensity null of higher order blue-detuned hollow modes, these perturbations are reduced by over 95% compared to red-detuned guides. By adjusting the guide beam detuning and polarization, the deleterious effects of both photon scattering and frequency shifts can be suppressed such that multiple magnetic field measurements with sensitivity of 30 nT per sampling pulse can be obtained throughout the length of the fiber in a single loading cycle. Work supported by ONR and DARPA.

Potential Energy Curves and Transport Properties for the Interaction of He with Other Ground-state Atoms

NASA Technical Reports Server (NTRS)

Partridge, Harry; Stallcop, James R.; Levin, Eugene; Arnold, Jim (Technical Monitor)

2001-01-01

The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.

Scattering of fast electrons by vapour-atoms and by solid-atoms - A comparison

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

Joshipura, K.N.; Mohanan, S.

1988-08-01

A comparative theoretical study has been done on the scattering of fast electrons by free (vapour) atoms and bound (solid) atoms, in particular, the alkali atoms, Al and Cu. The Born differential cross-sections (DCS), calculated with the static plus polarization electron-atom potential, are found in general, to be larger for free atoms that for bound atoms, at least at small angles of scattering. For Rb and Cs the two DCS tend to merge at very large angles only. The sample incident energies chosen are 400 eV and above.

Plasmon enhanced Raman scattering effect for an atom near a carbon nanotube

DOE PAGES

Bondarev, I. V.

2015-01-01

Quantum electrodynamics theory of the resonance Raman scattering is developed for an atom in a close proximity to a carbon nanotube. The theory predicts a dramatic enhancement of the Raman intensity in the strong atomic coupling regime to nanotube plasmon near-fields. This resonance scattering is a manifestation of the general electromagnetic surface enhanced Raman scattering effect, and can be used in designing efficient nanotube based optical sensing substrates for single atom detection, precision spontaneous emission control, and manipulation.

Hydrogen adsorption site on the Ni?110?-p(1 × 2)-H surface from time-of-flight scattering and recoiling spectrometry (TOF-SARS)

NASA Astrophysics Data System (ADS)

Bu, H.; Roux, C. D.; Rabalais, J. W.

The adsorption site of hydrogen on the Ni{110}-p(1 × 2)-H surface resulting from saturation exposure to H 2 at ˜ 310-350 K has been investigated by time-of-flight scattering and recoiling spectrometry (TOF-SARS). The recoiled neutral plus ion hydrogen atom flux resulting from 2-5 keV Ar + or Ne + pulsed ion beams incident on the surface was monitored as a function of crystal azimuthal angle and beam incidence angle. From classical trajectory calculations and shadowing and blocking analyses, it is concluded that hydrogen atoms are localized at the pseudo-three-fold sites on the (1 × 2) missing-row (MR) reconstructed Ni{110} surface; the (1 × 2) MR reconstruction is induced by hydrogen adsorption shown elsewhere [Surf. Sci. 259 (1991) 253]. Only the pseudo-three-fold site is consistent with all of the experimental data. The coordinates of the hydrogen adsorption site with respect to the nickel lattice were determined. The lateral distance of hydrogen from the 1st-layer Ni <1 overline10> rows is 1.56 ± 0.12 Å and the vertical distance above the substrate is 0.21 ± 0.12 Å, providing NiH bond lengths of 2.0 Å to the two-layer Ni atoms and 1.5 Å to the 2nd-layer Ni atom.

Quantum Simulation

NASA Astrophysics Data System (ADS)

Orzel, Chad

2017-06-01

One of the most active areas in atomic, molecular and optical physics is the use of ultracold atomic gases in optical lattices to simulate the behaviour of electrons in condensed matter systems. The larger mass, longer length scale, and tuneable interactions in these systems allow the dynamics of atoms moving in these systems to be followed in real time, and resonant light scattering by the atoms allows this motion to be probed on a microscopic scale using site-resolved imaging. This book reviews the physics of Hubbard-type models for both bosons and fermions in an optical lattice, which give rise to a rich variety of insulating and conducting phases depending on the lattice properties and interparticle interactions. It also discusses the effect of disorder on the transport of atoms in these models, and the recently discovered phenomenon of many-body localization. It presents several examples of experiments using both density and momentum imaging and quantum gas microscopy to study the motion of atoms in optical lattices. These illustrate the power and flexibility of ultracold-lattice analogues for exploring exotic states of matter at an unprecedented level of precision.

Attenuation of Scattered Thermal Energy Atomic Oxygen

NASA Technical Reports Server (NTRS)

Banks, Bruce a.; Seroka, Katelyn T.; McPhate, Jason B.; Miller, Sharon K.

2011-01-01

The attenuation of scattered thermal energy atomic oxygen is relevant to the potential damage that can occur within a spacecraft which sweeps through atomic oxygen in low Earth orbit (LEO). Although there can be significant oxidation and resulting degradation of polymers and some metals on the external surfaces of spacecraft, there are often openings on a spacecraft such as telescope apertures, vents, and microwave cavities that can allow atomic oxygen to enter and scatter internally to the spacecraft. Atomic oxygen that enters a spacecraft can thermally accommodate and scatter to ultimately react or recombine on surfaces. The atomic oxygen that does enter a spacecraft can be scavenged by use of high erosion yield polymers to reduce its reaction on critical surfaces and materials. Polyoxymethylene and polyethylene can be used as effective atomic oxygen scavenging polymers.

Real-time growth study of plasma assisted atomic layer epitaxy of InN films by synchrotron x-ray methods

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

Nepal, Neeraj; Anderson, Virginia R.; Johnson, Scooter D.

The temporal evolution of high quality indium nitride (InN) growth by plasma-assisted atomic layer epitaxy (ALEp) on a-plane sapphire at 200 and 248 °C was probed by synchrotron x-ray methods. The growth was carried out in a thin film growth facility installed at beamline X21 of the National Synchrotron Light Source at Brookhaven National Laboratory and at beamline G3 of the Cornell High Energy Synchrotron Source, Cornell University. Measurements of grazing incidence small angle x-ray scattering (GISAXS) during the initial cycles of growth revealed a broadening and scattering near the diffuse specular rod and the development of scattering intensities duemore » to half unit cell thick nucleation islands in the Yoneda wing with correlation length scale of 7.1 and 8.2 nm, at growth temperatures (Tg) of 200 and 248 °C, respectively. At about 1.1 nm (two unit cells) of growth thickness nucleation islands coarsen, grow, and the intensity of correlated scattering peak increased at the correlation length scale of 8.0 and 8.7 nm for Tg = 200 and 248 °C, respectively. The correlated peaks at both growth temperatures can be fitted with a single peak Lorentzian function, which support single mode growth. Post-growth in situ x-ray reflectivity measurements indicate a growth rate of ~0.36 Å/cycle consistent with the growth rate previously reported for self-limited InN growth in a commercial ALEp reactor. Consistent with the in situ GISAXS study, ex situ atomic force microscopy power spectral density measurements also indicate single mode growth. Electrical characterization of the resulting film revealed an electron mobility of 50 cm2/V s for a 5.6 nm thick InN film on a-plane sapphire, which is higher than the previously reported mobility of much thicker InN films grown at higher temperature by molecular beam epitaxy directly on sapphire. These early results indicated that in situ synchrotron x-ray study of the epitaxial growth kinetics of InN films is a very powerful method to understand nucleation and growth mechanisms of ALEp to enable improvement in material quality and broaden its application.« less

Time-resolved scattering of a single photon by a single atom

PubMed Central

Leong, Victor; Seidler, Mathias Alexander; Steiner, Matthias; Cerè, Alessandro; Kurtsiefer, Christian

2016-01-01

Scattering of light by matter has been studied extensively in the past. Yet, the most fundamental process, the scattering of a single photon by a single atom, is largely unexplored. One prominent prediction of quantum optics is the deterministic absorption of a travelling photon by a single atom, provided the photon waveform matches spatially and temporally the time-reversed version of a spontaneously emitted photon. Here we experimentally address this prediction and investigate the influence of the photon's temporal profile on the scattering dynamics using a single trapped atom and heralded single photons. In a time-resolved measurement of atomic excitation we find a 56(11)% increase of the peak excitation by photons with an exponentially rising profile compared with a decaying one. However, the overall scattering probability remains unchanged within the experimental uncertainties. Our results demonstrate that envelope tailoring of single photons enables precise control of the photon–atom interaction. PMID:27897173

Classical And Quantum Rainbow Scattering From Surfaces

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

Winter, H.; Schueller, A.; Busch, M.

2011-06-01

The structure of clean and adsorbate covered surfaces as well as of ultrathin films can be investigated by grazing scattering of fast atoms. We present two recent experimental techniques which allow one to study the structure of ordered arrangements of surface atoms in detail. (1) Rainbow scattering under axial surface channeling conditions, and (2) fast atom diffraction. Our examples demonstrate the attractive features of grazing fast atom scattering as a powerful analytical tool in studies on the structure of surfaces. We will concentrate our discussion on the structure of ultrathin silica films on a Mo(112) surface and of adsorbed oxygenmore » atoms on a Fe(110) surface.« less

Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

PubMed Central

Milani, Alberto; Tommasini, Matteo; Russo, Valeria; Li Bassi, Andrea; Lucotti, Andrea; Cataldo, Franco

2015-01-01

Summary Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context, atomic-scale wires comprised of sp-hybridized carbon atoms represent ideal 1D systems to potentially downscale devices to the atomic level. Carbon-atom wires (CAWs) can be arranged in two possible structures: a sequence of double bonds (cumulenes), resulting in a 1D metal, or an alternating sequence of single–triple bonds (polyynes), expected to show semiconducting properties. The electronic and optical properties of CAWs can be finely tuned by controlling the wire length (i.e., the number of carbon atoms) and the type of termination (e.g., atom, molecular group or nanostructure). Although linear, sp-hybridized carbon systems are still considered elusive and unstable materials, a number of nanostructures consisting of sp-carbon wires have been produced and characterized to date. In this short review, we present the main CAW synthesis techniques and stabilization strategies and we discuss the current status of the understanding of their structural, electronic and vibrational properties with particular attention to how these properties are related to one another. We focus on the use of vibrational spectroscopy to provide information on the structural and electronic properties of the system (e.g., determination of wire length). Moreover, by employing Raman spectroscopy and surface enhanced Raman scattering in combination with the support of first principles calculations, we show that a detailed understanding of the charge transfer between CAWs and metal nanoparticles may open the possibility to tune the electronic structure from alternating to equalized bonds. PMID:25821689

Positronium collisions with atoms and molecules

NASA Astrophysics Data System (ADS)

Fabrikant, I. I.; Gribakin, G. F.; Wilde, R. S.

2017-11-01

We review recent theoretical efforts to explain observed similarities between electron-atom and positronium(Ps)-atom scattering which also extends to molecular targets. In the range of the projectile velocities above the threshold for Ps ionization (break-up) this similarity can be explained in terms of quasi-free electron scattering and impulse approximation. However, for lower Ps velocities more sophisticated methods should be developed. Our calculations of Ps scattering by heavy noble-gas atoms agree well with experiments at Ps velocities above the Ps ionization threshold. However, in contrast to electron scattering cross sections, at lower velocities they exhibit maxima whereas the experimental cross sections tend to decrease toward lower velocities indicating the same similarity with electron scattering cross section observed above the threshold. Our preliminary results for Ps-N2 scattering confirm experimental observation of a resonance similar to the ∏ g resonance in electron-N2 scattering.

Mesoscopic coherence in light scattering from cold, optically dense and disordered atomic systems

NASA Astrophysics Data System (ADS)

Kupriyanov, D. V.; Sokolov, I. M.; Havey, M. D.

2017-02-01

Coherent effects manifested in light scattering from cold, optically dense and disordered atomic systems are reviewed from a primarily theoretical point of view. Development of the basic theoretical tools is then elaborated through several physical atomic physics based processes which have been at least partly explored experimentally. These include illustrations drawn from the coherent backscattering effect, random lasing in atomic gases, quantum memories and light-atoms interface assisted by the light trapping mechanism. Current understanding and challenges associated with the transition to high atomic densities and cooperativity in the scattering process are also discussed in some detail.

Hierarchical Architecturing for Layered Thermoelectric Sulfides and Chalcogenides.

PubMed

Jood, Priyanka; Ohta, Michihiro

2015-03-16

Sulfides are promising candidates for environment-friendly and cost-effective thermoelectric materials. In this article, we review the recent progress in all-length-scale hierarchical architecturing for sulfides and chalcogenides, highlighting the key strategies used to enhance their thermoelectric performance. We primarily focus on TiS₂-based layered sulfides, misfit layered sulfides, homologous chalcogenides, accordion-like layered Sn chalcogenides, and thermoelectric minerals. CS₂ sulfurization is an appropriate method for preparing sulfide thermoelectric materials. At the atomic scale, the intercalation of guest atoms/layers into host crystal layers, crystal-structural evolution enabled by the homologous series, and low-energy atomic vibration effectively scatter phonons, resulting in a reduced lattice thermal conductivity. At the nanoscale, stacking faults further reduce the lattice thermal conductivity. At the microscale, the highly oriented microtexture allows high carrier mobility in the in-plane direction, leading to a high thermoelectric power factor.

Local atomic and magnetic structure of dilute magnetic semiconductor (Ba ,K ) (Zn,Mn ) 2As2

NASA Astrophysics Data System (ADS)

Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; Banerjee, Soham; Chen, Bijuan; Jin, Changqing; Feygenson, Mikhail; Uemura, Yasutomo J.; Billinge, Simon J. L.

2016-09-01

We have studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba ,K )(Zn ,Mn )2As2 through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. We detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-defined local orthorhombic structure on a short length scale of ≲5 Å , resulting in a rather asymmetrical local environment of the Mn and As ions. Finally, the magnetic PDF revealed ferromagnetic alignment of Mn spins along the crystallographic c axis, with robust nearest-neighbor ferromagnetic correlations that exist even above the ferromagnetic ordering temperature. We discuss these results in the context of other experiments and theoretical studies on this system.

Hierarchical Architecturing for Layered Thermoelectric Sulfides and Chalcogenides

PubMed Central

Jood, Priyanka; Ohta, Michihiro

2015-01-01

Sulfides are promising candidates for environment-friendly and cost-effective thermoelectric materials. In this article, we review the recent progress in all-length-scale hierarchical architecturing for sulfides and chalcogenides, highlighting the key strategies used to enhance their thermoelectric performance. We primarily focus on TiS2-based layered sulfides, misfit layered sulfides, homologous chalcogenides, accordion-like layered Sn chalcogenides, and thermoelectric minerals. CS2 sulfurization is an appropriate method for preparing sulfide thermoelectric materials. At the atomic scale, the intercalation of guest atoms/layers into host crystal layers, crystal-structural evolution enabled by the homologous series, and low-energy atomic vibration effectively scatter phonons, resulting in a reduced lattice thermal conductivity. At the nanoscale, stacking faults further reduce the lattice thermal conductivity. At the microscale, the highly oriented microtexture allows high carrier mobility in the in-plane direction, leading to a high thermoelectric power factor. PMID:28787992

Atomic displacements in the charge ice pyrochlore Bi2Ti2O6O' studied by neutron total scattering

NASA Astrophysics Data System (ADS)

Shoemaker, Daniel P.; Seshadri, Ram; Hector, Andrew L.; Llobet, Anna; Proffen, Thomas; Fennie, Craig J.

2010-04-01

The oxide pyrochlore Bi2Ti2O6O' is known to be associated with large displacements of Bi and O' atoms from their ideal crystallographic positions. Neutron total scattering, analyzed in both reciprocal and real space, is employed here to understand the nature of these displacements. Rietveld analysis and maximum entropy methods are used to produce an average picture of the structural nonideality. Local structure is modeled via large-box reverse Monte Carlo simulations constrained simultaneously by the Bragg profile and real-space pair distribution function. Direct visualization and statistical analyses of these models show the precise nature of the static Bi and O' displacements. Correlations between neighboring Bi displacements are analyzed using coordinates from the large-box simulations. The framework of continuous symmetry measures has been applied to distributions of O'Bi4 tetrahedra to examine deviations from ideality. Bi displacements from ideal positions appear correlated over local length scales. The results are consistent with the idea that these nonmagnetic lone-pair containing pyrochlore compounds can be regarded as highly structurally frustrated systems.

EFFECTS OF LASER RADIATION ON MATTER. LASER PLASMA: Characteristics of the scattering of neutral atoms by two counterpropagating pulsed optical fields

NASA Astrophysics Data System (ADS)

Grinchuk, V. A.; Grishina, I. A.; Kuzin, E. F.; Nagaeva, M. L.; Ryabenko, G. A.; Yakovlev, V. P.

1994-04-01

The scattering of neutral sodium atoms by a strong field of two counterpropagating (incident on and reflected from a mirror) short laser pulses was used in an experimental investigation of a stimulated radiation pressure. The reasons for the anomalous frequency structure in the scattering of atoms were identified. The oscillatory nature of the dependence of the scattering on the detuning from resonance was found to be significant in strong laser radiation fields. The oscillation period depended on the distance between the reflecting mirror and the atomic beam.

Surface Morphology of Liquid and Solid Thin Films via X-Ray Reflectivity.

NASA Astrophysics Data System (ADS)

Shindler, Joseph Daniel

X-ray reflectivity can be used to measure the spatial variations in the electron density on length scales from Angstroms to microns. It is sensitive to atomic scale roughness, interdiffusion in buried layers, the thickness of multilayer stacks, and in-plane correlations in each of these cases. We have pioneered the use of a high intensity, moderate resolution configuration for x-ray reflectivity which utilizes a bent crystal graphite monochromator. With this technique we can obtain a beam intensity one hundred times greater than is possible using the high resolution rotating anode configuration, while we have shown that the resulting instrumental resolution is appropriate for the vast majority of thin film work. For all of the systems studied, we were able to measure the weak diffuse scattering signal to probe the in-plane length scales of interfacial roughness, a measurement which had previously only been attempted at synchrotron sources. Studied systems include thin films and surfaces with a wide range of structural order and surface morphologies. Interest in liquid films has been of a fundamental nature. Theories on the expected film evolution with changing thickness and temperature are currently being tested with scattering experiments. We have pursued the issues of film/substrate wetting and conformality, focussing on the temperature dependence of these phenomena near the triple point. Despite the heterogeneity of the substrate potential, we see a very sharp wetting transition at or near the triple point, although below the triple point the film is still smooth, consistent with a uniform layer. We also see a loss of conformality as the fluid films thicken; this is consistent with theory and with other recent experiments. The properties of a multilayer solid film depend not only on the magnitude of the roughness of each interface, but also on the conformality between interfaces and the length scales of the roughness--i.e., whether the roughness is on the atomic lengths of interdiffusion, crystalline order lengths of faceting, or even longer lengths due to other processes. In a joint project with Alcoa, we combined the methods of x-ray Bragg diffraction and small angle reflectivity to probe aluminum thin films as precursors to true multilayer films, correlating grain size and orientation with the magnitude and length-scales of surface roughness. We also correlated all film properties with such parameters as the deposition method, substrate roughness, and film thickness.

Ionic scattering factors of atoms that compose biological molecules

PubMed Central

Matsuoka, Rei; Yamashita, Yoshiki; Yamane, Tsutomu; Kidera, Akinori; Maki-Yonekura, Saori

2018-01-01

Ionic scattering factors of atoms that compose biological molecules have been computed by the multi-configuration Dirac–Fock method. These ions are chemically unstable and their scattering factors had not been reported except for O−. Yet these factors are required for the estimation of partial charges in protein molecules and nucleic acids. The electron scattering factors of these ions are particularly important as the electron scattering curves vary considerably between neutral and charged atoms in the spatial-resolution range explored in structural biology. The calculated X-ray and electron scattering factors have then been parameterized for the major scattering curve models used in X-ray and electron protein crystallography and single-particle cryo-EM. The X-ray and electron scattering factors and the fitting parameters are presented for future reference. PMID:29755750

Synthesis-atomic structure-properties relationships in metallic nanoparticles by total scattering experiments and 3D computer simulations: case of Pt-Ru nanoalloy catalysts

NASA Astrophysics Data System (ADS)

Prasai, Binay; Ren, Yang; Shan, Shiyao; Zhao, Yinguang; Cronk, Hannah; Luo, Jin; Zhong, Chuan-Jian; Petkov, Valeri

2015-04-01

An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N2-H2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the observed enhancement of the catalytic activity of PtxRu100-x alloy NPs at x ~ 50. Implications of so-established relationships between the atomic structure and catalytic activity of Pt-Ru alloy NPs on efforts aimed at improving further the latter by tuning-up the former are discussed and the usefulness of detailed NP structure studies to advancing science and technology of metallic NPs - exemplified.An approach to determining the 3D atomic structure of metallic nanoparticles (NPs) in fine detail and using the unique knowledge obtained for rationalizing their synthesis and properties targeted for optimization is described and exemplified on Pt-Ru alloy NPs of importance to the development of devices for clean energy conversion such as fuel cells. In particular, PtxRu100-x alloy NPs, where x = 31, 49 and 75, are synthesized by wet chemistry and activated catalytically by a post-synthesis treatment involving heating under controlled N2-H2 atmosphere. So-activated NPs are evaluated as catalysts for gas-phase CO oxidation and ethanol electro-oxidation reactions taking place in fuel cells. Both as-synthesized and activated NPs are characterized structurally by total scattering experiments involving high-energy synchrotron X-ray diffraction coupled to atomic pair distribution functions (PDFs) analysis. 3D structure models both for as-synthesized and activated NPs are built by molecular dynamics simulations based on the archetypal for current theoretical modelling Sutton-Chen method. Models are refined against the experimental PDF data by reverse Monte Carlo simulations and analysed in terms of prime structural characteristics such as metal-to-metal bond lengths, bond angles and first coordination numbers for Pt and Ru atoms. Analysis indicates that, though of a similar type, the atomic structure of as-synthesized and respective activated NPs differ in several details of importance to NP catalytic properties. Structural characteristics of activated NPs and data for their catalytic activity are compared side by side and strong evidence found that electronic effects, indicated by significant changes in Pt-Pt and Ru-Ru metal bond lengths at NP surface, and practically unrecognized so far atomic ensemble effects, indicated by distinct stacking of atomic layers near NP surface and prevalence of particular configurations of Pt and Ru atoms in these layers, contribute to the observed enhancement of the catalytic activity of PtxRu100-x alloy NPs at x ~ 50. Implications of so-established relationships between the atomic structure and catalytic activity of Pt-Ru alloy NPs on efforts aimed at improving further the latter by tuning-up the former are discussed and the usefulness of detailed NP structure studies to advancing science and technology of metallic NPs - exemplified. Electronic supplementary information (ESI) available: XRD patterns, TEM and 3D structure modelling methodology. See DOI: 10.1039/c5nr00800j

Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

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

Sakuma, Takashi, E-mail: sakuma@mx.ibaraki.ac.jp; Makhsun,; Sakai, Ryutaro

2015-04-16

Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10 K and 295 K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295 K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

Intershell correlations in Compton photon scattering by an atom

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

Hopersky, Alexey N.; Nadolinsky, Alexey M.; Novikov, Sergey A.

The role of the intershell correlation effect is theoretically investigated using the example of the Ne atom in nonresonance Compton high-energy x-ray photon scattering by a free atom. The calculation results qualitatively reproduce the same results in the formalism of the generalized oscillator strength and the random phase approximation with exchange for the Compton photon and electron scattering by an atom; when the incident photon energy is 11 keV and the scattering angle is 90 deg., they correspond well with the results of the synchrotron experiment presented in the work by Jung et al. [Phys. Rev. Lett. 81, 1596 (1998)].

Master equation theory applied to the redistribution of polarized radiation in the weak radiation field limit. III. Theory for the multilevel atom

NASA Astrophysics Data System (ADS)

Bommier, Véronique

2016-06-01

Context. We discuss the case of lines formed by scattering, which comprises both coherent and incoherent scattering. Both processes contribute to form the line profiles in the so-called second solar spectrum, which is the spectrum of the linear polarization of such lines observed close to the solar limb. However, most of the lines cannot be simply modeled with a two-level or two-term atom model, and we present a generalized formalism for this purpose. Aims: The aim is to obtain a formalism that is able to describe scattering in line centers (resonant scattering or incoherent scattering) and in far wings (Rayleigh/Raman scattering or coherent scattering) for a multilevel and multiline atom. Methods: The method is designed to overcome the Markov approximation, which is often performed in the atom-photon interaction description. The method was already presented in the two first papers of this series, but the final equations of those papers were for a two-level atom. Results: We present here the final equations generalized for the multilevel and multiline atom. We describe the main steps of the theoretical development, and, in particular, how we performed the series development to overcome the Markov approximation. Conclusions: The statistical equilibrium equations for the atomic density matrix and the radiative transfer equation coefficients are obtained with line profiles. The Doppler redistribution is also taken into account because we show that the statistical equilibrium equations must be solved for each atomic velocity class.

Spectra of helium clusters with up to six atoms using soft-core potentials

NASA Astrophysics Data System (ADS)

Gattobigio, M.; Kievsky, A.; Viviani, M.

2011-11-01

In this paper, we investigate small clusters of helium atoms using the hyperspherical harmonic basis. We consider systems with A=2,3,4,5,6 atoms with an interparticle potential which does not present a strong repulsion at short distances. We use an attractive Gaussian potential that reproduces the values of the dimer binding energy, the atom-atom scattering length, and the effective range obtained with one of the widely used He-He interactions, the Aziz and Slaman potential, called LM2M2. In systems with more than two atoms, we consider a repulsive three-body force that, by construction, reproduces the trimer binding energy of the LM2M2 potential. With this model, consisting of the sum of a two- and three-body potential, we have calculated the spectrum of clusters formed by four, five, and six helium atoms. We have found that these systems present two bound states, one deep and one shallow, close to the threshold fixed by the energy of the (A-1)-atom system. Universal relations between the energies of the excited state of the A-atom system and the ground-state energy of the (A-1)-atom system are extracted, as well as the ratio between the ground state of the A-atom system and the ground-state energy of the trimer.

Intrinsic to extrinsic phonon lifetime transition in a GaAs-AlAs superlattice.

PubMed

Hofmann, F; Garg, J; Maznev, A A; Jandl, A; Bulsara, M; Fitzgerald, E A; Chen, G; Nelson, K A

2013-07-24

We have measured the lifetimes of two zone-center longitudinal acoustic phonon modes, at 320 and 640 GHz, in a 14 nm GaAs/2 nm AlAs superlattice structure. By comparing measurements at 296 and 79 K we separate the intrinsic contribution to phonon lifetime determined by phonon-phonon scattering from the extrinsic contribution due to defects and interface roughness. At 296 K, the 320 GHz phonon lifetime has approximately equal contributions from intrinsic and extrinsic scattering, whilst at 640 GHz it is dominated by extrinsic effects. These measurements are compared with intrinsic and extrinsic scattering rates in the superlattice obtained from first-principles lattice dynamics calculations. The calculated room-temperature intrinsic lifetime of longitudinal phonons at 320 GHz is in agreement with the experimentally measured value of 0.9 ns. The model correctly predicts the transition from predominantly intrinsic to predominantly extrinsic scattering; however the predicted transition occurs at higher frequencies. Our analysis indicates that the 'interfacial atomic disorder' model is not entirely adequate and that the observed frequency dependence of the extrinsic scattering rate is likely to be determined by a finite correlation length of interface roughness.

Coherent Multiple Light Scattering in Ultracold Atomic Rb

NASA Astrophysics Data System (ADS)

Kulatunga, Pasad; Sukenik, C. I.; Balik, Salim; Havey, M. D.; Kupriyanov, D. V.; Sokolov, I. M.

2003-05-01

Wave transport in mesoscopic systems can be strongly influenced by coherent multiple scattering,which can lead to novel magneto-optic, transmission, and backscattering effects of light in atomic vapors. Although related to traditional studies of radiation trapping, in ultracold vapors negligible frequency or phase redistribution takes place in the scattering, and high-order coherent light scattering occurs. Among other things, this leads to enhancement of the influence of otherwise small non-resonant terms in the scattering amplitudes. We report investigation of multiple coherent light scattering from ultracold Rb atoms confined in a magneto-optic trap (MOT). In experimental studies, measurements are made of the angular, spectral, and polarization-dependent coherent backscattering profile of a low-intensity probe beam tuned near the F = 3 - F' = 4 hyperfine transition. The influence of higher probe beam intensity is also studied. In a theoretical study of angular intensity enhancement of backscattered light, we consider scattering orders up to 10 and a realistic and asymmetric Gaussian atom distribution in the MOT. Supported by NSF, NATO, and RFBR.

XUV and x-ray elastic scattering of attosecond electromagnetic pulses on atoms

NASA Astrophysics Data System (ADS)

Rosmej, F. B.; Astapenko, V. A.; Lisitsa, V. S.

2017-12-01

Elastic scattering of electromagnetic pulses on atoms in XUV and soft x-ray ranges is considered for ultra-short pulses. The inclusion of the retardation term, non-dipole interaction and an efficient scattering tensor approximation allowed studying the scattering probability in dependence of the pulse duration for different carrier frequencies. Numerical calculations carried out for Mg, Al and Fe atoms demonstrate that the scattering probability is a highly nonlinear function of the pulse duration and has extrema for pulse carrier frequencies in the vicinity of the resonance-like features of the polarization charge spectrum. Closed expressions for the non-dipole correction and the angular dependence of the scattered radiation are obtained.

Investigating the interfacial dynamics of thin films

NASA Astrophysics Data System (ADS)

Rosenbaum, Aaron W.

This thesis probes the interfacial dynamics and associated phenomena of thin films. Surface specific tools were used to study the self-assembly of alkanethiols, the mono- and bilayer dynamics of SF6, and the surface motion of poly(methyl methacrylate). Non-pertubative helium atom scattering was the principal technique used to investigate these systems. A variety of other complementary tools, including scanning tunneling microscopy, electron diffraction, Auger spectroscopy, atomic force microscopy, and ellipsometry were used in tandem with the neutral atom scattering studies. Controlling the spontaneous assembly of alkanethiols on Au(111) requires a better fundamental understanding of the adsorbate-adsorbate and substrate-adsorbate interactions. Our characterization focused on two key components, the surface structure and adsorbate vibrations. The study indicates that the Au(111) reconstruction plays a larger role than anticipated in the low-density phase of alkanethiol monolayers. A new structure is proposed for the 1-decanethiol monolayer that impacts the low-energy vibrational mode. Varying the alkane chain lengths imparts insight into the assembly process via characterization of a dispersionless phonon mode. Studies of SF6 physisorbed on Au(111) bridge surface research on rare gas adsorbates with complicated dynamical organic thin films. Mono- and bilayer coverages of SF6/Au(111) were studied at cryogenic temperatures. Our experiments probed the surface properties of SF6 yielding insights into substrate and coverage effects. The study discovered a dispersionless Einstein oscillation with multiple harmonic overtones. A second layer of SF6 softened the mode, but did not show any indications of bulk or cooperative interactions. The vibrational properties of SF 6 showed both striking similarities and differences when compared with physisorbed rare gases. Lastly, this thesis will discuss studies of thin film poly(methyl methacrylate) on Si. The non-pertubative and surface specific nature of helium atom scattering allows for a deft study of the relationship between surface motion and the glass transition temperature. An added parameter in this complex organic system is the film thickness. The confinement effects and enhanced surface displacement were examined as a function of the thermal attenuation of both inelastic and elastic helium atom scattering. The Debye-Waller factor for these thin films of PMMA is similar to the low-density alkanethiol self-assembled monolayers discussed earlier.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111).

PubMed

Kroes, Geert-Jan; Pavanello, Michele; Blanco-Rey, María; Alducin, Maite; Auerbach, Daniel J

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of the incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction ("EF") model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated "post" ("p") the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.

Active probing of cloud multiple scattering, optical depth, vertical thickness, and liquid water content using wide-angle imaging lidar

NASA Astrophysics Data System (ADS)

Love, Steven P.; Davis, Anthony B.; Rohde, Charles A.; Tellier, Larry; Ho, Cheng

2002-09-01

At most optical wavelengths, laser light in a cloud lidar experiment is not absorbed but merely scattered out of the beam, eventually escaping the cloud via multiple scattering. There is much information available in this light scattered far from the input beam, information ignored by traditional 'on-beam' lidar. Monitoring these off-beam returns in a fully space- and time-resolved manner is the essence of our unique instrument, Wide Angle Imaging Lidar (WAIL). In effect, WAIL produces wide-field (60-degree full-angle) 'movies' of the scattering process and records the cloud's radiative Green functions. A direct data product of WAIL is the distribution of photon path lengths resulting from multiple scattering in the cloud. Following insights from diffusion theory, we can use the measured Green functions to infer the physical thickness and optical depth of the cloud layer, and, from there, estimate the volume-averaged liquid water content. WAIL is notable in that it is applicable to optically thick clouds, a regime in which traditional lidar is reduced to ceilometry. Here we present recent WAIL data on various clouds and discuss the extension of WAIL to full diurnal monitoring by means of an ultra-narrow magneto-optic atomic line filter for daytime measurements.

Hirshfeld atom refinement.

PubMed

Capelli, Silvia C; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

2014-09-01

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly-l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree-Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints - even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu's), all other structural parameters agree within less than 2 csu's. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å(2) as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements - an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å.

Hirshfeld atom refinement

PubMed Central

Capelli, Silvia C.; Bürgi, Hans-Beat; Dittrich, Birger; Grabowsky, Simon; Jayatilaka, Dylan

2014-01-01

Hirshfeld atom refinement (HAR) is a method which determines structural parameters from single-crystal X-ray diffraction data by using an aspherical atom partitioning of tailor-made ab initio quantum mechanical molecular electron densities without any further approximation. Here the original HAR method is extended by implementing an iterative procedure of successive cycles of electron density calculations, Hirshfeld atom scattering factor calculations and structural least-squares refinements, repeated until convergence. The importance of this iterative procedure is illustrated via the example of crystalline ammonia. The new HAR method is then applied to X-ray diffraction data of the dipeptide Gly–l-Ala measured at 12, 50, 100, 150, 220 and 295 K, using Hartree–Fock and BLYP density functional theory electron densities and three different basis sets. All positions and anisotropic displacement parameters (ADPs) are freely refined without constraints or restraints – even those for hydrogen atoms. The results are systematically compared with those from neutron diffraction experiments at the temperatures 12, 50, 150 and 295 K. Although non-hydrogen-atom ADPs differ by up to three combined standard uncertainties (csu’s), all other structural parameters agree within less than 2 csu’s. Using our best calculations (BLYP/cc-pVTZ, recommended for organic molecules), the accuracy of determining bond lengths involving hydrogen atoms from HAR is better than 0.009 Å for temperatures of 150 K or below; for hydrogen-atom ADPs it is better than 0.006 Å2 as judged from the mean absolute X-ray minus neutron differences. These results are among the best ever obtained. Remarkably, the precision of determining bond lengths and ADPs for the hydrogen atoms from the HAR procedure is comparable with that from the neutron measurements – an outcome which is obtained with a routinely achievable resolution of the X-ray data of 0.65 Å. PMID:25295177

Few-body resonances of unequal-mass systems with infinite interspecies two-body s-wave scattering length

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

Blume, D.; Daily, K. M.

Two-component Fermi and Bose gases with infinitely large interspecies s-wave scattering length a{sub s} exhibit a variety of intriguing properties. Among these are the scale invariance of two-component Fermi gases with equal masses, and the favorable scaling of Efimov features for two-component Bose gases and Bose-Fermi mixtures with unequal masses. This paper builds on our earlier work [Phys. Rev. Lett. 105, 170403 (2010)] and presents a detailed discussion of our studies of small unequal-mass two-component systems with infinite a{sub s} in the regime where three-body Efimov physics is absent. We report on nonuniversal few-body resonances. Just like with two-body systemsmore » on resonance, few-body systems have a zero-energy bound state in free space and a diverging generalized scattering length. Our calculations are performed within a nonperturbative microscopic framework and investigate the energetics and structural properties of small unequal-mass two-component systems as functions of the mass ratio {kappa}, and the numbers N{sub 1} and N{sub 2} of heavy and light atoms. For purely attractive Gaussian two-body interactions, we find that the (N{sub 1},N{sub 2})=(2,1) and (3,1) systems exhibit three-body and four-body resonances at mass ratios {kappa}=12.314(2) and 10.4(2), respectively. The three- and four-particle systems on resonance are found to be large. It seems feasible that the features discussed in this paper can be probed experimentally with present-day technology.« less

Protein dynamics as seen by (quasi) elastic neutron scattering.

PubMed

Magazù, S; Mezei, F; Falus, P; Farago, B; Mamontov, E; Russina, M; Migliardo, F

2017-01-01

Elastic and quasielastic neutron scattering studies proved to be efficient probes of the atomic mean square displacement (MSD), a fundamental parameter for the characterization of the motion of individual atoms in proteins and its evolution with temperature and compositional environment. We present a technical overview of the different types of experimental situations and the information quasi-elastic neutron scattering approaches can make available. In particular, MSD can crucially depend on the time scale over which the averaging (building of the "mean") takes place, being defined by the instrumental resolution. Due to their high neutron scattering cross section, hydrogen atoms can be particularly sensitively observed with little interference by the other atoms in the sample. A few examples, including new data, are presented for illustration. The incoherent character of neutron scattering on hydrogen atoms restricts the information obtained to the self-correlations in the motion of individual atoms, simplifying at the same time the data analysis. On the other hand, the (often overlooked) exploration of the averaging time dependent character of MSD is crucial for unambiguous interpretation and can provide a wealth of information on micro- and nanoscale atomic motion in proteins. By properly exploiting the broad range capabilities of (quasi)elastic neutron scattering techniques to deliver time dependent characterization of atomic displacements, they offer a sensitive, direct and simple to interpret approach to exploration of the functional activity of hydrogen atoms in proteins. Partial deuteration can add most valuable selectivity by groups of hydrogen atoms. "This article is part of a Special Issue entitled "Science for Life" Guest Editor: Dr. Austen Angell, Dr. Salvatore Magazù and Dr. Federica Migliardo". Copyright © 2016 Elsevier B.V. All rights reserved.

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

Trubilko, A. I., E-mail: trubilko.andrey@gmail.com

Coherent scattering of a two-level atom in the field of a quantized standing wave of a micromaser is considered under conditions of initial quantum correlation between the atom and the field. Such a correlation can be produced by a broadband parametric source. The interaction leading to scattering of the atom from the nonuniform field occurs in the dispersion limit or in the wing of the absorption line of the atom. Apart from the quantized field, the atom simultaneously interacts with two classical counterpropagating waves with different frequencies, which are acting in the plane perpendicular to the atom’s propagation velocity andmore » to the wavevector of the standing wave. Joint action of the quantized field and two classical waves induces effective two-photon and Raman resonance interaction on the working transition. The effective Hamiltonian of the interaction is derived using the unitary transformation method developed for a moving atom. A strong effect is detected, which makes it possible to distinguish the correlated initial state of the atom and the field in the scattering of atom from the state of independent systems. For all three waves, scattering is not observed when systems with quantum correlation are prepared using a high-intensity parametric source. Conversely, when the atom interacts only with the nonuniform field of the standing wave, scattering is not observed in the case of the initial factorized state.« less

Interfaces in Si/Ge atomic layer superlattices on (001)Si: Effect of growth temperature and wafer misorientation

NASA Astrophysics Data System (ADS)

Baribeau, J.-M.; Lockwood, D. J.; Syme, R. W. G.

1996-08-01

We have used x-ray diffraction, specular reflectivity, and diffuse scattering, complemented by Raman spectroscopy, to study the interfaces in a series of (0.5 nm Ge/2 nm Si)50 atomic layer superlattices on (001)Si grown by molecular beam epitaxy in the temperature range 150-650 °C. X-ray specular reflectivity revealed that the structures have a well-defined periodicity with interface widths of about 0.2-0.3 nm in the 300-590 °C temperature range. Offset reflectivity scans showed that the diffuse scattering peaks at values of perpendicular wave vector transfer corresponding to the superlattice satellite peaks, indicating that the interfaces are vertically correlated. Transverse rocking scans of satellite peaks showed a diffuse component corresponding to an interface corrugation of typical length scale of ˜0.5 μm. The wavelength of the undulations is a minimum along the miscut direction and is typically 30-40 times larger than the surface average terrace width assuming monolayer steps, independently of the magnitude of the wafer misorientation. The amplitude of the undulation evolves with growth temperature and is minimum for growth at ˜460 °C and peaks at ˜520 °C. Raman scattering showed the chemical abruptness of the interfaces at low growth temperatures and indicated a change in the growth mode near 450 °C.

Scissors Mode of Dipolar Quantum Droplets of Dysprosium Atoms

NASA Astrophysics Data System (ADS)

Ferrier-Barbut, Igor; Wenzel, Matthias; Böttcher, Fabian; Langen, Tim; Isoard, Mathieu; Stringari, Sandro; Pfau, Tilman

2018-04-01

We report on the observation of the scissors mode of a single dipolar quantum droplet. The existence of this mode is due to the breaking of the rotational symmetry by the dipole-dipole interaction, which is fixed along an external homogeneous magnetic field. By modulating the orientation of this magnetic field, we introduce a new spectroscopic technique for studying dipolar quantum droplets. This provides a precise probe for interactions in the system, allowing us to extract a background scattering length for 164Dy of 69 (4 )a0 . Our results establish an analogy between quantum droplets and atomic nuclei, where the existence of the scissors mode is also only due to internal interactions. They further open the possibility to explore physics beyond the available theoretical models for strongly dipolar quantum gases.

Plane wave packet formulation of atom-plus-diatom quantum reactive scattering.

PubMed

Althorpe, Stuart C

2004-07-15

We recently interpreted several reactive scattering experiments using a plane wave packet (PWP) formulation of quantum scattering theory [see, e.g., S. C. Althorpe, F. Fernandez-Alonso, B. D. Bean, J. D. Ayers, A. E. Pomerantz, R. N. Zare, and E. Wrede, Nature (London) 416, 67 (2002)]. This paper presents the first derivation of this formulation for atom-plus-diatom reactive scattering, and explains its relation to conventional time-independent reactive scattering. We generalize recent results for spherical-particle scattering [S. C. Althorpe, Phys. Rev. A 69, 042702 (2004)] to atom-rigid-rotor scattering in the space-fixed frame, atom-rigid-rotor scattering in the body-fixed frame, and finally A+BC rearrangement scattering. The reactive scattering is initiated by a plane wave packet, describing the A+BC reagents in center-of-mass scattering coordinates, and is detected by projecting onto a series of AC+B (or AB+C) plane wave "probe" packets. The plane wave packets are localized at the closest distance from the scattering center at which the interaction potential can be neglected. The time evolution of the initial plane wave packet provides a clear visualization of the scattering into space of the reaction products. The projection onto the probe packets yields the time-independent, state-to-state scattering amplitude, and hence the differential cross section. We explain how best to implement the PWP approach in a numerical computation, and illustrate this with a detailed application to the H+D2 reaction. (c) 2004 American Institute of Physics

From Flexible and Stretchable Meta-Atom to Metamaterial: A Wearable Microwave Meta-Skin with Tunable Frequency Selective and Cloaking Effects

PubMed Central

Yang, Siming; Liu, Peng; Yang, Mingda; Wang, Qiugu; Song, Jiming; Dong, Liang

2016-01-01

This paper reports a flexible and stretchable metamaterial-based “skin” or meta-skin with tunable frequency selective and cloaking effects in microwave frequency regime. The meta-skin is composed of an array of liquid metallic split ring resonators (SRRs) embedded in a stretchable elastomer. When stretched, the meta-skin performs as a tunable frequency selective surface with a wide resonance frequency tuning range. When wrapped around a curved dielectric material, the meta-skin functions as a flexible “cloaking” surface to significantly suppress scattering from the surface of the dielectric material along different directions. We studied frequency responses of multilayer meta-skins to stretching in a planar direction and to changing the spacing between neighboring layers in vertical direction. We also investigated scattering suppression effect of the meta-skin coated on a finite-length dielectric rod in free space. This meta-skin technology will benefit many electromagnetic applications, such as frequency tuning, shielding, and scattering suppression. PMID:26902969

Direct Measurement of Lateral Correlations under Controlled Nanoconfinement

NASA Astrophysics Data System (ADS)

Kékicheff, P.; Iss, J.; Fontaine, P.; Johner, A.

2018-03-01

Lateral correlations along hydrophobic surfaces whose separation can be varied continuously are measured by x-ray scattering using a modified surface force apparatus coupled with synchrotron radiation, named SFAX. A weak isotropic diffuse scattering along the equatorial plane is revealed for mica surfaces rendered hydrophobic and charge neutral by immersion in cationic surfactant solutions at low concentrations. The peak corresponds to a lateral surface correlation length ξ ≈12 nm , without long-range order. These findings are compatible with the atomic force microscopy imaging of a single surface, where adsorbed surfactant stripes appear surrounded by bare mica zones. Remarkably, the scattering patterns remain stable for gap widths D larger than the lateral period but change in intensity and shape (to a lesser extent) as soon as D <ξ . This evolution codes for a redistribution of counterions (counterion release from antagonistic patches) and the associated new x-ray labeling of the patterns. The redistribution of counterions is also the key mechanism to the long-range electrostatic attraction between similar, overall charge-neutral walls, reported earlier.

Investigating Polymer–Metal Interfaces by Grazing Incidence Small-Angle X-Ray Scattering from Gradients to Real-Time Studies

PubMed Central

Schwartzkopf, Matthias; Roth, Stephan V.

2016-01-01

Tailoring the polymer–metal interface is crucial for advanced material design. Vacuum deposition methods for metal layer coating are widely used in industry and research. They allow for installing a variety of nanostructures, often making use of the selective interaction of the metal atoms with the underlying polymer thin film. The polymer thin film may eventually be nanostructured, too, in order to create a hierarchy in length scales. Grazing incidence X-ray scattering is an advanced method to characterize and investigate polymer–metal interfaces. Being non-destructive and yielding statistically relevant results, it allows for deducing the detailed polymer–metal interaction. We review the use of grazing incidence X-ray scattering to elucidate the polymer–metal interface, making use of the modern synchrotron radiation facilities, allowing for very local studies via in situ (so-called “stop-sputter”) experiments as well as studies observing the nanostructured metal nanoparticle layer growth in real time. PMID:28335367

Classical theory of atom-surface scattering: The rainbow effect

NASA Astrophysics Data System (ADS)

Miret-Artés, Salvador; Pollak, Eli

2012-07-01

The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the “washboard model” in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom-surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom-surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle-surface interactions.

Classical theory of atom-surface scattering: The rainbow effect

NASA Astrophysics Data System (ADS)

Miret-Artés, Salvador; Pollak, Eli

The scattering of heavy atoms and molecules from surfaces is oftentimes dominated by classical mechanics. A large body of experiments have gathered data on the angular distributions of the scattered species, their energy loss distribution, sticking probability, dependence on surface temperature and more. For many years these phenomena have been considered theoretically in the framework of the "washboard model" in which the interaction of the incident particle with the surface is described in terms of hard wall potentials. Although this class of models has helped in elucidating some of the features it left open many questions such as: true potentials are clearly not hard wall potentials, it does not provide a realistic framework for phonon scattering, and it cannot explain the incident angle and incident energy dependence of rainbow scattering, nor can it provide a consistent theory for sticking. In recent years we have been developing a classical perturbation theory approach which has provided new insight into the dynamics of atom-surface scattering. The theory includes both surface corrugation as well as interaction with surface phonons in terms of harmonic baths which are linearly coupled to the system coordinates. This model has been successful in elucidating many new features of rainbow scattering in terms of frictions and bath fluctuations or noise. It has also given new insight into the origins of asymmetry in atomic scattering from surfaces. New phenomena deduced from the theory include friction induced rainbows, energy loss rainbows, a theory of super-rainbows, and more. In this review we present the classical theory of atom-surface scattering as well as extensions and implications for semiclassical scattering and the further development of a quantum theory of surface scattering. Special emphasis is given to the inversion of scattering data into information on the particle-surface interactions.

A X-Ray Absorption Study of Transition Metal Oxides

NASA Astrophysics Data System (ADS)

Bunker, Grant Byrd

This work is an experimental and theoretical study of the x-ray absorption near-edge structure of selected 3d transition metal compounds. The goal is to understand the physical mechanisms of XANES, using the competing multiple scattering (MS) and single scattering formalisms of Durham et al, and of Muller and Schaich, respectively. Careful experimental measurements of the K edge absorption of Mn oxides and KMnO(,4) at 300(DEGREES)K, 140(DEGREES)K and 80(DEGREES)K were made. These materials were chosen because they exhibit a variety of structures and oxidation states. Computer simulations of the XANES using the formalisms above were also performed. The experimental results show that atoms beyond the first coordination shell significantly affect the XANES near and above the edge; in particular the temperature dependent XANES and the "white line" in MnO establish this. We conclude that XANES, like EXAFS, is primarily sensitive to geometrical structure, except within about 1 Rydberg of the Fermi level. Two types of MS are distinguished: type 1 (forward scattering) is important in both XANES and EXAFS regions; type 2 (large angle scattering) is important only at and below the edge. MS of the photoelectron among the first shell Oxygen atoms in KMnO(,4) is observed experimentally, and found to become negligible above (DBLTURN) 1 Rydberg past the edge. The sharp features in XANES are primarily due to scattering from distant atoms, rather than localized states, except below the edge. This is supported by the observation that (alpha)-Mn(,2)O(,3) and Mn(,3)O(,4) spectra are nearly identical; their structures are the same, but the average oxidation states are different. We find the bond length strongly affects the edge position and the intensity of the 3d absorption in tetrahedrally coordinated transition metals. Other new results are the first shell EXAFS amplitude in MnO shows an anomalous energy dependence, which apparently cannot be explained by current theory. A new deconvolution algorithm is proposed to minimize truncation effects in Fourier filtering.

Coupling between absorption and scattering in disordered colloids

NASA Astrophysics Data System (ADS)

Stephenson, Anna; Hwang, Victoria; Park, Jin-Gyu; Manoharan, Vinothan N.

We aim to understand how scattering and absorption are coupled in disordered colloidal suspensions containing absorbing molecules (dyes). When the absorption length is shorter than the transport length, absorption dominates, and absorption and scattering can be seen as two additive effects. However, when the transport length is shorter than the absorption length, the scattering and absorption become coupled, as multiple scattering increases the path length of the light in the sample, leading to a higher probability of absorption. To quantify this synergistic effect, we measure the diffuse reflectance spectra of colloidal samples of varying dye concentrations, thicknesses, and particle concentrations, and we calculate the transport length and absorption length from our measurements, using a radiative transfer model. At particle concentrations so high that the particles form disordered packings, we find a minimum in the transport length. We show that selecting a dye where the absorption peak matches the location of the minimum in the transport length allows for enhanced absorption. Kraft-Heinz Corporation, NSF GRFP 2015200426.

Angle Statistics Reconstruction: a robust reconstruction algorithm for Muon Scattering Tomography

NASA Astrophysics Data System (ADS)

Stapleton, M.; Burns, J.; Quillin, S.; Steer, C.

2014-11-01

Muon Scattering Tomography (MST) is a technique for using the scattering of cosmic ray muons to probe the contents of enclosed volumes. As a muon passes through material it undergoes multiple Coulomb scattering, where the amount of scattering is dependent on the density and atomic number of the material as well as the path length. Hence, MST has been proposed as a means of imaging dense materials, for instance to detect special nuclear material in cargo containers. Algorithms are required to generate an accurate reconstruction of the material density inside the volume from the muon scattering information and some have already been proposed, most notably the Point of Closest Approach (PoCA) and Maximum Likelihood/Expectation Maximisation (MLEM) algorithms. However, whilst PoCA-based algorithms are easy to implement, they perform rather poorly in practice. Conversely, MLEM is a complicated algorithm to implement and computationally intensive and there is currently no published, fast and easily-implementable algorithm that performs well in practice. In this paper, we first provide a detailed analysis of the source of inaccuracy in PoCA-based algorithms. We then motivate an alternative method, based on ideas first laid out by Morris et al, presenting and fully specifying an algorithm that performs well against simulations of realistic scenarios. We argue this new algorithm should be adopted by developers of Muon Scattering Tomography as an alternative to PoCA.

Abstract ID: 176 Geant4 implementation of inter-atomic interference effect in small-angle coherent X-ray scattering for materials of medical interest.

PubMed

Paternò, Gianfranco; Cardarelli, Paolo; Contillo, Adriano; Gambaccini, Mauro; Taibi, Angelo

2018-01-01

Advanced applications of digital mammography such as dual-energy and tomosynthesis require multiple exposures and thus deliver higher dose compared to standard mammograms. A straightforward manner to reduce patient dose without affecting image quality would be removal of the anti-scatter grid, provided that the involved reconstruction algorithms are able to take the scatter figure into account [1]. Monte Carlo simulations are very well suited for the calculation of X-ray scatter distribution and can be used to integrate such information within the reconstruction software. Geant4 is an open source C++ particle tracking code widely used in several physical fields, including medical physics [2,3]. However, the coherent scattering cross section used by the standard Geant4 code does not take into account the influence of molecular interference. According to the independent atomic scattering approximation (the so-called free-atom model), coherent radiation is indistinguishable from primary radiation because its angular distribution is peaked in the forward direction. Since interference effects occur between x-rays scattered by neighbouring atoms in matter, it was shown experimentally that the scatter distribution is affected by the molecular structure of the target, even in amorphous materials. The most important consequence is that the coherent scatter distribution is not peaked in the forward direction, and the position of the maximum is strongly material-dependent [4]. In this contribution, we present the implementation of a method to take into account inter-atomic interference in small-angle coherent scattering in Geant4, including a dedicated data set of suitable molecular form factor values for several materials of clinical interest. Furthermore, we present scatter images of simple geometric phantoms in which the Rayleigh contribution is rigorously evaluated. Copyright © 2017.

The role of plasma density scale length on the laser pulse propagation and scattering in relativistic regime

NASA Astrophysics Data System (ADS)

Pishdast, Masoud; Ghasemi, Seyed Abolfazl; Yazdanpanah, Jamal Aldin

2017-10-01

The role of plasma density scale length on two short and long laser pulse propagation and scattering in under dense plasma have been investigated in relativistic regime using 1 D PIC simulation. In our simulation, different density scale lengths and also two short and long pulse lengths with temporal pulse duration τL = 60 fs and τL = 300 fs , respectively have been used. It is found that laser pulse length and density scale length have considerable effects on the energetic electron generation. The analysis of total radiation spectrum reveals that, for short laser pulses and with reducing density scale length, more unstable electromagnetic modes grow and strong longitudinal electric field generates which leads to the generation of more energetic plasma particles. Meanwhile, the dominant scattering mechanism is Raman scattering and tends to Thomson scattering for longer laser pulse.

Ab initio molecular dynamics calculations on scattering of hyperthermal H atoms from Cu(111) and Au(111)

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

Kroes, Geert-Jan, E-mail: g.j.kroes@chem.leidenuniv.nl; Pavanello, Michele; Blanco-Rey, María

2014-08-07

Energy loss from the translational motion of an atom or molecule impinging on a metal surface to the surface may determine whether the incident particle can trap on the surface, and whether it has enough energy left to react with another molecule present at the surface. Although this is relevant to heterogeneous catalysis, the relative extent to which energy loss of hot atoms takes place to phonons or electron-hole pair (ehp) excitation, and its dependence on the system's parameters, remain largely unknown. We address these questions for two systems that present an extreme case of the mass ratio of themore » incident atom to the surface atom, i.e., H + Cu(111) and H + Au(111), by presenting adiabatic ab initio molecular dynamics (AIMD) predictions of the energy loss and angular distributions for an incidence energy of 5 eV. The results are compared to the results of AIMDEFp calculations modeling energy loss to ehp excitation using an electronic friction (“EF”) model applied to the AIMD trajectories, so that the energy loss to the electrons is calculated “post” (“p”) the computation of the AIMD trajectory. The AIMD calculations predict average energy losses of 0.38 eV for Cu(111) and 0.13-0.14 eV for Au(111) for H-atoms that scatter from these surfaces without penetrating the surface. These energies closely correspond with energy losses predicted with Baule models, which is suggestive of structure scattering. The predicted adiabatic integral energy loss spectra (integrated over all final scattering angles) all display a lowest energy peak at an energy corresponding to approximately 80% of the average adiabatic energy loss for non-penetrative scattering. In the adiabatic limit, this suggests a way of determining the approximate average energy loss of non-penetratively scattered H-atoms from the integral energy loss spectrum of all scattered H-atoms. The AIMDEFp calculations predict that in each case the lowest energy loss peak should show additional energy loss in the range 0.2-0.3 eV due to ehp excitation, which should be possible to observe. The average non-adiabatic energy losses for non-penetrative scattering exceed the adiabatic losses to phonons by 0.9-1.0 eV. This suggests that for scattering of hyperthermal H-atoms from coinage metals the dominant energy dissipation channel should be to ehp excitation. These predictions can be tested by experiments that combine techniques for generating H-atom beams that are well resolved in translational energy and for detecting the scattered atoms with high energy-resolution.« less

Thomson scattering in the average-atom approximation.

PubMed

Johnson, W R; Nilsen, J; Cheng, K T

2012-09-01

The average-atom model is applied to study Thomson scattering of x-rays from warm dense matter with emphasis on scattering by bound electrons. Parameters needed to evaluate the dynamic structure function (chemical potential, average ionic charge, free electron density, bound and continuum wave functions, and occupation numbers) are obtained from the average-atom model. The resulting analysis provides a relatively simple diagnostic for use in connection with x-ray scattering measurements. Applications are given to dense hydrogen, beryllium, aluminum, and titanium plasmas. In the case of titanium, bound states are predicted to modify the spectrum significantly.

Quantum defect theory for the orbital Feshbach resonance

NASA Astrophysics Data System (ADS)

Cheng, Yanting; Zhang, Ren; Zhang, Peng

2017-01-01

In the ultracold gases of alkali-earth-metal-like atoms, a new type of Feshbach resonance, i.e., the orbital Feshbach resonance (OFR), has been proposed and experimentally observed in ultracold 173Yb atoms [R. Zhang et al., Phys. Rev. Lett. 115, 135301 (2015), 10.1103/PhysRevLett.115.135301]. When the OFR of the 173Yb atoms occurs, the energy gap between the open and closed channels is smaller by two orders of magnitude than the van der Waals energy. As a result, quantitative accurate results for the low-energy two-body problems can be obtained via multichannel quantum defect theory (MQDT), which is based on the exact solution of the Schrödinger equation with the van der Waals potential. In this paper we use MQDT to calculate the two-atom scattering length, effective range, and binding energy of two-body bound states for the systems with OFR. With these results we further study the clock-transition spectrum for the two-body bound states, which can be used to experimentally measure the binding energy. Our results are helpful for the quantitative theoretical and experimental research for the ultracold gases of alkali-earth-metal-like atoms with OFR.

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.

Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy.

PubMed

Martinez, G T; van den Bos, K H W; Alania, M; Nellist, P D; Van Aert, S

2018-04-01

In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. Copyright © 2018 Elsevier B.V. All rights reserved.

Computational Study of Nonadiabatic Effects in Atom-Molecule Reactive Scattering.

DTIC Science & Technology

1982-11-15

a similar interpretation to those in Fig. 4-a, with the rotational effects most evident in the reactant tube (due to the mixing of the two open rotor ...AD-A125 135 COMPUTATIONAL STUDY OF NONRDIABATIC EFFECTS IN 1/2 ATOM-MOLECULE REACTIVE SCATTERING(U) CHEMICAL DYNAMICS CORP COLUMBUS OH B C GARRETT...COMPUTATIONAL STUDY OF NONADIABATIC EFFECTS [ Z IN ATOM-MOLECULE REACTIVE SCATTERING C:) TO AIR FORCE OFFICE OF SCIENTIFIC RESEARCHk CONTRACT NO. F49620-81

Local atomic and magnetic structure of dilute magnetic semiconductor ( Ba , K ) ( Zn , Mn ) 2 As 2

DOE PAGES

Frandsen, Benjamin A.; Gong, Zizhou; Terban, Maxwell W.; ...

2016-09-06

We studied the atomic and magnetic structure of the dilute ferromagnetic semiconductor system (Ba,K)(Zn,Mn) 2As 2 through atomic and magnetic pair distribution function analysis of temperature-dependent x-ray and neutron total scattering data. Furthermore, we detected a change in curvature of the temperature-dependent unit cell volume of the average tetragonal crystallographic structure at a temperature coinciding with the onset of ferromagnetic order. We also observed the existence of a well-defined local orthorhombic structure on a short length scale of ≲5Å, resulting in a rather asymmetrical local environment of the Mn and As ions. Finally, the magnetic PDF revealed ferromagnetic alignment ofmore » Mn spins along the crystallographic c axis, with robust nearest-neighbor ferromagnetic correlations that exist even above the ferromagnetic ordering temperature. Finally, we discuss these results in the context of other experiments and theoretical studies on this system.« less

Interfacial structure of two-dimensional epitaxial Er silicide on Si(111)

NASA Astrophysics Data System (ADS)

Tuilier, M. H.; Wetzel, P.; Pirri, C.; Bolmont, D.; Gewinner, G.

1994-07-01

Auger-electron diffraction (AED) and surface-extended x-ray-absorption fine structure (SEXAFS) have been used to obtain a complete description of the atomic structure of a two-dimensional epitaxial Er silicide layer on Si(111). AED reveals that a monolayer of Er is located underneath a buckled Si double layer. The relevant Er-Si interlayer spacings are determined by means of single scattering cluster simulations and a R-factor analysis to be 1.92+/-0.05 Å to the first and 2.70+/-0.05 Å to the second Si top layer. Er near-neighbor bond lengths and coordination numbers are obtained independently from polarization-dependent SEXAFS. The SEXAFS data, when combined with the Si top-layer geometry inferred from AED, permit the determination of the atomic positions at the silicide/Si(111) interface. The Er is found to reside in relaxed T4 sites of Si(111) with a single Er-Si distance of 3.09+/-0.04 Å to the first- and second-layer Si atoms of the substrate.

Electron Transport in SrTio3 Accumulation Layers and Semiconductor Nanocrystal Films

NASA Astrophysics Data System (ADS)

Fu, Han

In this thesis, we study two subjects: SrTiO3 (STO) accumulation layers and films made of semiconductor nanocrystals (NCs), which are important for technological applications. We start from the low temperature conductivity of electron accumulation layers induced by the very strong electric field at the surface of STO sample. Due to the strongly nonlinear lattice dielectric response, the three-dimensional density of electrons n(z) in such a layer decays with the distance from the surface z very slowly as n(z) ≃ 1/z12/7 . We show that when the mobility is limited by the surface scattering the contribution of such a tail to the conductivity diverges at large z because of growing time electrons need to reach the surface. We explore truncation of this divergence by the finite sample width, by the bulk scattering rate, by the back gate voltage, or by the crossover to the bulk linear dielectric response with the dielectric constant kappa. As a result we arrive at the anomalously large mobility, which depends not only on the rate of the surface scattering, but also on the physics of truncation. Similar anomalous behavior is found for the Hall factor, the magnetoresistance, and the thermopower. For the second part, we extend to the cases of spherical and cylindrical geometries, and more complicated planar structures. For the planar case, we study overlapping accumulation layers in GdTiO3/STO/GdTiO 3 quantum wells and electron gases created by spill-out from NSTO (heavily n-type doped STO) layers into STO. Generalization of our approach to a spherical donor cluster creating a big Thomas-Fermi atom with electrons in STO brings us to the problem of supercharged nuclei. It is known that for an atom with nuclear charge Ze, where Z > 170, electrons collapse onto the nucleus resulting in a net charge Zn < Z. Here, instead of relativistic physics, the collapse is caused by the nonlinear dielectric response. Electrons collapse into the charged spherical donor cluster with radius R when its total charge number Z exceeds the critical value Zc ≃ R/a, where a is the lattice constant. The net charge eZ n grows with Z until Z exceeds Z*≃ (R/a)9/7. After this point, the charge number of the compact core Zn remains ≃ Z*, with the rest Z electrons forming a sparse Thomas-Fermi atom with it. We also study the case of long cylindrical clusters. In the third part, we look at the details of the surface scattering by roughness of accumulation layers. To connect with previous works on surface roughness scattering, we focus on conventional semiconductors with the linear dielectric response where accumulation layers with very large concentrations of electrons and many subbands filled became recently available due to ionic liquid and other new methods of gating. The low temperature mobility in such layers is limited by the surface roughness scattering. However theories of roughness scattering so far dealt only with the small-density single subband two-dimensional (2D) electron gas. Here we develop a theory of roughness scattering limited mobility for the multisubband large concentration case. We show that with growing 2D electron concentration N the surface dimensionless conductivity sigma/(2e2/h) first decreases as ≃ N-6/5 and then saturates as ˜ (LambdaaB/Delta 2) >> 1, where Lambda and Delta are the characteristic length and height of the surface roughness, aB is the effective Bohr radius. This means that in spite of the shrinkage of the 2D electron gas width and the related increase of the scattering rate, the 2D electron gas remains a good metal. Thus, there is no re-entrant metal-insulator transition at high concentrations conjectured by Das Sarma and Hwang [PRB 89, 121413 (2014)]. The expression of surface relaxation time can be generalized to the STO case where the dielectric response is nonlinear. We find that there is no reentrant metal-insulator transition, either, in STO accumulation layers at experimentally available large N.. Finally, we switch to the study of NC films. We focus on the variable-range hopping of electrons in semiconductor NC films below the critical doping concentration nc at which films become metallic. The hopping conductivity is then described by the Efros-Shklovskii law which depends on the localization length of electrons. We study how the localization length grows with the doping concentration n in the film of touching NCs. For that we calculate the electron transfer matrix element t(n) between neighboring NCs for two models when NCs touch by small facets or just one point. We study two sources of disorder: variations of NC diameters and random Coulomb potentials originating from random numbers of donors in NCs. We use the ratio of t(n) to the disorder-induced NC level dispersion to find the localization length of electrons due to the multi-step elastic co-tunneling process. We find three different phases at n < nc depending on the strength of disorder, the material, sizes of NCs and their facets: 1) "insulator" where the localization length of electrons increases monotonically with n and 2) "oscillating insulator" when the localization length (and the conductivity) oscillates with n from the insulator base and 3) "blinking metal" where the localization length periodically diverges. The first two phases were seen experimentally and we discuss how one can see the more exotic third one. In all three the localization length diverges at n = nc. This allows us to find nc..

Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms

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

Kharchenko, V.F., E-mail: vkharchenko@bitp.kiev.ua

2015-04-15

The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determinemore » the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities.« less

Introduction to the Contributions of A. Temkin and R. J. Drachman to Atomic Physics

NASA Technical Reports Server (NTRS)

Bhatia, A.K.

2007-01-01

Their work, as is the work of most atomic theorists, is concerned with solving the Schroedinger equation accurately for wave function in cases where there is no exact analytical solution. In particular, Temkin is associated with electron scattering from atoms and ions. When he started there already were a number of methods to study the scattering of electrons from atoms.

Collisional redistribution of radiation. II - The effects of degeneracy on the equations of motion for the density matrix. III - The equation of motion for the correlation function and the scattered spectrum

NASA Technical Reports Server (NTRS)

Burnett, K.; Cooper, J.

1980-01-01

The effect of correlations between an absorber atom and perturbers in the binary-collision approximation are applied to degenerate atomic systems. A generalized absorption profile which specifies the final state of the atom after an absorption event is related to the total intensities of Rayleigh scattering and fluorescence from the atom. It is suggested that additional dynamical information to that obtainable from ordinary absorption experiments is required in order to describe redistributed atomic radiation. The scattering of monochromatic radiation by a degenerate atom is computed in a binary-collision approximation; an equation of motion is derived for the correlation function which is valid outside the quantum-regression regime. Solutions are given for the weak-field conditions in terms of generalized absorption and emission profiles that depend on the indices of the atomic multipoles.

Semiempirical potentials for positron scattering by atoms

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

Assafrao, Denise; Walters, H. R. J.; Arretche, Felipe

2011-08-15

We report calculations of differential and integral cross sections for positron scattering by noble gas and alkaline-earth atoms within the same methodology. The scattering potentials are constructed by scaling adiabatic potentials so that their minima coincide with the covalent radii of the target atoms. Elastic differential and integral cross sections are calculated for Ne, Ar, Be, and Mg, and the results are very close to experimental and best theoretical data. Particularly, elastic differential cross sections for Be and Mg at low energies are reported.

Fermions in Two Dimensions: Scattering and Many-Body Properties

DOE PAGES

Galea, Alexander; Zielinski, Tash; Gandolfi, Stefano; ...

2017-08-10

Ultracold atomic Fermi gases in two dimensions (2D) are an increasingly popular topic of research. The interaction strength between spin-up and spin-down particles in two-component Fermi gases can be tuned in experiments, allowing for a strongly interacting regime where the gas properties are yet to be fully understood. We have probed this regime for 2D Fermi gases by performing T = 0 ab initio diffusion Monte Carlo calculations. The many-body dynamics are largely dependent on the two-body interactions; therefore, we start with an in-depth look at scattering theory in 2D. We show the partial-wave expansion and its relation to themore » scattering length and effective range. Then, we discuss our numerical methods for determining these scattering parameters. Here, we close out this discussion by illustrating the details of bound states in 2D. Transitioning to the many-body system, we also use variationally optimized wave functions to calculate ground-state properties of the gas over a range of interaction strengths. We show results for the energy per particle and parametrize an equation of state. We then proceed to determine the chemical potential for the strongly interacting gas.« less

Fermions in Two Dimensions: Scattering and Many-Body Properties

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

Galea, Alexander; Zielinski, Tash; Gandolfi, Stefano

Ultracold atomic Fermi gases in two dimensions (2D) are an increasingly popular topic of research. The interaction strength between spin-up and spin-down particles in two-component Fermi gases can be tuned in experiments, allowing for a strongly interacting regime where the gas properties are yet to be fully understood. We have probed this regime for 2D Fermi gases by performing T = 0 ab initio diffusion Monte Carlo calculations. The many-body dynamics are largely dependent on the two-body interactions; therefore, we start with an in-depth look at scattering theory in 2D. We show the partial-wave expansion and its relation to themore » scattering length and effective range. Then, we discuss our numerical methods for determining these scattering parameters. Here, we close out this discussion by illustrating the details of bound states in 2D. Transitioning to the many-body system, we also use variationally optimized wave functions to calculate ground-state properties of the gas over a range of interaction strengths. We show results for the energy per particle and parametrize an equation of state. We then proceed to determine the chemical potential for the strongly interacting gas.« less

Intricate Plasma-Scattered Images and Spectra of Focused Femtosecond Laser Pulses

PubMed Central

Ooi, C. H. Raymond; Talib, Md. Ridzuan

2016-01-01

We report on some interesting phenomena in the focusing and scattering of femtosecond laser pulses in free space that provide insights on intense laser plasma interactions. The scattered image in the far field is analyzed and the connection with the observed structure of the plasma at the focus is discussed. We explain the physical mechanisms behind the changes in the colorful and intricate image formed by scattering from the plasma for different compressions, as well as orientations of plano-convex lens. The laser power does not show significant effect on the images. The pulse repetition rate above 500 Hz can affect the image through slow dynamics The spectrum of each color in the image shows oscillatory peaks due to interference of delayed pulse that correlate with the plasma length. Spectral lines of atomic species are identified and new peaks are observed through the white light emitted by the plasma spot. We find that an Ar gas jet can brighten the white light of the plasma spot and produce high resolution spectral peaks. The intricate image is found to be extremely sensitive and this is useful for applications in sensing microscale objects. PMID:27571644

Potential scattering on a spherical surface

NASA Astrophysics Data System (ADS)

Zhang, Jian; Ho, Tin-Lun

2018-06-01

The advances in cold atom experiments have allowed construction of confining traps in the form of curved surfaces. This opens up the possibility of studying quantum gases in curved manifolds. On closed surfaces, many fundamental processes are affected by the local and global properties, i.e. the curvature and the topology of the surface. In this paper, we study the problem of potential scattering on a spherical surface and discuss its difference with that on a 2D plane. For bound states with angular momentum m, their energies (E m ) on a sphere are related to those on a 2D plane (-| {E}m,o| ) as {E}m=-| {E}m,o| +{E}R≤ft[\\tfrac{{m}2-1}{3}+O≤ft(\\tfrac{{r}o2}{{R}2}\\right)\\right], where {E}R={{{\\hslash }}}2/(2{{MR}}2), and R is the radius of the sphere. Due to the finite extent of the manifold, the phase shifts on a sphere at energies E∼ {E}R differ significantly from those on a 2D plane. As energy E approaches zero, the phase shift in the planar case approaches 0, whereas in the spherical case it reaches a constant that connects the microscopic length scale to the largest length scale R.

Ballistic Imaging and Scattering Measurements for Diesel Spray Combustion: Optical Development and Phenomenological Studies

DTIC Science & Technology

2016-04-01

polystyrene spheres in a water suspension. The impact of spatial filtering , temporal filtering , and scattering path length on image resolution are...The impact of spatial filtering , temporal filtering , and scattering path length on image resolution are reported. The technique is demonstrated...cell filled with polystyrene spheres in a water suspension. The impact of spatial filtering , temporal filtering , and scattering path length on image

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2.

PubMed

Fugel, Malte; Jayatilaka, Dylan; Hupf, Emanuel; Overgaard, Jacob; Hathwar, Venkatesha R; Macchi, Piero; Turner, Michael J; Howard, Judith A K; Dolomanov, Oleg V; Puschmann, Horst; Iversen, Bo B; Bürgi, Hans-Beat; Grabowsky, Simon

2018-01-01

Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes many of the known limitations of independent atom modelling (IAM), such as too short element-hydrogen distances, r ( X -H), or too large atomic displacement parameters (ADPs). This study probes the accuracy and precision of anisotropic hydrogen and non-hydrogen ADPs and of r ( X -H) values obtained from HAR. These quantities are compared and found to agree with those obtained from (i) accurate neutron diffraction data measured at the same temperatures as the X-ray data and (ii) multipole modelling (MM), an established alternative method for interpreting X-ray diffraction data with the help of aspherical atomic scattering factors. Results are presented for three chemically different systems: the aromatic hydro-carbon rubrene (orthorhombic 5,6,11,12-tetra-phenyl-tetracene), a co-crystal of zwitterionic betaine, imidazolium cations and picrate anions (BIPa), and the salt potassium hydrogen oxalate (KHOx). The non-hydrogen HAR-ADPs are as accurate and precise as the MM-ADPs. Both show excellent agreement with the neutron-based values and are superior to IAM-ADPs. The anisotropic hydrogen HAR-ADPs show a somewhat larger deviation from neutron-based values than the hydrogen SHADE-ADPs used in MM. Element-hydrogen bond lengths from HAR are in excellent agreement with those obtained from neutron diffraction experiments, although they are somewhat less precise. The residual density contour maps after HAR show fewer features than those after MM. Calculating the static electron density with the def2-TZVP basis set instead of the simpler def2-SVP one does not improve the refinement results significantly. All HARs were performed within the recently introduced HARt option implemented in the Olex2 program. They are easily launched inside its graphical user interface following a conventional IAM.

Probing the accuracy and precision of Hirshfeld atom refinement with HARt interfaced with Olex2

PubMed Central

Fugel, Malte; Hathwar, Venkatesha R.; Turner, Michael J.; Howard, Judith A. K.

2018-01-01

Hirshfeld atom refinement (HAR) is a novel X-ray structure refinement technique that employs aspherical atomic scattering factors obtained from stockholder partitioning of a theoretically determined tailor-made static electron density. HAR overcomes many of the known limitations of independent atom modelling (IAM), such as too short element–hydrogen distances, r(X—H), or too large atomic displacement parameters (ADPs). This study probes the accuracy and precision of anisotropic hydrogen and non-hydrogen ADPs and of r(X—H) values obtained from HAR. These quantities are compared and found to agree with those obtained from (i) accurate neutron diffraction data measured at the same temperatures as the X-ray data and (ii) multipole modelling (MM), an established alternative method for interpreting X-ray diffraction data with the help of aspherical atomic scattering factors. Results are presented for three chemically different systems: the aromatic hydro­carbon rubrene (orthorhombic 5,6,11,12-tetra­phenyl­tetracene), a co-crystal of zwitterionic betaine, imidazolium cations and picrate anions (BIPa), and the salt potassium hydrogen oxalate (KHOx). The non-hydrogen HAR-ADPs are as accurate and precise as the MM-ADPs. Both show excellent agreement with the neutron-based values and are superior to IAM-ADPs. The anisotropic hydrogen HAR-ADPs show a somewhat larger deviation from neutron-based values than the hydrogen SHADE-ADPs used in MM. Element–hydrogen bond lengths from HAR are in excellent agreement with those obtained from neutron diffraction experiments, although they are somewhat less precise. The residual density contour maps after HAR show fewer features than those after MM. Calculating the static electron density with the def2-TZVP basis set instead of the simpler def2-SVP one does not improve the refinement results significantly. All HARs were performed within the recently introduced HARt option implemented in the Olex2 program. They are easily launched inside its graphical user interface following a conventional IAM. PMID:29354269

Microwave-assisted synthesis and micellization behavior of soy-based copoly(2-oxazoline)s.

PubMed

Hoogenboom, Richard; Leenen, Mark A M; Huang, Haiying; Fustin, Charles-André; Gohy, Jean-François; Schubert, Ulrich S

2006-01-01

Polymers based on renewable resources are promising candidates for replacing common organic polymers, and thus, for reducing oil consumption. In this contribution we report the microwave-assisted synthesis of block and statistical copolymers from 2-ethyl-2-oxazoline and 2-"soy alkyl"-2-oxazoline via a cationic ring-opening polymerization mechanism. The synthesized copolymers were characterized by gel permeation chromatography and 1 H-NMR spectroscopy. The micellization of these amphiphilic copolymers was investigated by dynamic light scattering and atomic force microscopy to examine the effect of hydrophobic block length and monomer distribution on the resulting micellar characteristics.

Synchrotron x-ray scattering study of charge-density-wave order in HgBa2CuO4 +δ

NASA Astrophysics Data System (ADS)

Tabis, W.; Yu, B.; Bialo, I.; Bluschke, M.; Kolodziej, T.; Kozlowski, A.; Blackburn, E.; Sen, K.; Forgan, E. M.; Zimmermann, M. v.; Tang, Y.; Weschke, E.; Vignolle, B.; Hepting, M.; Gretarsson, H.; Sutarto, R.; He, F.; Le Tacon, M.; Barišić, N.; Yu, G.; Greven, M.

2017-10-01

We present a detailed synchrotron x-ray scattering study of the charge-density-wave (CDW) order in simple tetragonal HgBa2CuO4 +δ (Hg1201). Resonant soft x-ray scattering measurements reveal that short-range order appears at a temperature that is distinctly lower than the pseudogap temperature and in excellent agreement with a prior transient reflectivity result. Despite considerable structural differences between Hg1201 and YBa2Cu3O6 +δ , the CDW correlations exhibit similar doping dependencies, and we demonstrate a universal relationship between the CDW wave vector and the size of the reconstructed Fermi pocket observed in quantum oscillation experiments. The CDW correlations in Hg1201 vanish already below optimal doping, once the correlation length is comparable to the CDW modulation period, and they appear to be limited by the disorder potential from unit cells hosting two interstitial oxygen atoms. A complementary hard x-ray diffraction measurement, performed on an underdoped Hg1201 sample in magnetic fields along the crystallographic c axis of up to 16 T, provides information on the form factor of the CDW order. As expected from the single-CuO2-layer structure of Hg1201, the CDW correlations vanish at half-integer values of L and appear to be peaked at integer L . We conclude that the atomic displacements associated with the short-range CDW order are mainly planar, within the CuO2 layers.

Quantum memory with optically trapped atoms.

PubMed

Chuu, Chih-Sung; Strassel, Thorsten; Zhao, Bo; Koch, Markus; Chen, Yu-Ao; Chen, Shuai; Yuan, Zhen-Sheng; Schmiedmayer, Jörg; Pan, Jian-Wei

2008-09-19

We report the experimental demonstration of quantum memory for collective atomic states in a far-detuned optical dipole trap. Generation of the collective atomic state is heralded by the detection of a Raman scattered photon and accompanied by storage in the ensemble of atoms. The optical dipole trap provides confinement for the atoms during the quantum storage while retaining the atomic coherence. We probe the quantum storage by cross correlation of the photon pair arising from the Raman scattering and the retrieval of the atomic state stored in the memory. Nonclassical correlations are observed for storage times up to 60 mus.

Free–free experiments: the search for dressed atom effects

NASA Astrophysics Data System (ADS)

Martin, N. L. S.; Weaver, C. M.; Kim, B. N.; deHarak, B. A.

2018-07-01

Experiments on free–free electron scattering, specifically the absorption or emission of 1.17 eV photons from a Nd:YAG laser field by an unbound electron when it is scattered by an atom or molecule, are reviewed. For large scattering angles such experiments are well described by a simple analytical theory that is independent of the properties of the target. At small scattering angles this theory breaks down for targets with a high dipole polarizability α, and an additional term needs to be incorporated in the scattering amplitude. This term is proportional to the dipole polarizability, and hence introduces the properties of the target into the free–free cross section—i.e., the laser field ‘dresses’ the atom. A progress report is given of free–free experiments designed to look for such ‘dressed atom’ effects during the electron-impact excitation of argon in the presence of a laser field; the lowest excited states of argon have α ≈ 300 atomic units.

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

Zhang, Fan; Levine, Lyle E.; Allen, Andrew J.

The precipitate structure and precipitation kinetics in an Al-Cu-Mg alloy (AA2024) aged at 190 °C, 208 °C, and 226 °C have been studied using ex situ Transmission Electron Microscopy (TEM) and in situ synchrotron-based, combined ultra-small angle X-ray scattering, small angle X-ray scattering (SAXS), and wide angle X-ray scattering (WAXS) across a length scale from sub-Angstrom to several micrometers. TEM brings information concerning the nature, morphology, and size of the precipitates while SAXS and WAXS provide qualitative and quantitative information concerning the time-dependent size and volume fraction evolution of the precipitates at different stages of the precipitation sequence. Within themore » experimental time resolution, precipitation at these ageing temperatures involves dissolution of nanometer-sized small clusters and formation of the planar S phase precipitates. Using a three-parameter scattering model constructed on the basis of TEM results, we established the temperature-dependent kinetics for the cluster-dissolution and S-phase formation processes simultaneously. These two processes are shown to have different kinetic rates, with the cluster-dissolution rate approximately double the S-phase formation rate. We identified a dissolution activation energy at (149.5 ± 14.6) kJ mol-1, which translates to (1.55 ± 0.15) eV/atom, as well as an activation energy for the formation of S precipitates at (129.2 ± 5.4) kJ mol-1, i.e. (1.33 ± 0.06) eV/atom. Importantly, the SAXS/WAXS results show the absence of an intermediate Guinier-Preston Bagaryatsky 2 (GPB2)/S" phase in the samples under the experimental ageing conditions. These results are further validated by precipitation simulations that are based on Langer-Schwartz theory and a Kampmann-Wagner numerical method.« less

Rayleigh scattering of twisted light by hydrogenlike ions

NASA Astrophysics Data System (ADS)

Peshkov, A. A.; Volotka, A. V.; Surzhykov, A.; Fritzsche, S.

2018-02-01

The elastic Rayleigh scattering of twisted light and, in particular, the polarization (transfer) of the scattered photons have been analyzed within the framework of second-order perturbation theory and Dirac's relativistic equation. Special attention was paid hereby to the scattering on three different atomic targets: single atoms, a mesoscopic (small) target, and a macroscopic (large) target, which are all centered with regard to the beam axis. Detailed calculations of the polarization Stokes parameters were performed for C5 + ions and for twisted Bessel beams. It is shown that the polarization of scattered photons is sensitive to the size of an atomic target and to the helicity, the opening angle, and the projection of the total angular momentum of the incident Bessel beam. These computations indicate more that the Stokes parameters of the (Rayleigh) scattered twisted light may significantly differ from their behavior for an incident plane-wave radiation.

Path-length-resolved dynamic light scattering in highly scattering random media: The transition to diffusing wave spectroscopy

NASA Astrophysics Data System (ADS)

Bizheva, Kostadinka K.; Siegel, Andy M.; Boas, David A.

1998-12-01

We used low coherence interferometry to measure Brownian motion within highly scattering random media. A coherence gate was applied to resolve the optical path-length distribution and to separate ballistic from diffusive light. Our experimental analysis provides details on the transition from single scattering to light diffusion and its dependence on the system parameters. We found that the transition to the light diffusion regime occurs at shorter path lengths for media with higher scattering anisotropy or for larger numerical aperture of the focusing optics.

An x ray scatter approach for non-destructive chemical analysis of low atomic numbered elements

NASA Technical Reports Server (NTRS)

Ross, H. Richard

1993-01-01

A non-destructive x-ray scatter (XRS) approach has been developed, along with a rapid atomic scatter algorithm for the detection and analysis of low atomic-numbered elements in solids, powders, and liquids. The present method of energy dispersive x-ray fluorescence spectroscopy (EDXRF) makes the analysis of light elements (i.e., less than sodium; less than 11) extremely difficult. Detection and measurement become progressively worse as atomic numbers become smaller, due to a competing process called 'Auger Emission', which reduces fluorescent intensity, coupled with the high mass absorption coefficients exhibited by low energy x-rays, the detection and determination of low atomic-numbered elements by x-ray spectrometry is limited. However, an indirect approach based on the intensity ratio of Compton and Rayleigh scattered has been used to define light element components in alloys, plastics and other materials. This XRS technique provides qualitative and quantitative information about the overall constituents of a variety of samples.

Positronium formation in Ss state in e+-Li scattering

NASA Technical Reports Server (NTRS)

Sarkar, K. P.; Basu, D.; Basu, Madhumita

1990-01-01

There are ample theoretical reasons to investigate positron-alkali atom scattering. Moreover, recent measurement on positron-alkali atom system by a Detroit group has renewed much interest in investigating these processes. Positronium (Ps) formation in excited 2s state in positron-Li scattering at intermediate and high energies were studied including second order effects following Basu and Ghosh.

Thin film growth studies using time-resolved x-ray scattering

NASA Astrophysics Data System (ADS)

Kowarik, Stefan

2017-02-01

Thin-film growth is important for novel functional materials and new generations of devices. The non-equilibrium growth physics involved is very challenging, because the energy landscape for atomic scale processes is determined by many parameters, such as the diffusion and Ehrlich-Schwoebel barriers. We review the in situ real-time techniques of x-ray diffraction (XRD), x-ray growth oscillations and diffuse x-ray scattering (GISAXS) for the determination of structure and morphology on length scales from Å to µm. We give examples of time resolved growth experiments mainly from molecular thin film growth, but also highlight growth of inorganic materials using molecular beam epitaxy (MBE) and electrochemical deposition from liquids. We discuss how scaling parameters of rate equation models and fundamental energy barriers in kinetic Monte Carlo methods can be determined from fits of the real-time x-ray data.

Thin film growth studies using time-resolved x-ray scattering.

PubMed

Kowarik, Stefan

2017-02-01

Thin-film growth is important for novel functional materials and new generations of devices. The non-equilibrium growth physics involved is very challenging, because the energy landscape for atomic scale processes is determined by many parameters, such as the diffusion and Ehrlich-Schwoebel barriers. We review the in situ real-time techniques of x-ray diffraction (XRD), x-ray growth oscillations and diffuse x-ray scattering (GISAXS) for the determination of structure and morphology on length scales from Å to µm. We give examples of time resolved growth experiments mainly from molecular thin film growth, but also highlight growth of inorganic materials using molecular beam epitaxy (MBE) and electrochemical deposition from liquids. We discuss how scaling parameters of rate equation models and fundamental energy barriers in kinetic Monte Carlo methods can be determined from fits of the real-time x-ray data.

Photoelectron diffraction and holography: Some new directions

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

Fadley, C.S.

1993-08-01

Photoelectron diffraction has by now become a versatile and powerful technique for studying surface structures, with special capabilities for resolving chemical and magnetic states of atoms and deriving direct structural information from both forward scattering along bond directions and back-scattering path length differences. Further fitting experiment to theory can lead to structural accuracies in the {plus_minus}0.03 ){Angstrom} range. Holographic inversions of such diffraction data also show considerable promise for deriving local three-dimensional structures around a given emitter with accuracies of {plus_minus}0.2--0.3 {Angstrom}. Resolving the photoelectron spin in some way and using circularly polarized radiation for excitation provide added dimensions formore » the study of magnetic systems and chiral experimental geometries. Synchrotron radiation with the highest brightness and energy resolution, as well as variable polarization, is crucial to the full exploitation of these techniques.« less

Analytical Wave Functions for Ultracold Collisions.

NASA Astrophysics Data System (ADS)

Cavagnero, M. J.

1998-05-01

Secular perturbation theory of long-range interactions(M. J. Cavagnero, PRA 50) 2841, (1994). has been generalized to yield accurate wave functions for near threshold processes, including low-energy scattering processes of interest at ultracold temperatures. In particular, solutions of Schrödinger's equation have been obtained for motion in the combined r-6, r-8, and r-10 potentials appropriate for describing an utlracold collision of two neutral ground state atoms. Scattering lengths and effective ranges appropriate to such potentials are readily calculated at distances comparable to the LeRoy radius, where exchange forces can be neglected, thereby eliminating the need to integrate Schrödinger's equation to large internuclear distances. Our method yields accurate base pair solutions well beyond the energy range of effective range theories, making possible the application of multichannel quantum defect theory [MQDT] and R-matrix methods to the study of ultracold collisions.

Atomic force microscopy of gastric mucin

NASA Astrophysics Data System (ADS)

Chasan, Bernard; Hong, Zhenning; Bansil, Rama; Turner, Bradley; Ramakrishnan Bhaskar, K.; Afdhal, Nezam

2001-03-01

We report on the first results from an AFM study of porcine gastric mucin employing the tapping mode technique in aqueous solution. This glycoprotein is responsible for protecting the stomach epithelium from acid damage. Mucin was imaged on a mica substrate at pH7, and at pH2. At the higher pH we detected individual molecules in disordered configuration, with characteristic lengths of 20-40 nm. At the lower pH the mucin forms extended rod-like clusters that, at high concentrations, are aligned into planar arrays. Individual clusters are of order 50 nm long and 20 nm wide while the entire array is of order several hundred nm both in length and width. The clustering behavior at low pH is consistent with that previously detected in dynamic light scattering experiments by Cao et. al. (Biophysical J. 76:120-1258 1999).

Interface structure in nanoscale multilayers near continuous-to-discontinuous regime

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

Pradhan, P. C.; Majhi, A.; Nayak, M., E-mail: mnayak@rrcat.gov.in

2016-07-28

Interfacial atomic diffusion, reaction, and formation of microstructure in nanoscale level are investigated in W/B{sub 4}C multilayer (ML) system as functions of thickness in ultrathin limit. Hard x-ray reflectivity (XRR) and x-ray diffuse scattering in conjunction with x-ray absorption near edge spectroscopy (XANES) in soft x-ray and hard x-ray regimes and depth profiling x-ray photoelectron spectroscopy (XPS) have been used to precisely evaluate detailed interfacial structure by systematically varying the individual layer thickness from continuous-to-discontinuous regime. It is observed that the interfacial morphology undergoes an unexpected significant modification as the layer thickness varies from continuous-to-discontinuous regime. The interfacial atomic diffusionmore » increases, the physical density of W layer decreases and that of B{sub 4}C layer increases, and further more interestingly the in-plane correlation length decreases substantially as the layer thickness varies from continuous-to-discontinuous regime. This is corroborated using combined XRR and x-ray diffused scattering analysis. XANES and XPS results show formation of more and more tungsten compounds at the interfaces as the layer thickness decreases below the percolation threshold due to increase in the contact area between the elements. The formation of compound enhances to minimize certain degree of disorder at the interfaces in the discontinuous region that enables to maintain the periodic structure in ML. The degree of interfacial atomic diffusion, interlayer interaction, and microstructure is correlated as a function of layer thickness during early stage of film growth.« less

Comparative surface dynamics of amorphous and semicrystalline polymer films

PubMed Central

Becker, James S.; Brown, Ryan D.; Killelea, Daniel R.; Yuan, Hanqiu; Sibener, S. J.

2011-01-01

The surface dynamics of amorphous and semicrystalline polymer films have been measured using helium atom scattering. Time-of-flight data were collected to resolve the elastic and inelastic scattering components in the diffuse scattering of neutral helium atoms from the surface of a thin poly(ethylene terephthalate) film. Debye–Waller attenuation was observed for both the amorphous and semicrystalline phases of the polymer by recording the decay of elastically scattered helium atoms with increasing surface temperature. Thermal attenuation measurements in the specular scattering geometry yielded perpendicular mean-square displacements of 2.7•10-4 Å2 K-1 and 3.1•10-4 Å2 K-1 for the amorphous and semicrystalline surfaces, respectively. The semicrystalline surface was consistently ∼15% softer than the amorphous across a variety of perpendicular momentum transfers. The Debye–Waller factors were also measured at off-specular angles to characterize the parallel mean-square displacements, which were found to increase by an order of magnitude over the perpendicular mean-square displacements for both surfaces. In contrast to the perpendicular motion, the semicrystalline state was ∼25% stiffer than the amorphous phase in the surface plane. These results were uniquely accessed through low-energy neutral helium atom scattering due to the highly surface-sensitive and nonperturbative nature of these interactions. The goal of tailoring the chemical and physical properties of complex advanced materials requires an improved understanding of interfacial dynamics, information that is obtainable through atomic beam scattering methods. PMID:20713734

Low-energy electron scattering from atomic hydrogen. II. Elastic and inelastic scattering

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

James, K.E. Jr.; Childers, J.G.; Khakoo, M.A.

2004-02-01

We present measurements of differential cross sections for elastic electron scattering from atomic hydrogen at 20 eV and 40 eV incident electron energies and ratios of differential cross sections for electron-impact excitation of atomic hydrogen to the n=2, 3, and 4 levels at incident electron energies of 14.6 eV, 15.6 eV, 17.6 eV, 20 eV, 25 eV, and 40 eV with scattering angles ranging from 10 deg. to 130 deg. We compare our results to available experimental measurements and recent convergent close-coupling calculations. Our results resolve significant discrepancies that existed between theory and past experiments.

Dynamics of entanglement between two atomic samples with spontaneous scattering

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

Di Lisi, Antonio; De Siena, Silvio; Illuminati, Fabrizio

2004-07-01

We investigate the effects of spontaneous scattering on the evolution of entanglement of two atomic samples, probed by phase-shift measurements on optical beams interacting with both samples. We develop a formalism of conditional quantum evolutions and present a wave function analysis implemented in numerical simulations of the state vector dynamics. This method allows us to track the evolution of entanglement and to compare it with the predictions obtained when spontaneous scattering is neglected. We provide numerical evidence that the interferometric scheme to entangle atomic samples is only marginally affected by the presence of spontaneous scattering and should thus be robustmore » even in more realistic situations.« less

Elastic scattering losses from colliding Bose-Einstein condensates

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

Zin Pawel; Chwedenczuk, Jan; Trippenbach, Marek

2006-03-15

Bragg diffraction divides a Bose-Einstein condensate into two overlapping components, moving with respect to each other with high momentum. Elastic collisions between atoms from distinct wave packets can significantly deplete the condensate. Recently, Zin et al. [Phys. Rev. Lett. 94, 200401 (2005)] introduced a model of two counterpropagating atomic Gaussian wave packets incorporating the dynamics of the incoherent scattering processes. Here we study the properties of this model in detail, including the nature of the transition from spontaneous to stimulated scattering. Within the first-order approximation, we derive analytical expressions for the density matrix and anomalous density that provide excellent insightmore » into correlation properties of scattered atoms.« less

Terahertz Nanofocusing with Cantilevered Terahertz-Resonant Antenna Tips.

PubMed

Mastel, Stefan; Lundeberg, Mark B; Alonso-González, Pablo; Gao, Yuanda; Watanabe, Kenji; Taniguchi, Takashi; Hone, James; Koppens, Frank H L; Nikitin, Alexey Y; Hillenbrand, Rainer

2017-11-08

We developed THz-resonant scanning probe tips, yielding strongly enhanced and nanoscale confined THz near fields at their tip apex. The tips with length in the order of the THz wavelength (λ = 96.5 μm) were fabricated by focused ion beam (FIB) machining and attached to standard atomic force microscopy (AFM) cantilevers. Measurements of the near-field intensity at the very tip apex (25 nm radius) as a function of tip length, via graphene-based (thermoelectric) near-field detection, indicate their first and second order geometrical antenna resonances for tip length of 33 and 78 μm, respectively. On resonance, we find that the near-field intensity is enhanced by one order of magnitude compared to tips of 17 μm length (standard AFM tip length), which is corroborated by numerical simulations that further predict remarkable intensity enhancements of about 10 7 relative to the incident field. Because of the strong field enhancement and standard AFM operation of our tips, we envision manifold and straightforward future application in scattering-type THz near-field nanoscopy and THz photocurrent nanoimaging, nanoscale nonlinear THz imaging, or nanoscale control and manipulation of matter employing ultrastrong and ultrashort THz pulses.

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

Zhang Peng; Department of Physics, Renmin University of China, Beijing 100872; Naidon, Pascal

Most of the current theories on the p-wave superfluid in cold atomic gases are based on the effective-range theory for the two-body scattering, where the low-energy p-wave scattering amplitude f{sub 1}(k) is given by f{sub 1}(k)=-1/[ik+1/(Vk{sup 2})+1/R]. Here k is the incident momentum, V and R are the k-independent scattering volume and effective range, respectively. However, due to the long-range nature of the van der Waals interaction between two colliding ultracold atoms, the p-wave scattering amplitude of the two atoms is not described by the effective-range theory [J. Math. Phys. 4, 54 (1963); Phys. Rev. A 58, 4222 (1998)]. Inmore » this paper we provide an explicit calculation for the p-wave scattering of two ultracold atoms near the p-wave magnetic Feshbach resonance. We show that in this case the low-energy p-wave scattering amplitude f{sub 1}(k)=-1/[ik+1/(V{sup eff}k{sup 2})+1/(S{sup eff}k)+1/R{sup eff}] where V{sup eff}, S{sup eff}, and R{sup eff} are k-dependent parameters. Based on this result, we identify sufficient conditions for the effective-range theory to be a good approximation of the exact scattering amplitude. Using these conditions we show that the effective-range theory is a good approximation for the p-wave scattering in the ultracold gases of {sup 6}Li and {sup 40}K when the scattering volume is enhanced by the resonance.« less

Shedding Synchrotron Light on a Puzzle of Glasses

ScienceCinema

Chumakov, Aleksandr [European Synchrotron Radiation Facility, Grenoble, France

2017-12-09

Vibrational dynamics of glasses remains a point of controversial discussions. In particular, the density of vibrational states (DOS) reveals an excess of states above the Debye model called "boson peak." Despite the fact that this universal feature for all glasses has been known for more than 35 years, the nature of the boson peak is still not understood. The application of nuclear inelastic scattering via synchrotron radiation perhaps provides a clearer, more consistent picture of the subject. The distinguishing features of nuclear inelastic scattering relative to, e.g., neutron inelastic scattering, are ideal momentum integration and exact scaling of the DOS in absolute units. This allows for reliable comparison to data from other techniques such as Brillouin light scattering. Another strong point is ideal isotope selectivity: the DOS is measured for a single isotope with a specific low-energy nuclear transition. This allows for special "design" of an experiment to study, for instance, the dynamics of only center-of-mass motions. Recently, we have investigated the transformation of the DOS as a function of several key parameters such as temperature, cooling rate, and density. In all cases the transformation of the DOS is sufficiently well described by a transformation of the continuous medium, in particular, by changes of the macroscopic density and the sound velocity. These results suggest a collective sound-like nature of vibrational dynamics in glasses and cast doubts on microscopic models of glass dynamics. Further insight can be obtained in combined studies of glass with nuclear inelastic and inelastic neutron scattering. Applying two techniques, we have measured the energy dependence of the characteristic correlation length of atomic motions. The data do not reveal localization of atomic vibrations at the energy of the boson peak. Once again, the results suggest that special features of glass dynamics are related to extended motions and not to local models.

Scattered Ion Energetics for H atoms Impinging a Copper Surface

NASA Astrophysics Data System (ADS)

Defazio, J. N.; Stephen, T. M.; Peko, B. L.

2002-05-01

The energy loss and charge state of atomic hydrogen scattered from surfaces is important in a broad range of scientific endeavors. These include the charging of spacecraft, the detection of low energy neutrals in the space environment, energy transfer from magnetically confined plasmas and the modeling of low energy electric discharges. Measurements of scattered ions resulting from low energy (20 - 1000 eV) atomic hydrogen impacting a copper surface have been accomplished. Differential energy distributions and yields for H- and H+ resulting from these collisions are presented. The data show that the energy distributions develop a universal dependence, when scaled by the incident energy. These results are compared with studies involving incident hydrogen ions. For incident energies less than 100eV, there are obvious differences in the scattered ion energy distributions resulting from impacting atoms when compared to those resulting from ions.

Nonrelativistic quantum theory of the contact inelastic scattering of an x-ray photon by an atom

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

Hopersky, Alexey N.; Nadolinsky, Alexey M.

The nonrelativistic analytical structure of the doubly differential cross section of the contact inelastic scattering of an x-ray photon by a free atom is determined by means of the irreducible tensor operator theory outside the frame of the impulse approximation. For the neon atom in the vicinity of the 1s shell ionization threshold our theory predicts the existence of the distinct fine structure of the cross section caused by transitions of the atomic core electrons into the excited discrete spectrum states. The results of our calculations with inclusion of the effects of radial relaxation, inelastic scattering through the intermediate states,more » and elastic Rayleigh scattering, are predictions, while at the 22 keV incident photons they compare well with the synchrotron experiment by Jung et al. [Phys. Rev. Lett. 81, 1596 (1998)].« less

How do we know what is ‘inside the atom’?—Simulating scattering experiments in the classroom

NASA Astrophysics Data System (ADS)

Cunningham, E. S.

2017-07-01

The idea of the indivisible atom, held since the time of the ancient Greeks, was smashed just over 100 years ago. Ernest Rutherford and his team of scientists in the UK used scattering experiments to discover that atoms have a very dense and extremely small central nucleus that contains more than 99.9% of the mass of an atom and is ten thousand times smaller than an atom. Then just over 50 years ago three physicists in America: Jerome Friedman, Henry Kendall and Richard Taylor carried out scattering experiments in California, that revealed the internal structure of nucleons—later called quarks. This workshop, developed by the Public Engagement team at the Science and Technology Facilities Council, takes secondary school students through these historic discoveries and the present day scattering experiments still changing the world of science.

Molecular emulsions: from charge order to domain order.

PubMed

Perera, Aurélien

2017-10-25

Aqueous mixtures of small molecules, such as lower n-alkanols for example, are known to be micro-segregated, with domains in the nano-meter range. One consequence of this micro-segregation would be the existence of long range domain-domain oscillatory correlations in the various atom-atom pair correlation functions, and subsequent pre-peaks in the corresponding atom-atom structure factors, in the q-vector range corresponding to nano-sized domains. However, no such pre-peak have ever been observed in the large corpus of radiation scattering data published so far on aqueous mixtures of small n-alkanols. By using large scale simulations of aqueous-1propanol mixtures, it is shown herein that the origin for the absence of scattering pre-peak resides in the exact cancellation of the contributions of the various atom-atom correlation pre-peaks to the total scattered intensity. The mechanism for this cancellation is due to the differences in the long range oscillatory behaviour of the correlations (beyond 1 nm), which are exactly out-of-phase between same species and cross species. This is similar to the charge order observed in ionic melts, but differs from room temperature ionic liquids, where the segregation is between charged and neutral groups, instead of species segregation. The consequences of such cancellation in the experimental scattering data are examined, in relation to the possibility of detecting micro-segregation through such methods. In the particular case of aqueous-1propanol mixtures, it is shown the X-ray scattering leads an exact cancellation, while this cancellation in neutron scattering is seen to depend on the deuteration ratio between solvent and solute.

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.

Time Crystal Platform: From Quasicrystal Structures in Time to Systems with Exotic Interactions.

PubMed

Giergiel, Krzysztof; Miroszewski, Artur; Sacha, Krzysztof

2018-04-06

Time crystals are quantum many-body systems that, due to interactions between particles, are able to spontaneously self-organize their motion in a periodic way in time by analogy with the formation of crystalline structures in space in condensed matter physics. In solid state physics properties of space crystals are often investigated with the help of external potentials that are spatially periodic and reflect various crystalline structures. A similar approach can be applied for time crystals, as periodically driven systems constitute counterparts of spatially periodic systems, but in the time domain. Here we show that condensed matter problems ranging from single particles in potentials of quasicrystal structure to many-body systems with exotic long-range interactions can be realized in the time domain with an appropriate periodic driving. Moreover, it is possible to create molecules where atoms are bound together due to destructive interference if the atomic scattering length is modulated in time.

Time Crystal Platform: From Quasicrystal Structures in Time to Systems with Exotic Interactions

NASA Astrophysics Data System (ADS)

Giergiel, Krzysztof; Miroszewski, Artur; Sacha, Krzysztof

2018-04-01

Time crystals are quantum many-body systems that, due to interactions between particles, are able to spontaneously self-organize their motion in a periodic way in time by analogy with the formation of crystalline structures in space in condensed matter physics. In solid state physics properties of space crystals are often investigated with the help of external potentials that are spatially periodic and reflect various crystalline structures. A similar approach can be applied for time crystals, as periodically driven systems constitute counterparts of spatially periodic systems, but in the time domain. Here we show that condensed matter problems ranging from single particles in potentials of quasicrystal structure to many-body systems with exotic long-range interactions can be realized in the time domain with an appropriate periodic driving. Moreover, it is possible to create molecules where atoms are bound together due to destructive interference if the atomic scattering length is modulated in time.

Elastic electron differential cross sections for argon atom in the intermediate energy range from 40 eV to 300 eV

NASA Astrophysics Data System (ADS)

Ranković, Miloš Lj.; Maljković, Jelena B.; Tökési, Károly; Marinković, Bratislav P.

2018-02-01

Measurements and calculations for electron elastic differential cross sections (DCS) of argon atom in the energy range from 40 to 300 eV are presented. DCS have been measured in the crossed beam arrangement of the electron spectrometer with an energy resolution of 0.5 eV and angular resolution of 1.5∘ in the range of scattering angles from 20∘ to 126∘. Both angular behaviour and energy dependence of DCS are obtained in a separate sets of experiments, while the absolute scale is achieved via relative flow method, using helium as a reference gas. All data is corrected for the energy transmission function, changes of primary electron beam current and target pressure, and effective path length (volume correction). DCSs are calculated in relativistic framework by expressing the Mott's cross sections in partial wave expansion. Our results are compared with other available data.

Thermal conductance at atomically clean and disordered silicon/aluminum interfaces: A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Ih Choi, Woon; Kim, Kwiseon; Narumanchi, Sreekant

2012-09-01

Thermal resistance between layers impedes effective heat dissipation in electronics packaging applications. Thermal conductance for clean and disordered interfaces between silicon (Si) and aluminum (Al) was computed using realistic Si/Al interfaces and classical molecular dynamics with the modified embedded atom method potential. These realistic interfaces, which include atomically clean as well as disordered interfaces, were obtained using density functional theory. At 300 K, the magnitude of interfacial conductance due to phonon-phonon scattering obtained from the classical molecular dynamics simulations was approximately five times higher than the conductance obtained using analytical elastic diffuse mismatch models. Interfacial disorder reduced the thermal conductance due to increased phonon scattering with respect to the atomically clean interface. Also, the interfacial conductance, due to electron-phonon scattering at the interface, was greater than the conductance due to phonon-phonon scattering. This indicates that phonon-phonon scattering is the bottleneck for interfacial transport at the semiconductor/metal interfaces. The molecular dynamics modeling predictions for interfacial thermal conductance for a 5-nm disordered interface between Si/Al were in-line with recent experimental data in the literature.

Measurement of xenon plasma properties in an ion thruster using laser Thomson scattering technique

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

Yamamoto, N.; Tomita, K.; Sugita, K.

2012-07-15

This paper reports on the development of a method for measuring xenon plasma properties using the laser Thomson scattering technique, for application to ion engine system design. The thresholds of photo-ionization of xenon plasma were investigated and the number density of metastable atoms, which are photo-ionized by a probe laser, was measured using laser absorption spectroscopy, for several conditions. The measured threshold energy of the probe laser using a plano-convex lens with a focal length of 200 mm was 150 mJ for a xenon mass flow rate of 20 {mu}g/s and incident microwave power of 6 W; the probe lasermore » energy was therefore set as 80 mJ. Electron number density was found to be (6.2 {+-} 0.4) Multiplication-Sign 10{sup 17} m{sup -3} and electron temperature was found to be 2.2 {+-} 0.4 eV at a xenon mass flow rate of 20 {mu}g/s and incident microwave power of 6 W. The threshold of the probe laser intensity against photo-ionization in a miniature xenon ion thruster is almost constant for various mass flow rates, since the ratio of population of the metastable atoms to the electron number density is little changed.« less

Sulfide bonded atomic radii

NASA Astrophysics Data System (ADS)

Gibbs, G. V.; Ross, N. L.; Cox, D. F.

2017-09-01

The bonded radius, r b(S), of the S atom, calculated for first- and second-row non-transition metal sulfide crystals and third-row transition metal sulfide molecules and crystals indicates that the radius of the sulfur atom is not fixed as traditionally assumed, but that it decreases systematically along the bond paths of the bonded atoms with decreasing bond length as observed in an earlier study of the bonded radius of the oxygen atom. When bonded to non-transition metal atoms, r b(S) decreases systematically with decreasing bond length from 1.68 Å when the S atom is bonded to the electropositive VINa atom to 1.25 Å when bonded to the more electronegative IVP atom. In the case of transition metal atoms, rb(S) likewise decreases with decreasing bond length from 1.82 Å when bonded to Cu and to 1.12 Å when bonded to Fe. As r b(S) is not fixed at a given value but varies substantially depending on the bond length and the field strength of the bonded atoms, it is apparent that sets of crystal and atomic sulfide atomic radii based on an assumed fixed radius for the sulfur atom are satisfactory in that they reproduce bond lengths, on the one hand, whereas on the other, they are unsatisfactory in that they fail to define the actual sizes of the bonded atoms determined in terms of the minima in the electron density between the atoms. As such, we urge that the crystal chemistry and the properties of sulfides be studied in terms of the bond lengths determined by adding the radii of either the atomic and crystal radii of the atoms but not in terms of existing sets of crystal and atomic radii. After all, the bond lengths were used to determine the radii that were experimentally determined, whereas the individual radii were determined on the basis of an assumed radius for the sulfur atom.

Theory of bright-field scanning transmission electron microscopy for tomography

NASA Astrophysics Data System (ADS)

Levine, Zachary H.

2005-02-01

Radiation transport theory is applied to electron microscopy of samples composed of one or more materials. The theory, originally due to Goudsmit and Saunderson, assumes only elastic scattering and an amorphous medium dominated by atomic interactions. For samples composed of a single material, the theory yields reasonable parameter-free agreement with experimental data taken from the literature for the multiple scattering of 300-keV electrons through aluminum foils up to 25μm thick. For thin films, the theory gives a validity condition for Beer's law. For thick films, a variant of Molière's theory [V. G. Molière, Z. Naturforschg. 3a, 78 (1948)] of multiple scattering leads to a form for the bright-field signal for foils in the multiple-scattering regime. The signal varies as [tln(e1-2γt/τ)]-1 where t is the path length of the beam, τ is the mean free path for elastic scattering, and γ is Euler's constant. The Goudsmit-Saunderson solution interpolates numerically between these two limits. For samples with multiple materials, elemental sensitivity is developed through the angular dependence of the scattering. From the elastic scattering cross sections of the first 92 elements, a singular-value decomposition of a vector space spanned by the elastic scattering cross sections minus a delta function shows that there is a dominant common mode, with composition-dependent corrections of about 2%. A mathematically correct reconstruction procedure beyond 2% accuracy requires the acquisition of the bright-field signal as a function of the scattering angle. Tomographic reconstructions are carried out for three singular vectors of a sample problem with four elements Cr, Cu, Zr, and Te. The three reconstructions are presented jointly as a color image; all four elements are clearly identifiable throughout the image.

LiquidLib: A comprehensive toolbox for analyzing classical and ab initio molecular dynamics simulations of liquids and liquid-like matter with applications to neutron scattering experiments

NASA Astrophysics Data System (ADS)

Walter, Nathan P.; Jaiswal, Abhishek; Cai, Zhikun; Zhang, Yang

2018-07-01

Neutron scattering is a powerful experimental technique for characterizing the structure and dynamics of materials on the atomic or molecular scale. However, the interpretation of experimental data from neutron scattering is oftentimes not trivial, partly because scattering methods probe ensemble-averaged information in the reciprocal space. Therefore, computer simulations, such as classical and ab initio molecular dynamics, are frequently used to unravel the time-dependent atomistic configurations that can reproduce the scattering patterns and thus assist in the understanding of the microscopic origin of certain properties of materials. LiquidLib is a post-processing package for analyzing the trajectory of atomistic simulations of liquids and liquid-like matter with application to neutron scattering experiments. From an atomistic simulation, LiquidLib provides the computation of various statistical quantities including the pair distribution function, the weighted and unweighted structure factors, the mean squared displacement, the non-Gaussian parameter, the four-point correlation function, the velocity auto correlation function, the self and collective van Hove correlation functions, the self and collective intermediate scattering functions, and the bond orientational order parameter. LiquidLib analyzes atomistic trajectories generated from packages such as LAMMPS, GROMACS, and VASP. It also offers an extendable platform to conveniently integrate new quantities into the library and integrate simulation trajectories of other file formats for analysis. Weighting the quantities by element-specific neutron-scattering lengths provides results directly comparable to neutron scattering measurements. Lastly, LiquidLib is independent of dimensionality, which allows analysis of trajectories in two, three, and higher dimensions. The code is beginning to find worldwide use.

Compton spectra of atoms at high x-ray intensity

NASA Astrophysics Data System (ADS)

Son, Sang-Kil; Geffert, Otfried; Santra, Robin

2017-03-01

Compton scattering is the nonresonant inelastic scattering of an x-ray photon by an electron and has been used to probe the electron momentum distribution in gas-phase and condensed-matter samples. In the low x-ray intensity regime, Compton scattering from atoms dominantly comes from bound electrons in neutral atoms, neglecting contributions from bound electrons in ions and free (ionized) electrons. In contrast, in the high x-ray intensity regime, the sample experiences severe ionization via x-ray multiphoton multiple ionization dynamics. Thus, it becomes necessary to take into account all the contributions to the Compton scattering signal when atoms are exposed to high-intensity x-ray pulses provided by x-ray free-electron lasers (XFELs). In this paper, we investigate the Compton spectra of atoms at high x-ray intensity, using an extension of the integrated x-ray atomic physics toolkit, xatom. As the x-ray fluence increases, there is a significant contribution from ionized electrons to the Compton spectra, which gives rise to strong deviations from the Compton spectra of neutral atoms. The present study provides not only understanding of the fundamental XFEL-matter interaction but also crucial information for single-particle imaging experiments, where Compton scattering is no longer negligible. , which features invited work from the best early-career researchers working within the scope of J. Phys. B. This project is part of the Journal of Physics series’ 50th anniversary celebrations in 2017. Sang-Kil Son was selected by the Editorial Board of J. Phys. B as an Emerging Leader.

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

Brock, Billy C.; Allen, Steven E.

The monopulse response of radar systems utilizing a short-focal-length offset-fed parabolic reflector can be compromised by depolarization of the signal by the target and by multipath scattering from nearby objects. The polarimetric behavior of this type of antenna is examined. The use of a shroud to reduce multipath interaction with nearby objects is also described. The mechanism through which man-made targets can introduce cross-polarization components into the scattered field is explained. Two kinds of polarization filters, suitable for linear polarization, are described for mitigating the effects of depolarization due to cross-polarization scattering. The benefit of the application of a polarizationmore » filter is demonstrated by modeling a monopulse radar system viewing a dihedral corner reflector. The model demonstrates dramatic performance improvement when the filter is used, showing that usable performance can be achieved even when the target depolarization is so severe that the cross-polarized signal is more than an order of magnitude stronger than the desired co-polarized signal. Relevant and useful reference material is also included in the form of appendices describing the relationship between different polarization representations and demonstrating the conditions under which Maxwell's equations can be considered to be scale-invariant. Acknowledgements This report is the result of a Cooperative Research and Development Agreement (CRADA) between Sandia National Laboratories and General Atomics Aeronautical Systems, Inc. -- CRADA No. SC08/01749. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000. General Atomics Aeronautical Systems, Inc. (GA-ASI), an affiliate of privately-held General Atomics, is a leading manufacturer of Remotely Piloted Aircraft (RPA) systems, radars, and electro-optic and related mission systems, including the Predator (r) /Gray Eagle-series and Lynx (r) Multi-mode Radar. - 4 -« less

Transport Properties of Thin Bismuth Films on InP (110) Surfaces by Scanning Tunneling Potentiometry

NASA Astrophysics Data System (ADS)

Feenstra, R. M.; Briner, B. G.; Chin, T. P.; Woodall, J. M.

1996-03-01

Charge transport in 20--30 Å thick Bi-films is studied by scanning tunneling potentiometry (STP) at room temperature. The Bi is deposited on cleaved InP(110) surfaces at temperatures near 140 K, yielding atomically flat films interspersed with 12 Å deep holes. The InP substrates contain conducting/insulating/conducting layers, which in cross-section are used to form contacts to the film, thus enabling lateral current densities as high as 8 × 10^6 A/cm^2 . Potential variations due to scattering of this lateral current is detected using STP, by locating the zero-crossing of current-voltage characteristics at each pixel in an image. Potential images reveal, on a coarse scale, a smooth ramp arising from the electric field due to phonon scattering in the film, from which an electron-phonon scattering length of >1000 Å is deduced. On a finer scale, potential steps 2--10 mV high are seen near surface holes and grain boundaries in the film. Detailed study of the ballistic scattering near the holes reveals a dipole shaped feature, which is identified as a residual resistivity dipole. *present address: Physics, Carnegie Mellon Univ., Pittsburgh PA 15213 **now at: Fritz-Haber-Institut, 14195 Berlin, briner@fhi-berlin.mpg.de

Superradiance in a Large and Dilute Cloud of Cold Atoms in the Linear-Optics Regime.

PubMed

Araújo, Michelle O; Krešić, Ivor; Kaiser, Robin; Guerin, William

2016-08-12

Superradiance has been extensively studied in the 1970s and 1980s in the regime of superfluorescence, where a large number of atoms are initially excited. Cooperative scattering in the linear-optics regime, or "single-photon superradiance," has been investigated much more recently, and superradiant decay has also been predicted, even for a spherical sample of large extent and low density, where the distance between atoms is much larger than the wavelength. Here, we demonstrate this effect experimentally by directly measuring the decay rate of the off-axis fluorescence of a large and dilute cloud of cold rubidium atoms after the sudden switch off of a low-intensity laser driving the atomic transition. We show that, at large detuning, the decay rate increases with the on-resonance optical depth. In contrast to forward scattering, the superradiant decay of off-axis fluorescence is suppressed near resonance due to attenuation and multiple-scattering effects.

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

Fluorinated diglucose detergents for membrane-protein extraction.

PubMed

Boussambe, Gildas Nyame Mendendy; Guillet, Pierre; Mahler, Florian; Marconnet, Anaïs; Vargas, Carolyn; Cornut, Damien; Soulié, Marine; Ebel, Christine; Le Roy, Aline; Jawhari, Anass; Bonneté, Françoise; Keller, Sandro; Durand, Grégory

2018-05-29

Fluorinated surfactants have scarcely been explored for the direct extraction of proteins from membranes because fluorination is believed to abrogate detergency. However, we have recently shown that a commercially available fluorinated surfactant readily solubilizes lipid membranes, thereby suggesting that fluorination per se does not interfere with detergent activity. In this work, we developed new fluorinated surfactants that exhibit detergency in terms of both lipid-vesicle solubilization and membrane-protein extraction. The compounds made and tested contain two glucose moieties as polar headgroup, a hydrogenated thioether linker, and a perfluorinated alkyl tail with either 4, 6, or 8 carbon atoms. The physicochemical properties of the micelles formed by the three fluorinated surfactants were evaluated by NMR spectroscopy, surface tensiometry, isothermal titration calorimetry, dynamic light scattering, small-angle X-ray scattering, and analytical ultracentrifugation. At 25°C, micellization was mainly entropy-driven, and the CMC values were found to decrease with chain length of the fluorinated tail, whereas the aggregation number increased with chain length. Remarkably, all three surfactants were found to solubilize lipid vesicles and extract a broad range of proteins from Escherichiacoli membranes. These findings demonstrate, for the first time, that nonionic fluorinated surfactants could be further exploited for the direct extraction and solubilization of membrane proteins. Copyright © 2018. Published by Elsevier Inc.

Gaussian basis functions for highly oscillatory scattering wavefunctions

NASA Astrophysics Data System (ADS)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

Reversal of photon-scattering errors in atomic qubits.

PubMed

Akerman, N; Kotler, S; Glickman, Y; Ozeri, R

2012-09-07

Spontaneous photon scattering by an atomic qubit is a notable example of environment-induced error and is a fundamental limit to the fidelity of quantum operations. In the scattering process, the qubit loses its distinctive and coherent character owing to its entanglement with the photon. Using a single trapped ion, we show that by utilizing the information carried by the photon, we are able to coherently reverse this process and correct for the scattering error. We further used quantum process tomography to characterize the photon-scattering error and its correction scheme and demonstrate a correction fidelity greater than 85% whenever a photon was measured.

Efimov states near a Feshbach resonance and the limits of van der Waals universality at finite background scattering length

NASA Astrophysics Data System (ADS)

Langmack, Christian; Schmidt, Richard; Zwerger, Wilhelm

2018-03-01

We calculate the spectrum of three-body Efimov bound states near a Feshbach resonance within a model which accounts both for the finite range of interactions and the presence of background scattering. The latter may be due to direct interactions in an open channel or a second overlapping Feshbach resonance. It is found that background scattering gives rise to substantial changes in the trimer spectrum as a function of the detuning away from a Feshbach resonance, in particular in the regime where the background channel supports Efimov states on its own. Compared to the situation with negligible background scattering, the regime where van der Waals universality applies is shifted to larger values of the resonance strength if the background scattering length is positive. For negative background scattering lengths, in turn, van der Waals universality extends to even small values of the resonance strength parameter, consistent with experimental results on Efimov states in 39K. Within a simple model, we show that short-range three-body forces do not affect van der Waals universality significantly. Repulsive three-body forces may, however, explain the observed variation between around -8 and -10 of the ratio between the scattering length where the first Efimov trimer appears and the van der Waals length.

Raman Scattered He II 4332 and Photoionization Model in the Symbiotic Star V1016 Cygni

NASA Astrophysics Data System (ADS)

Lee, H.-W.; Heo, J.-E.; Lee, B.-C.

2014-08-01

Symbiotic stars are wide binary systems of a white dwarf and a mass losing giant. They exhibit unique Raman scattered features as a result of inelastic scattering of far UV line photons by atomic hydrogen. Co-existence of a far UV He II emission region and a thick H I region in symbiotic stars is necessary for the formation of Raman-scattered features blueward of hydrogen Balmer emission lines. Being a single electron atom, He II has the same atomic structure as the hydrogen atom and hence emits far UV emission lines that are slightly blueward of hydrogen Lyman lines. These far UV He II emission lines can be Raman scattered to appear blueward of hydrogen Balmer lines. In particular, the symbiotic star V1016 Cyg is found to exhibit Raman scattered He II 4332 feature in the BOES high resolution spectrum. Our profile fitting of Raman scattered He II 4332 is consistent with the mass loss geometry proposed by Jung & Lee (2004). We use the photoionization code ‘ CLOUDY' to estimate the far UV He II emission lines and make comparisons with the observed Raman scattered He II 4332 blueward of Hγ in the high resolution echelle V1016 Cyg. The emission nebula is assumed to be of uniform density of 108 cm-3 that is illuminated by a black body characterized by its temperature and total luminosity. With our comparisons we conclude that the Raman scattered He II features are consistent with the existence of a photoionized nebula by a hot black body source with temperature 7-8× 104 K with a luminosity 1038erg s-1.

Hanle-Zeeman Scattering Matrix for Magnetic Dipole Transitions

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

Megha, A.; Sampoorna, M.; Nagendra, K. N.

2017-06-01

The polarization of the light that is scattered by the coronal ions is influenced by the anisotropic illumination from the photosphere and the magnetic field structuring in the solar corona. The properties of the coronal magnetic fields can be well studied by understanding the polarization properties of coronal forbidden emission lines that arise from magnetic dipole ( M 1) transitions in the highly ionized atoms that are present in the corona. We present the classical scattering theory of the forbidden lines for a more general case of arbitrary-strength magnetic fields. We derive the scattering matrix for M 1 transitions usingmore » the classical magnetic dipole model of Casini and Lin and applying the scattering matrix approach of Stenflo. We consider a two-level atom model and neglect collisional effects. The scattering matrix so derived is used to study the Stokes profiles formed in coronal conditions in those regions where the radiative excitations dominate collisional excitations. To this end, we take into account the integration over a cone of an unpolarized radiation from the solar disk incident on the scattering atoms. Furthermore, we also integrate along the line of sight to calculate the emerging polarized line profiles. We consider radial and dipole magnetic field configurations and spherically symmetric density distributions. For our studies we adopt the atomic parameters corresponding to the [Fe xiii] 10747 Å coronal forbidden line. We also discuss the nature of the scattering matrix for M 1 transitions and compare it with that for the electric dipole ( E 1) transitions.« less

Precision measurement of the n-3He incoherent scattering length using neutron interferometry.

PubMed

Huber, M G; Arif, M; Black, T C; Chen, W C; Gentile, T R; Hussey, D S; Pushin, D A; Wietfeldt, F E; Yang, L

2009-05-22

We report the first measurement of the low-energy neutron-(3)He incoherent scattering length using neutron interferometry: b_{i};{'} = (-2.512 +/- 0.012 stat +/- 0.014 syst) fm. This is in good agreement with a recent calculation using the AV18 + 3N potential. The neutron-(3)He scattering lengths are important for testing and developing nuclear potential models that include three-nucleon forces, effective field theories for few-body nuclear systems, and neutron scattering measurements of quantum excitations in liquid helium. This work demonstrates the first use of a polarized nuclear target in a neutron interferometer.

Charge transfer in single and multiple scattering events at metal surfaces: a wavepacket study of the Na(+)/Cu(100) system.

PubMed

Sindona, A; Pisarra, M; Maletta, S; Riccardi, P; Falcone, G

2010-12-01

Resonant neutralization of hyperthermal energy Na(+) ions impinging on Cu(100) surfaces is studied, focusing on two specific collision events: one in which the projectile is reflected off the surface, the other in which the incident atom penetrates the outer surface layers initiating a series of scattering processes, within the target, and coming out together with a single surface atom. A semi-empirical model potential is adopted that embeds: (i) the electronic structure of the sample, (ii) the central field of the projectile, and (iii) the contribution of the Cu atom ejected in multiple scattering events. The evolution of the ionization orbital of the scattered atom is simulated, backwards in time, using a wavepacket propagation algorithm. The output of the approach is the neutralization probability, obtained by projecting the time-reversed valence wavefunction of the projectile onto the initially filled conduction band states. The results are in agreement with available data from the literature (Keller et al 1995 Phys. Rev. Lett. 75 1654) indicating that the motion of surface atoms, exiting the targets with kinetic energies of the order of a few electronvolts, plays a significant role in the final charge state of projectiles.

ELSEPA—Dirac partial-wave calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules

NASA Astrophysics Data System (ADS)

Salvat, Francesc; Jablonski, Aleksander; Powell, Cedric J.

2005-01-01

The FORTRAN 77 code system ELSEPA for the calculation of elastic scattering of electrons and positrons by atoms, positive ions and molecules is presented. These codes perform relativistic (Dirac) partial-wave calculations for scattering by a local central interaction potential V(r). For atoms and ions, the static-field approximation is adopted, with the potential set equal to the electrostatic interaction energy between the projectile and the target, plus an approximate local exchange interaction when the projectile is an electron. For projectiles with kinetic energies up to 10 keV, the potential may optionally include a semiempirical correlation-polarization potential to describe the effect of the target charge polarizability. Also, for projectiles with energies less than 1 MeV, an imaginary absorptive potential can be introduced to account for the depletion of the projectile wave function caused by open inelastic channels. Molecular cross sections are calculated by means of a single-scattering independent-atom approximation in which the electron density of a bound atom is approximated by that of the free neutral atom. Elastic scattering by individual atoms in solids is described by means of a muffin-tin model potential. Partial-wave calculations are feasible on modest personal computers for energies up to about 5 MeV. The ELSEPA code also implements approximate factorization methods that allow the fast calculation of elastic cross sections for much higher energies. The interaction model adopted in the calculations is defined by the user by combining the different options offered by the code. The nuclear charge distribution can be selected among four analytical models (point nucleus, uniformly charged sphere, Fermi's distribution and Helm's uniform-uniform distribution). The atomic electron density is handled in numerical form. The distribution package includes data files with electronic densities of neutral atoms of the elements hydrogen to lawrencium ( Z=1-103) obtained from multiconfiguration Dirac-Fock self-consistent calculations. For comparison purposes, three simple analytical approximations to the electron density of neutral atoms (corresponding to the Thomas-Fermi, the Thomas-Fermi-Dirac and the Dirac-Hartree-Fock-Slater models) are also included. For calculations of elastic scattering by ions, the electron density should be provided by the user. The exchange potential for electron scattering can be selected among three different analytical approximations (Thomas-Fermi, Furness-McCarthy, Riley-Truhlar). The offered options for the correlation-polarization potential are based on the empirical Buckingham potential. The imaginary absorption potential is calculated from the local-density approximation proposed by Salvat [Phys. Rev. A 68 (2003) 012708]. Program summaryTitle of program:ELSEPA Catalogue identifier: ADUS Program summary URL:http://cpc.cs.qub.ac.uk/cpc/summaries/ADUS Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland License provisions: none Computer for which the program is designed and others in which it is operable: Any computer with a FORTRAN 77 compiler Operating systems under which the program has been tested: Windows XP, Windows 2000, Debian GNU/Linux 3.0r0 (sarge) Compilers:Compaq Visual Fortran v6.5 (Windows); GNU FORTRAN, g77 (Windows and Linux) Programming language used: FORTRAN 77 No. of bits in a word: 32 Memory required to execute with typical data: 0.6 Mb No. of lines in distributed program, including test data, etc.:135 489 No. of bytes in distributed program, including test data, etc.: 1 280 006 Distribution format: tar.gz Keywords: Dirac partial-wave analysis, electron elastic scattering, positron elastic scattering, differential cross sections, momentum transfer cross sections, transport cross sections, scattering amplitudes, spin polarization, scattering by complex potentials, high-energy atomic screening functions Nature of the physical problem: The code calculates differential cross sections, total cross sections and transport cross sections for single elastic scattering of electrons and positrons by neutral atoms, positive ions and randomly oriented molecules. For projectiles with kinetic energies less than about 5 MeV, the programs can also compute scattering amplitudes and spin polarization functions. Method of solution: The effective interaction between the projectile and a target atom is represented by a local central potential that can optionally include an imaginary (absorptive) part to account approximately for the coupling with inelastic channels. For projectiles with kinetic energy less that about 5 MeV, the code performs a conventional relativistic Dirac partial-wave analysis. For higher kinetic energies, where the convergence of the partial-wave series is too slow, approximate factorization methods are used. Restrictions on the complexity of the program: The calculations are based on the static-field approximation. The optional correlation-polarization and inelastic absorption corrections are obtained from approximate, semiempirical models. Calculations for molecules are based on a single-scattering independent-atom approximation. To ensure accuracy of the results for scattering by ions, the electron density of the ion must be supplied by the user. Typical running time: on a 2.8 GHz Pentium 4, the calculation of elastic scattering by atoms and ions takes between a few seconds and about two minutes, depending on the atomic number of the target, the adopted potential model and the kinetic energy of the projectile. Unusual features of the program: The program calculates elastic cross sections for electrons and positrons with kinetic energies in a wide range, from a few tens of eV up to about 1 GeV. Calculations can be performed for neutral atoms of all elements, from hydrogen to lawrencium ( Z=1-103), ions and simple molecules. Commercial products are identified to specify the calculational procedures. Such identification does not imply recommendation or endorsement by the National Institute of Standards and Technology, the University of Barcelona or the Polish Academy of Sciences, nor does it imply that the products are necessarily the best available for the purpose.

University of Maryland MRSEC - Research: IRG1

Science.gov Websites

structure based on fundamental interactions, to device preparation and characterization. Materials systems figure: Electrical current in nanoscale structure perturbed by scattering at atomic scale features on its surfaces. An electrical current in a nanoscale structure is perturbed by scattering at atomic scale

Electron collisions with coherently prepared atomic targets

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

Trajmar, S.; Kanik, I.; LeClair, L.R.

1998-02-01

The subject of electron scattering by laser-excited atoms is briefly reviewed. To demonstrate some aspects of these electron collision processes, the authors describe the procedures and the results of a joint experimental and theoretical study concerning elastic scattering by coherently excited {sup 138}Ba (...6s6p {sup 1}P{sub 1}) atoms. Examples of experimental and theoretical collision parameters and magnetic sublevel differential cross sections for elastic scattering are given and compared. The convergent close coupling calculations (with the neglect of spin-orbit interaction) are in good agreement with experiment at 20 eV impact energy and 10, 15 and 20{degree} scattering angles and can bemore » expected to yield reliable integral magnetic sublevel and alignment creation cross sections. The role of these quantities in plasma polarization spectroscopy is pointed out.« less

Positron-alkali atom scattering

NASA Technical Reports Server (NTRS)

Mceachran, R. P.; Horbatsch, M.; Stauffer, A. D.; Ward, S. J.

1990-01-01

Positron-alkali atom scattering was recently investigated both theoretically and experimentally in the energy range from a few eV up to 100 eV. On the theoretical side calculations of the integrated elastic and excitation cross sections as well as total cross sections for Li, Na and K were based upon either the close-coupling method or the modified Glauber approximation. These theoretical results are in good agreement with experimental measurements of the total cross section for both Na and K. Resonance structures were also found in the L = 0, 1 and 2 partial waves for positron scattering from the alkalis. The structure of these resonances appears to be quite complex and, as expected, they occur in conjunction with the atomic excitation thresholds. Currently both theoretical and experimental work is in progress on positron-Rb scattering in the same energy range.

Contemplating Transport Characteristics by Augmenting the Length of Molecule

NASA Astrophysics Data System (ADS)

Kaur, Milanpreet; Sawhney, Ravinder Singh; Engles, Derick

2013-11-01

In this paper, we contemplated the transport characteristics of a single molecular device junction by augmenting the length of the molecule in the scattering region. The molecules considered here belongs to class of alkanedithiols (CnH2n+2S2). Specifically, we used a tight binding semi-empirical model to compute the transport characteristics of butanedithiol, pentanedithiol, hexanedithiol and heptanedithiol connected to semi-infinite gold electrodes through thiol anchoring elements. The exploration of transport properties of considered alkanes was completed for different bias voltages within the sphere of Keldysh's Non Equilibrium Green's Function (NEGF) and Extended Hückel Theory (EHT), for studying the self-consistent steady-state solution, analyzing the out-of-equilibrium electron distribution, and the behavior of the self-consistent potential. We perceived that the current and conductance retrenches with aggravation with the increase in length of the molecule with exhibition of single electron tunneling. We observed that the coupling regime shifts from strong coupling to weak for higher order alkanedithiols and the transmission is function of evenness or oddness of the carbon atoms forming an alkane.

Development of ultralow energy (1–10 eV) ion scattering spectrometry coupled with reflection absorption infrared spectroscopy and temperature programmed desorption for the investigation of molecular solids

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

Bag, Soumabha; Bhuin, Radha Gobinda; Methikkalam, Rabin Rajan J.

2014-01-15

Extremely surface specific information, limited to the first atomic layer of molecular surfaces, is essential to understand the chemistry and physics in upper atmospheric and interstellar environments. Ultra low energy ion scattering in the 1–10 eV window with mass selected ions can reveal extremely surface specific information which when coupled with reflection absorption infrared (RAIR) and temperature programmed desorption (TPD) spectroscopies, diverse chemical and physical properties of molecular species at surfaces could be derived. These experiments have to be performed at cryogenic temperatures and at ultra high vacuum conditions without the possibility of collisions of neutrals and background deposition inmore » view of the poor ion intensities and consequent need for longer exposure times. Here we combine a highly optimized low energy ion optical system designed for such studies coupled with RAIR and TPD and its initial characterization. Despite the ultralow collision energies and long ion path lengths employed, the ion intensities at 1 eV have been significant to collect a scattered ion spectrum of 1000 counts/s for mass selected CH{sub 2}{sup +}.« less

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.

Rutherford forward scattering and elastic recoil detection (RFSERD) as a method for characterizing ultra-thin films

DOE PAGES

Lohn, Andrew J.; Doyle, Barney L.; Stein, Gregory J.; ...

2014-04-03

We present a novel ion beam analysis technique combining Rutherford forward scattering and elastic recoil detection (RFSERD) and demonstrate its ability to increase efficiency in determining stoichiometry in ultrathin (5-50 nm) films as compared to Rutherford backscattering. In the conventional forward geometries, scattering from the substrate overwhelms the signal from light atoms but in RFSERD, scattered ions from the substrate are ranged out while forward scattered ions and recoiled atoms from the thin film are simultaneously detected in a single detector. Lastly, the technique is applied to tantalum oxide memristors but can be extended to a wide range of materialsmore » systems.« less

Nonlinear resonance scattering of femtosecond X-ray pulses on atoms in plasmas

NASA Astrophysics Data System (ADS)

Rosmej, F. B.; Astapenko, V. A.; Lisitsa, V. S.; Moroz, N. N.

2017-11-01

It is shown that for sufficiently short pulses the resonance scattering probability becomes a nonlinear function of the pulse duration. For fs X-ray pulses scattered on atoms in plasmas maxima and minima develop in the nonlinear regime whereas in the limit of long pulses the probability becomes linear and turns over into the standard description of the electromagnetic pulse scattering. Numerical calculations are carried out in terms of a generalized scattering probability for the total time of pulse duration including fine structure splitting and ion Doppler broadening in hot plasmas. For projected X-ray monocycles, the generalized nonlinear approach differs by 1-2 orders of magnitude from the standard theory.

On the Scattering of the Electron off the Hydrogen Atom and the Helium Ion Below and Above the Ionization Threshold: Temkin-Poet Model

NASA Astrophysics Data System (ADS)

Yarevsky, E.; Yakovlev, S. L.; Elander, N.; Volkov, M. V.

2014-08-01

We generalize here the splitting approach to the long range (Coulomb) interaction for the three body scattering problem. With this approach, the exterior complex rotation technique can be applied for systems with asymptotic Coulomb interaction. We illustrate the method with calculations of the electron scattering on the hydrogen atom and positive helium ion in the frame of the Temkin-Poet model.

Quantum chaos in ultracold collisions of gas-phase erbium atoms.

PubMed

Frisch, Albert; Mark, Michael; Aikawa, Kiyotaka; Ferlaino, Francesca; Bohn, John L; Makrides, Constantinos; Petrov, Alexander; Kotochigova, Svetlana

2014-03-27

Atomic and molecular samples reduced to temperatures below one microkelvin, yet still in the gas phase, afford unprecedented energy resolution in probing and manipulating the interactions between their constituent particles. As a result of this resolution, atoms can be made to scatter resonantly on demand, through the precise control of a magnetic field. For simple atoms, such as alkalis, scattering resonances are extremely well characterized. However, ultracold physics is now poised to enter a new regime, where much more complex species can be cooled and studied, including magnetic lanthanide atoms and even molecules. For molecules, it has been speculated that a dense set of resonances in ultracold collision cross-sections will probably exhibit essentially random fluctuations, much as the observed energy spectra of nuclear scattering do. According to the Bohigas-Giannoni-Schmit conjecture, such fluctuations would imply chaotic dynamics of the underlying classical motion driving the collision. This would necessitate new ways of looking at the fundamental interactions in ultracold atomic and molecular systems, as well as perhaps new chaos-driven states of ultracold matter. Here we describe the experimental demonstration that random spectra are indeed found at ultralow temperatures. In the experiment, an ultracold gas of erbium atoms is shown to exhibit many Fano-Feshbach resonances, of the order of three per gauss for bosons. Analysis of their statistics verifies that their distribution of nearest-neighbour spacings is what one would expect from random matrix theory. The density and statistics of these resonances are explained by fully quantum mechanical scattering calculations that locate their origin in the anisotropy of the atoms' potential energy surface. Our results therefore reveal chaotic behaviour in the native interaction between ultracold atoms.

Fluorine atom abstraction by Si(100). I. Experimental

NASA Astrophysics Data System (ADS)

Tate, M. R.; Gosalvez-Blanco, D.; Pullman, D. P.; Tsekouras, A. A.; Li, Y. L.; Yang, J. J.; Laughlin, K. B.; Eckman, S. C.; Bertino, M. F.; Ceyer, S. T.

1999-08-01

In the interaction of low energy F2 with Si(100) at 250 K, a dissociative chemisorption mechanism called atom abstraction is identified in which only one of the F atoms is adsorbed while the other F atom is scattered into the gas phase. The dynamics of atom abstraction are characterized via time-of-flight measurements of the scattered F atoms. The F atoms are translationally hyperthermal but only carry a small fraction (˜3%) of the tremendous exothermicity of the reaction. The angular distribution of F atoms is unusually broad for the product of an exothermic reaction. These results suggest an "attractive" interaction potential between F2 and the Si dangling bond with a transition state that is not constrained geometrically. These results are in disagreement with the results of theoretical investigations implying that the available potential energy surfaces are inadequate to describe the dynamics of this gas-surface interaction. In addition to single atom abstraction, two atom adsorption, a mechanism analogous to classic dissociative chemisorption in which both F atoms are adsorbed onto the surface, is also observed. The absolute probability of the three scattering channels (single atom abstraction, two atom adsorption, and unreactive scattering) for an incident F2 are determined as a function of F2 exposure. The fluorine coverage is determined by integrating the reaction probabilities over F2 exposure, and the reaction probabilities are recast as a function of fluorine coverage. Two atom adsorption is the dominant channel [P2=0.83±0.03(95%, N=9)] in the limit of zero coverage and decays monotonically to zero. Single atom abstraction is the minor channel (P1=0.13±0.03) at low coverage but increases to a maximum (P1=0.35±0.08) at about 0.5 monolayer (ML) coverage before decaying to zero. The reaction ceases at 0.94±0.11(95%, N=9) ML. Thermal desorption and helium diffraction confirm that the dangling bonds are the abstraction and adsorption sites. No Si lattice bonds are broken, in contrast to speculation by other investigators that the reaction exothermicity causes lattice disorder.

Using an atom interferometer to take the Gedanken out of Feynman's Gedankenexperiment

NASA Astrophysics Data System (ADS)

Pritchard, David E.; Hammond, Troy D.; Lenef, Alan; Rubenstein, Richard A.; Smith, Edward T.; Chapman, Michael S.; Schmiedmayer, Jörg

1997-01-01

We give a description of two experiments performed in an atom interferometer at MIT. By scattering a single photon off of the atom as it passes through the interferometer, we perform a version of a classic gedankenexperiment, a demonstration of a Feynman light microscope. As path information about the atom is gained, contrast in the atom fringes (coherence) is lost. The lost coherence is then recovered by observing only atoms which scatter photons into a particular final direction. This paper reflects the main emphasis of D. E. Pritchard's talk at the RIS meeting. Information about other topics covered in that talk, as well as a review of all of the published work performed with the MIT atom/molecule interferometer, is available on the world wide web at http://coffee.mit.edu/.

Surface structure analysis of BaSi2(100) epitaxial film grown on Si(111) using CAICISS

NASA Astrophysics Data System (ADS)

Okasaka, Shouta; Kubo, Osamu; Tamba, Daiki; Ohashi, Tomohiro; Tabata, Hiroshi; Katayama, Mitsuhiro

2015-05-01

Geometry and surface structure of a BaSi2(100) film on Si(111) formed by reactive deposition epitaxy (RDE) have been investigated using coaxial impact-collision ion scattering spectroscopy and atomic force microscopy. BaSi2(100) film can be grown only when the Ba deposition rate is sufficiently fast. It is revealed that a BaSi2(100) film grown at 600 °C has better crystallinity than a film grown at 750 °C owing to the mixture of planes other than (100) in the RDE process at higher temperatures. The azimuth angle dependence of the scattering intensity from Ba shows sixfold symmetry, indicating that the minimum height of surface steps on BaSi2(100) is half of the length of unit cell. By comparing the simulated azimuth angle dependences for more than ten surface models with experimental one, it is strongly indicated that the surface of a BaSi2(100) film grown on Si(111) is terminated by Si tetrahedra.

Large momentum part of a strongly correlated Fermi gas

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

Tan, Shina

2008-12-15

It is well known that the momentum distribution of the two-component Fermi gas with large scattering length has a tail proportional to 1/k{sup 4} at large k. We show that the magnitude of this tail is equal to the adiabatic derivative of the energy with respect to the reciprocal of the scattering length, multiplied by a simple constant. This result holds at any temperature (as long as the effective interaction radius is negligible) and any large scattering length; it also applies to few-body cases. We then show some more connections between the 1/k{sup 4} tail and various physical quantities, includingmore » the pressure at thermal equilibrium and the rate of change of energy in a dynamic sweep of the inverse scattering length.« less

Classical plasma dynamics of Mie-oscillations in atomic clusters

NASA Astrophysics Data System (ADS)

Kull, H.-J.; El-Khawaldeh, A.

2018-04-01

Mie plasmons are of basic importance for the absorption of laser light by atomic clusters. In this work we first review the classical Rayleigh-theory of a dielectric sphere in an external electric field and Thomson’s plum-pudding model applied to atomic clusters. Both approaches allow for elementary discussions of Mie oscillations, however, they also indicate deficiencies in describing the damping mechanisms by electrons crossing the cluster surface. Nonlinear oscillator models have been widely studied to gain an understanding of damping and absorption by outer ionization of the cluster. In the present work, we attempt to address the issue of plasmon relaxation in atomic clusters in more detail based on classical particle simulations. In particular, we wish to study the role of thermal motion on plasmon relaxation, thereby extending nonlinear models of collective single-electron motion. Our simulations are particularly adopted to the regime of classical kinetics in weakly coupled plasmas and to cluster sizes extending the Debye-screening length. It will be illustrated how surface scattering leads to the relaxation of Mie oscillations in the presence of thermal motion and of electron spill-out at the cluster surface. This work is intended to give, from a classical perspective, further insight into recent work on plasmon relaxation in quantum plasmas [1].

Local structure and lattice dynamics study of low dimensional materials using atomic pair distribution function and high energy resolution inelastic x-ray scattering

NASA Astrophysics Data System (ADS)

Shi, Chenyang

Structure and dynamics lie at the heart of the materials science. A detailed knowledge of both subjects would be foundational in understanding the materials' properties and predicting their potential applications. However, the task becomes increasingly dicult as the particle size is reduced to the nanometer scale. For nanostructured materials their laboratory x-ray scattering patterns are overlapped and broadened, making structure determination impossible. Atomic pair distribution function technique based on either synchrotron x-ray or neutron scattering data is known as the tool of choice for probing local structures. However, to solve the "structure problem" in low-dimensional materials with PDF is still challenging. For example for 2D materials of interest in this thesis the crystallographic modeling approach often yields unphysical thermal factors along stacking direction where new chemical intuitions about their actual structures and new modeling methodology/program are needed. Beyond this, lattice dynamical investigations on nanosized particles are extremely dicult. Laboratory tools such as Raman and infra-red only probe phonons at Brillouin zone center. Although in literature there are a great number of theoretical studies of their vibrational properties based on either empirical force elds or density functional theory, various approximations made in theories make the theoretical predictions less reliable. Also, there lacks the direct experiment result to validate the theory against. In this thesis, we studied the structure and dynamics of a wide variety of technologically relevant low-dimensional materials through synchrotron based x-ray PDF and high energy resolution inelastic x-ray scattering (HERIX) techniques. By collecting PDF data and employing advanced modeling program such as DiPy-CMI, we successfully determined the atomic structures of (i) emerging Ti3C2, Nb4C3 MXenes (transition metal carbides and/or nitrides) that are promising for energy storage applications, and of (ii) zirconium phenylphosphonate ion exchange materials that are proposed to separate lanthanide ions from actinide ions in nuclear waste. Both material systems have two-dimensional layered nanocrystalline structure where we observed that the stacking of layers are not in good registry, also known as turbostratic" disorder. Consequently the signals from a single layer of atoms dominate the experimental PDF{thus building up a single slab model and simulating PDF using Debye function analysis was sucient to capture the main structural features in the measured PDF data. The information on correlation length of layers along the stacking direction, however, is contained in low-Q diraction peaks in either laboratory x-ray or synchrotron x-ray scattering patterns. On the lattice dynamics side, we rst investigated the trend of atomic bonding strength in size dependent platinum nanoparticles based on temperature dependent PDF data and measured Debye temperatures. An anomalous bond softening was observed at a particle size less than 2 nm. Since Debye model gives a simple quadratic phonon density of states (PDOS) curve, which is a simplified version of real lattice dynamics, we are motivated to measure full PDOS curves on three CdSe nanoclusters by using non-resonant inelastic x-ray scattering technique. We observed an overall blue-shift of PDOS curves with decreased sizes. Our current exemplary studies will open the door to a large number of future structural and lattice dynamical studies on a much broader range of low-dimensional material systems.

Small angle x-ray scattering of chromatin. Radius and mass per unit length depend on linker length.

PubMed Central

Williams, S P; Langmore, J P

1991-01-01

Analyses of low angle x-ray scattering from chromatin, isolated by identical procedures but from different species, indicate that fiber diameter and number of nucleosomes per unit length increase with the amount of nucleosome linker DNA. Experiments were conducted at physiological ionic strength to obtain parameters reflecting the structure most likely present in living cells. Guinier analyses were performed on scattering from solutions of soluble chromatin from Necturus maculosus erythrocytes (linker length 48 bp), chicken erythrocytes (linker length 64 bp), and Thyone briareus sperm (linker length 87 bp). The results were extrapolated to infinite dilution to eliminate interparticle contributions to the scattering. Cross-sectional radii of gyration were found to be 10.9 +/- 0.5, 12.1 +/- 0.4, and 15.9 +/- 0.5 nm for Necturus, chicken, and Thyone chromatin, respectively, which are consistent with fiber diameters of 30.8, 34.2, and 45.0 nm. Mass per unit lengths were found to be 6.9 +/- 0.5, 8.3 +/- 0.6, and 11.8 +/- 1.4 nucleosomes per 10 nm for Necturus, chicken, and Thyone chromatin, respectively. The geometrical consequences of the experimental mass per unit lengths and radii of gyration are consistent with a conserved interaction among nucleosomes. Cross-linking agents were found to have little effect on fiber external geometry, but significant effect on internal structure. The absolute values of fiber diameter and mass per unit length, and their dependencies upon linker length agree with the predictions of the double-helical crossed-linker model. A compilation of all published x-ray scattering data from the last decade indicates that the relationship between chromatin structure and linker length is consistent with data obtained by other investigators. Images FIGURE 1 PMID:2049522

Polarized electron beams elastically scattered by atoms as a tool for testing fundamental predictions of quantum mechanics.

PubMed

Dapor, Maurizio

2018-03-29

Quantum information theory deals with quantum noise in order to protect physical quantum bits (qubits) from its effects. A single electron is an emblematic example of a qubit, and today it is possible to experimentally produce polarized ensembles of electrons. In this paper, the theory of the polarization of electron beams elastically scattered by atoms is briefly summarized. Then the POLARe program suite, a set of computer programs aimed at the calculation of the spin-polarization parameters of electron beams elastically interacting with atomic targets, is described. Selected results of the program concerning Ar, Kr, and Xe atoms are presented together with the comparison with experimental data about the Sherman function for low kinetic energy of the incident electrons (1.5eV-350eV). It is demonstrated that the quantum-relativistic theory of the polarization of electron beams elastically scattered by atoms is in good agreement with experimental data down to energies smaller than a few eV.

Coherent scattering of near-resonant light by a dense, microscopic cloud of cold two-level atoms: Experiment versus theory

NASA Astrophysics Data System (ADS)

Jennewein, Stephan; Brossard, Ludovic; Sortais, Yvan R. P.; Browaeys, Antoine; Cheinet, Patrick; Robert, Jacques; Pillet, Pierre

2018-05-01

We measure the coherent scattering of low-intensity, near-resonant light by a cloud of laser-cooled two-level rubidium atoms with a size comparable to the wavelength of light. We isolate a two-level atomic structure by applying a 300-G magnetic field. We measure both the temporal and the steady-state coherent optical response of the cloud for various detunings of the laser and for atom numbers ranging from 5 to 100. We compare our results to a microscopic coupled-dipole model and to a multimode, paraxial Maxwell-Bloch model. In the low-intensity regime, both models are in excellent agreement, thus validating the Maxwell-Bloch model. Comparing to the data, the models are found in very good agreement for relatively low densities (n /k3≲0.1 ), while significant deviations start to occur at higher density. This disagreement indicates that light scattering in dense, cold atomic ensembles is still not quantitatively understood, even in pristine experimental conditions.

Generation of a focused hollow beam by an 2π-phase plate and its application in atom or molecule optics

NASA Astrophysics Data System (ADS)

Xia, Yong; Yin, Jianping

2005-03-01

We propose a new scheme to generate a focusing hollow beam (FHB) by use of an azimuthally distributed 2π-phase plate and a convergent thin lens. From the Fresnel diffraction theory, we calculate the intensity distributions of the FHB in free propagation space and study the relationship between the waist w0 of the incident Gaussian beam (or the focal length f of the lens) and the dark spot size (or the beam radius) at the focal point and the relationship between the maximum radial intensity of the FHB and the dark spot size (or the beam radius) at the focal point, respectively. Our study shows that the FHB can be used to cool and trap neutral atoms by intensity-gradient-induced Sisyphus cooling due to an extremely high intensity gradient of the FHB itself near the focal point, or to guide and focus a cold molecular beam. We also calculate the optical potential of the blue-detuned FHB for 85Rb atoms and find that in the focal plane, the smaller the dark spot size of the FHB is, the higher the optical potential is, and the greater the corresponding optimal detuning δ is; these qualities are beneficial to an atomic lens not only because it is profitable to obtain an atomic lens with a higher resolution, but also because it is helpful to reduce the spontaneous photon-scattering effect of atoms in the FHB.

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

Tougaard, Sven

The author reports a systematic study of the range of validity of a previously developed algorithm for automated x-ray photoelectron spectroscopy analysis, which takes into account the variation in both peak intensity and the intensity in the background of inelastically scattered electrons. This test was done by first simulating spectra for the Au4d peak with gold atoms distributed in the form of a wide range of nanostructures, which includes overlayers with varying thickness, a 5 A layer of atoms buried at varying depths and a substrate covered with an overlayer of varying thickness. Next, the algorithm was applied to analyzemore » these spectra. The algorithm determines the number of atoms within the outermost 3 {lambda} of the surface. This amount of substance is denoted AOS{sub 3{lambda}} (where {lambda} is the electron inelastic mean free path). In general the determined AOS{sub 3{lambda}} is found to be accurate to within {approx}10-20% depending on the depth distribution of the atoms. The algorithm also determines a characteristic length L, which was found to give unambiguous information on the depth distribution of the atoms for practically all studied cases. A set of rules for this parameter, which relates the value of L to the depths where the atoms are distributed, was tested, and these rules were found to be generally valid with only a few exceptions. The results were found to be rather independent of the spectral energy range (from 20 to 40 eV below the peak energy) used in the analysis.« less

Stimulated Brillouin Scattering Phase Conjugation in Fiber Optic Waveguides

DTIC Science & Technology

2008-07-01

61] The discrepancy is reduced since the effective length of the interaction may be limited by the coherence length of the signal laser as in Eq...these cases, the coherence length of the pulsed laser typically limits the effective length of the Brillouin scattering interaction. Long... coherence length lasers with long fiber SBS media have been used to reduce threshold energy, but as indicated at the end of Chapter 2, this has produced

Hydrogen analysis depth calibration by CORTEO Monte-Carlo simulation

NASA Astrophysics Data System (ADS)

Moser, M.; Reichart, P.; Bergmaier, A.; Greubel, C.; Schiettekatte, F.; Dollinger, G.

2016-03-01

Hydrogen imaging with sub-μm lateral resolution and sub-ppm sensitivity has become possible with coincident proton-proton (pp) scattering analysis (Reichart et al., 2004). Depth information is evaluated from the energy sum signal with respect to energy loss of both protons on their path through the sample. In first order, there is no angular dependence due to elastic scattering. In second order, a path length effect due to different energy loss on the paths of the protons causes an angular dependence of the energy sum. Therefore, the energy sum signal has to be de-convoluted depending on the matrix composition, i.e. mainly the atomic number Z, in order to get a depth calibrated hydrogen profile. Although the path effect can be calculated analytically in first order, multiple scattering effects lead to significant deviations in the depth profile. Hence, in our new approach, we use the CORTEO Monte-Carlo code (Schiettekatte, 2008) in order to calculate the depth of a coincidence event depending on the scattering angle. The code takes individual detector geometry into account. In this paper we show, that the code correctly reproduces measured pp-scattering energy spectra with roughness effects considered. With more than 100 μm thick Mylar-sandwich targets (Si, Fe, Ge) we demonstrate the deconvolution of the energy spectra on our current multistrip detector at the microprobe SNAKE at the Munich tandem accelerator lab. As a result, hydrogen profiles can be evaluated with an accuracy in depth of about 1% of the sample thickness.

Analyzing For Light Elements By X-Ray Scattering

NASA Technical Reports Server (NTRS)

Ross, H. Richard

1993-01-01

Nondestructive method of determining concentrations of low-atomic-number elements in liquids and solids involves measurements of Compton and Rayleigh scattering of x rays. Applied in quantitative analysis of low-atomic-number constituents of alloys, of contaminants and corrosion products on surfaces of alloys, and of fractions of hydrogen in plastics, oils, and solvents.

Theoretical survey on positronium formation and ionisation in positron atom scattering

NASA Technical Reports Server (NTRS)

Basu, Madhumita; Ghosh, A. S.

1990-01-01

The recent theoretical studies are surveyed and reported on the formation of exotic atoms in positron-hydrogen, positron-helium and positron-lithium scattering specially at intermediate energy region. The ionizations of these targets by positron impact was also considered. Theoretical predictions for both the processes are compared with existing measured values.

Atomic Scattering Factor of the ASTRO-H (Hitomi) SXT Reflector Around the Gold's L Edges

NASA Technical Reports Server (NTRS)

Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Maeda, Yoshitomo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsubishi, Ikuyuki; Saji, Shigetaka

2016-01-01

The atomic scattering factor in the energy range of 11.2 - 15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT) is reported. The large effective area of the SXT makes use of photon spectra above 10 keV viable, unlike most other X-ray satellites with total-reflection mirror optics. Presence of gold's L-edges in the energy band is a major issue, as it complicates the function of the effective area. In order to model the area, the reflectivity measurements in the 11.2 - 15.4 keV band with the energy pitch of 0.4 - 0.7 eV were made in the synchrotron beam-line Spring-8 BL01B1. We obtained atomic scattering factors f1 and f2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the L-I, II, and III transitions are identified, of which the depths are found to be roughly 60 shallower than those expected from the Henkes atomic scattering factor.

POLARIZED SCATTERING OF LIGHT FOR ARBITRARY MAGNETIC FIELDS WITH LEVEL-CROSSINGS FROM THE COMBINATION OF HYPERFINE AND FINE STRUCTURE SPLITTINGS

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

Sowmya, K.; Nagendra, K. N.; Sampoorna, M.

2015-12-01

Interference between magnetic substates of the hyperfine structure states belonging to different fine structure states of the same term influences the polarization for some of the diagnostically important lines of the Sun's spectrum, like the sodium and lithium doublets. The polarization signatures of this combined interference contain information on the properties of the solar magnetic fields. Motivated by this, in the present paper, we study the problem of polarized scattering on a two-term atom with hyperfine structure by accounting for the partial redistribution in the photon frequencies arising due to the Doppler motions of the atoms. We consider the scatteringmore » atoms to be under the influence of a magnetic field of arbitrary strength and develop a formalism based on the Kramers–Heisenberg approach to calculate the scattering cross section for this process. We explore the rich polarization effects that arise from various level-crossings in the Paschen–Back regime in a single scattering case using the lithium atomic system as a concrete example that is relevant to the Sun.« less

Rayleigh scattering in an emitter-nanofiber-coupling system

NASA Astrophysics Data System (ADS)

Tang, Shui-Jing; Gao, Fei; Xu, Da; Li, Yan; Gong, Qihuang; Xiao, Yun-Feng

2017-04-01

Scattering is a general process in both fundamental and applied physics. In this paper, we investigate Rayleigh scattering of a solid-state-emitter coupled to a nanofiber, by S -matrix-like theory in k -space description. Under this model, both Rayleigh scattering and dipole interaction are studied between a two-level artificial atom embedded in a nanocrystal and fiber modes (guided and radiation modes). It is found that Rayleigh scattering plays a critical role in the transport properties and quantum statistics of photons. On the one hand, Rayleigh scattering produces the transparency in the optical transmitted field of the nanofiber, accompanied by the change of atomic phase, population, and frequency shift. On the other hand, the interference between two kinds of scattering fields by Rayleigh scattering and dipole transition modifies the photon statistics (second-order autocorrelation function) of output fields, showing a strong wavelength dependence. This study provides guidance for the solid-state emitter acting as a single-photon source and can be extended to explore the scattering effect in many-body physics.

Opportunities for Materials Science and Biological Research at the OPAL Research Reactor

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

Kennedy, S. J.

Neutron scattering techniques have evolved over more than 1/2 century into a powerful set of tools for determination of atomic and molecular structures. Modern facilities offer the possibility to determine complex structures over length scales from {approx}0.1 nm to {approx}500 nm. They can also provide information on atomic and molecular dynamics, on magnetic interactions and on the location and behaviour of hydrogen in a variety of materials. The OPAL Research Reactor is a 20 megawatt pool type reactor using low enriched uranium fuel, and cooled by water. OPAL is a multipurpose neutron factory with modern facilities for neutron beam research,more » radioisotope production and irradiation services. The neutron beam facility has been designed to compete with the best beam facilities in the world. After six years in construction, the reactor and neutron beam facilities are now being commissioned, and we will commence scientific experiments later this year. The presentation will include an outline of the strengths of neutron scattering and a description of the OPAL research reactor, with particular emphasis on it's scientific infrastructure. It will also provide an overview of the opportunities for research in materials science and biology that will be possible at OPAL, and mechanisms for accessing the facilities. The discussion will emphasize how researchers from around the world can utilize these exciting new facilities.« less

Molecular dynamics force-field refinement against quasi-elastic neutron scattering data

DOE PAGES

Borreguero Calvo, Jose M.; Lynch, Vickie E.

2015-11-23

Quasi-elastic neutron scattering (QENS) is one of the experimental techniques of choice for probing the dynamics at length and time scales that are also in the realm of full-atom molecular dynamics (MD) simulations. This overlap enables extension of current fitting methods that use time-independent equilibrium measurements to new methods fitting against dynamics data. We present an algorithm that fits simulation-derived incoherent dynamical structure factors against QENS data probing the diffusive dynamics of the system. We showcase the difficulties inherent to this type of fitting problem, namely, the disparity between simulation and experiment environment, as well as limitations in the simulationmore » due to incomplete sampling of phase space. We discuss a methodology to overcome these difficulties and apply it to a set of full-atom MD simulations for the purpose of refining the force-field parameter governing the activation energy of methyl rotation in the octa-methyl polyhedral oligomeric silsesquioxane molecule. Our optimal simulated activation energy agrees with the experimentally derived value up to a 5% difference, well within experimental error. We believe the method will find applicability to other types of diffusive motions and other representation of the systems such as coarse-grain models where empirical fitting is essential. In addition, the refinement method can be extended to the coherent dynamic structure factor with no additional effort.« less

Aspherical-atom modeling of coordination compounds by single-crystal X-ray diffraction allows the correct metal atom to be identified.

PubMed

Dittrich, Birger; Wandtke, Claudia M; Meents, Alke; Pröpper, Kevin; Mondal, Kartik Chandra; Samuel, Prinson P; Amin Sk, Nurul; Singh, Amit Pratap; Roesky, Herbert W; Sidhu, Navdeep

2015-02-02

Single-crystal X-ray diffraction (XRD) is often considered the gold standard in analytical chemistry, as it allows element identification as well as determination of atom connectivity and the solid-state structure of completely unknown samples. Element assignment is based on the number of electrons of an atom, so that a distinction of neighboring heavier elements in the periodic table by XRD is often difficult. A computationally efficient procedure for aspherical-atom least-squares refinement of conventional diffraction data of organometallic compounds is proposed. The iterative procedure is conceptually similar to Hirshfeld-atom refinement (Acta Crystallogr. Sect. A- 2008, 64, 383-393; IUCrJ. 2014, 1,61-79), but it relies on tabulated invariom scattering factors (Acta Crystallogr. Sect. B- 2013, 69, 91-104) and the Hansen/Coppens multipole model; disordered structures can be handled as well. Five linear-coordinate 3d metal complexes, for which the wrong element is found if standard independent-atom model scattering factors are relied upon, are studied, and it is shown that only aspherical-atom scattering factors allow a reliable assignment. The influence of anomalous dispersion in identifying the correct element is investigated and discussed. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Fast Computation of High Energy Elastic Collision Scattering Angle for Electric Propulsion Plume Simulation (Conference Paper with Briefing Charts)

DTIC Science & Technology

2016-07-10

Elastic Collision Scattering Angle for Electric Propulsion Plume Simulation 5a. CONTRACT NUMBER 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6...atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play significant role in typical electric propulsion ...by ANSI Std. 239.18 Fast Computation of High Energy Elastic Collision Scattering Angle for Electric Propulsion Plume Simulation∗ Samuel J. Araki1

Electron scattering by laser-excited barium atoms

NASA Technical Reports Server (NTRS)

Register, D. F.; Trajmar, S.; Jensen, S. W.; Poe, R. T.

1978-01-01

Inelastic and superelastic scattering of 30- and 100-eV electrons by laser-excited 6s 6p 1P and subsequent cascade-populated 6s 6p 3P, 6s 5d 1D, and 6s 5d 3D Ba atoms have been observed. Absolute differential cross sections for the singlet and relative scattering intensities for the triplet species have been determined in the 5 to 20 deg angular region. Under the present conditions excitations dominate over deexcitations.

Study of α-Cu 0.82Al 0.18(100) using low energy ion scattering

NASA Astrophysics Data System (ADS)

Zhu, L.; Muhlen, E. Zur; O'Connor, D. J.; King, B. V.; MacDonald, R. J.

1996-07-01

The clean α-Cu 0.82Al 0.18(100) surface has been investigated using low energy ion scattering. The surface structure was found to be similar to the structure of the Cu(100) surface. By measuring the first layer concentration of Al using He + and Ne + beams and standard calibration procedure, the α-Cu 0.82Al 0.18(100) surface was found to be slightly Al-rich. Analysis of multiple scattering of ions suggests that Al atoms do not form islands. It was also found that Al atoms sit higher than the Cu atoms on the surface. By comparison with computer simulations (SABRE and FAN2D), the buckling of Al was found to be 0.16 ± 0.07 Å. No reconstructions were observed on the surface by low energy ion scattering which is in agreement with previous LEED studies.

Universal dimer–dimer scattering in lattice effective field theory

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

Elhatisari, Serdar; Katterjohn, Kris; Lee, Dean

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion–fermion scattering length a ff and zero-range interaction, all properties of the system scale proportionally with a ff. For the case with shallow bound dimers, we calculate the dimer–dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer–dimer scattering length a dd/a ff=0.618(30) and effective range r dd/a ff=-0.431(48). This result for the effective range is the first calculation with quantified and controlled systematic errors. Wemore » also benchmark our methods by computing the fermion–dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.« less

Universal dimer–dimer scattering in lattice effective field theory

DOE PAGES

Elhatisari, Serdar; Katterjohn, Kris; Lee, Dean; ...

2017-03-14

We consider two-component fermions with short-range interactions and large scattering length. This system has universal properties that are realized in several different fields of physics. In the limit of large fermion–fermion scattering length a ff and zero-range interaction, all properties of the system scale proportionally with a ff. For the case with shallow bound dimers, we calculate the dimer–dimer scattering phase shifts using lattice effective field theory. We extract the universal dimer–dimer scattering length a dd/a ff=0.618(30) and effective range r dd/a ff=-0.431(48). This result for the effective range is the first calculation with quantified and controlled systematic errors. Wemore » also benchmark our methods by computing the fermion–dimer scattering parameters and testing some predictions of conformal scaling of irrelevant operators near the unitarity limit.« less

Material discrimination using scattering and stopping of cosmic ray muons and electrons: Differentiating heavier from lighter metals as well as low-atomic weight materials

NASA Astrophysics Data System (ADS)

Blanpied, Gary; Kumar, Sankaran; Dorroh, Dustin; Morgan, Craig; Blanpied, Isabelle; Sossong, Michael; McKenney, Shawn; Nelson, Beth

2015-06-01

Reported is a new method to apply cosmic-ray tomography in a manner that can detect and characterize not only dense assemblages of heavy nuclei (like Special Nuclear Materials, SNM) but also assemblages of medium- and light-atomic-mass materials (such as metal parts, conventional explosives, and organic materials). Characterization may enable discrimination between permitted contents in commerce and contraband (explosives, illegal drugs, and the like). Our Multi-Mode Passive Detection System (MMPDS) relies primarily on the muon component of cosmic rays to interrogate Volumes of Interest (VOI). Muons, highly energetic and massive, pass essentially un-scattered through materials of light atomic mass and are only weakly scattered by conventional metals used in industry. Substantial scattering and absorption only occur when muons encounter sufficient thicknesses of heavy elements characteristic of lead and SNM. Electrons are appreciably scattered by light elements and stopped by sufficient thicknesses of materials containing medium-atomic-mass elements (mostly metals). Data include simulations based upon GEANT and measurements in the HMT (Half Muon Tracker) detector in Poway, CA and a package scanner in both Poway and Socorro NM. A key aspect of the present work is development of a useful parameter, designated the "stopping power" of a sample. The low-density regime, comprising organic materials up to aluminum, is characterized using very little scattering but a strong variation in stopping power. The medium-to-high density regime shows a larger variation in scattering than in stopping power. The detection of emitted gamma rays is another useful signature of some materials.

Profiling of back-scattered electrons in opposed magnetic field of a Twin Electron Beam Gun

NASA Astrophysics Data System (ADS)

Sethi, S.; Gupta, Anchal; Dileep Kumar, V.; Mukherjee, Jaya; Gantayet, L. M.

2012-11-01

Electron gun is extensively used in material processing, physical vapour deposition and atomic vapour based laser processes. In these processes where the electron beam is incident on the substrate, a significant fraction of electron beam gets back-scattered from the target surface. The trajectory of this back scattered electron beam depends on the magnetic field in the vicinity. The fraction of back-scattered depends on the atomic number of the target metal and can be as high as ~40% of the incident beam current. These back-scattered electrons can cause undesired hot spots and also affect the overall process. Hence, the study of the trajectory of these back-scattered electrons is important. This paper provides the details of experimentally mapped back-scattered electrons of a 2×20kW Twin Electron Beam Gun (TEBG) in opposed magnetic field i.e. with these guns placed at 180° to each other.

Quantum scattering in one-dimensional systems satisfying the minimal length uncertainty relation

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

Bernardo, Reginald Christian S., E-mail: rcbernardo@nip.upd.edu.ph; Esguerra, Jose Perico H., E-mail: jesguerra@nip.upd.edu.ph

In quantum gravity theories, when the scattering energy is comparable to the Planck energy the Heisenberg uncertainty principle breaks down and is replaced by the minimal length uncertainty relation. In this paper, the consequences of the minimal length uncertainty relation on one-dimensional quantum scattering are studied using an approach involving a recently proposed second-order differential equation. An exact analytical expression for the tunneling probability through a locally-periodic rectangular potential barrier system is obtained. Results show that the existence of a non-zero minimal length uncertainty tends to shift the resonant tunneling energies to the positive direction. Scattering through a locally-periodic potentialmore » composed of double-rectangular potential barriers shows that the first band of resonant tunneling energies widens for minimal length cases when the double-rectangular potential barrier is symmetric but narrows down when the double-rectangular potential barrier is asymmetric. A numerical solution which exploits the use of Wronskians is used to calculate the transmission probabilities through the Pöschl–Teller well, Gaussian barrier, and double-Gaussian barrier. Results show that the probability of passage through the Pöschl–Teller well and Gaussian barrier is smaller in the minimal length cases compared to the non-minimal length case. For the double-Gaussian barrier, the probability of passage for energies that are more positive than the resonant tunneling energy is larger in the minimal length cases compared to the non-minimal length case. The approach is exact and applicable to many types of scattering potential.« less

Measurements of stretch lengths of gold mono-atomic wires covered with 1,6-hexanedithiol in 0.1 M NaClO4 with an electrochemical scanning tunneling microscope.

PubMed

Sun, Jian; Akiba, Uichi; Fujihira, Masamichi

2008-09-01

Stretch lengths of pure gold mono-atomic wires have been studied recently with an electrochemical scanning tunneling microscope (STM). Here, we will report a study of stretch lengths of gold mono-atomic wires with and without 1,6-hexanedithiol (HDT) using the STM break-junction method. First, the stretch length was measured as a function of electrode potentials of a bare Au(111) substrate and a gold STM tip in a 0.1 M NaClO4 aqueous solution. Second, a self-assembled monolayer (SAM) was fabricated on an Au(111) substrate by dipping the substrate into a 1 mM HDT ethanol solution. At last, we measured the stretch length of gold mono-atomic wires on a substrate covered with the SAM in place of the bare Au(111) substrate. We compared the electrode potential dependence of the stretch lengths of gold mono-atomic wires covered with and without HDT. We will discuss the effect of the electrode potential on the stretch lengths by taking account of electrocapillarity of gold mono-atomic wires.

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.

Decay dynamics in the coupled-dipole model

NASA Astrophysics Data System (ADS)

Araújo, M. O.; Guerin, W.; Kaiser, R.

2018-06-01

Cooperative scattering in cold atoms has gained renewed interest, in particular in the context of single-photon superradiance, with the recent experimental observation of super- and subradiance in dilute atomic clouds. Numerical simulations to support experimental signatures of cooperative scattering are often limited by the number of dipoles which can be treated, well below the number of atoms in the experiments. In this paper, we provide systematic numerical studies aimed at matching the regime of dilute atomic clouds. We use a scalar coupled-dipole model in the low excitation limit and an exclusion volume to avoid density-related effects. Scaling laws for super- and subradiance are obtained and the limits of numerical studies are pointed out. We also illustrate the cooperative nature of light scattering by considering an incident laser field, where half of the beam has a ? phase shift. The enhanced subradiance obtained under such condition provides an additional signature of the role of coherence in the detected signal.

Low-energy Scattering of Positronium by Atoms

NASA Technical Reports Server (NTRS)

Ray, Hasi

2007-01-01

The survey reports theoretical studies involving positronium (Ps) - atom scattering. Investigations carried out in last few decades have been briefly reviewed in this article. A brief description of close-coupling approximation (CCA), the first-Born approximation (FBA) and the Born-Oppenheimer approximation (BOA) for Ps-Atom systems are made. The CCA codes of Ray et a1 [1-6] are reinvestigated using very fine mesh-points to search for resonances. The article advocates the need for an extended basis set & a systematic study using CCAs.

Laser modified processes: bremsstrahlung and inelastic photon atom scattering

NASA Astrophysics Data System (ADS)

Budriga, Olimpia; Dondera, Mihai; Florescu, Viorica

2007-08-01

We consider the influence of a low-frequency monochromatic external electromagnetic field (the laser) on two basic atomic processes: electron Coulomb bremsstrahlung and inelastic photon scattering on an electron bound in the ground state of a hydrogenic atom. We briefly describe the approximations adopted and illustrate in figures how the laser parameters modify the shape of the differential cross-sections and extend the energy domain for emitted electrons, due to simultaneous absorption or emission of a large number (hundreds) of laser photons.

Some preliminary calculations of whole atom Compton scattering of unpolarized photons

NASA Astrophysics Data System (ADS)

Bergstrom, P. M.; Surić, T.; Pisk, K.; Pratt, R. H.

1992-07-01

This paper represents a preliminary attempt to develop a practical prescription for calculating whole atom cross sections for the Compton scattering of unpolarized photons from the bound electrons of an atom for the entire spectrum of scattered photon energies. We initially study the scattering of 2.94 keV photons from carbon. We make use of our new second order S-matrix computer code in this case to verify that, when our recently developed criterion for the validity of the relativistic impulse approximation (which concerns the average momentum contributing to the photon spectrum ( pav)) is satisfied, the spectrum is adequately described by the impulse approximation. This criterion is generally satisfied in the peak intensity region for scattering by the outer shells, which dominate at these scattered photon energies. For soft scattered photons, however, the spectrum, dominated by K shell contributions, is given by terms corresponding to the contribution of the " p· A" term in the nonrelativistic interaction Hamiltonian, not included in the impulse approximation. Here, the spectrum is adequately reproduced by the K shell contribution. We then consider scattering of 17.4 keV photons from aluminum and 279.1 keV photons from lead. In these cases we use the S-matrix for the K shell and the impulse approximation for the outer shells, and find good agreement with experiment.

Thomson scattering from a three-component plasma.

PubMed

Johnson, W R; Nilsen, J

2014-02-01

A model for a three-component plasma consisting of two distinct ionic species and electrons is developed and applied to study x-ray Thomson scattering. Ions of a specific type are assumed to be identical and are treated in the average-atom approximation. Given the plasma temperature and density, the model predicts mass densities, effective ionic charges, and cell volumes for each ionic type, together with the plasma chemical potential and free-electron density. Additionally, the average-atom treatment of individual ions provides a quantum-mechanical description of bound and continuum electrons. The model is used to obtain parameters needed to determine the dynamic structure factors for x-ray Thomson scattering from a three-component plasma. The contribution from inelastic scattering by free electrons is evaluated in the random-phase approximation. The contribution from inelastic scattering by bound electrons is evaluated using the bound-state and scattering wave functions obtained from the average-atom calculations. Finally, the partial static structure factors for elastic scattering by ions are evaluated using a two-component version of the Ornstein-Zernike equations with hypernetted chain closure, in which electron-ion interactions are accounted for using screened ion-ion interaction potentials. The model is used to predict the x-ray Thomson scattering spectrum from a CH plasma and the resulting spectrum is compared with experimental results obtained by Feltcher et al. [Phys. Plasmas 20, 056316 (2013)].

Quasiparticle Properties of a Mobile Impurity in a Bose-Einstein Condensate.

PubMed

Christensen, Rasmus Søgaard; Levinsen, Jesper; Bruun, Georg M

2015-10-16

We develop a systematic perturbation theory for the quasiparticle properties of a single impurity immersed in a Bose-Einstein condensate. Analytical results are derived for the impurity energy, effective mass, and residue to third order in the impurity-boson scattering length. The energy is shown to depend logarithmically on the scattering length to third order, whereas the residue and the effective mass are given by analytical power series. When the boson-boson scattering length equals the boson-impurity scattering length, the energy has the same structure as that of a weakly interacting Bose gas, including terms of the Lee-Huang-Yang and fourth order logarithmic form. Our results, which cannot be obtained within the canonical Fröhlich model of an impurity interacting with phonons, provide valuable benchmarks for many-body theories and for experiments.

Neutron scattering at the high flux isotope reactor at Oak Ridge National Laboratory

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

Yethiraj, M.; Fernandez-Baca, J.A.

Since its beginnings in Oak Ridge and Argonne in the late 1940`s, neutron scattering has been established as the premier tool to study matter in its various states. Since the thermal neutron wavelength is of the same order of magnitude as typical atomic spacings and because they have comparable energies to those of atomic excitations in solids, both structure and dynamics of matter can be studied via neutron scattering. The High Flux Isotope Reactor (HFIR) provides an intense source of neutrons with which to carry out these measurements. This paper summarizes the available neutron scattering facilities at the HFIR.

Observation of Resonant Effects in Ultracold Collisions between Heteronuclear Feshbach Molecules

NASA Astrophysics Data System (ADS)

Ye, Xin; Wang, Fudong; Zhu, Bing; Guo, Mingyang; Lu, Bo; Wang, Dajun

2016-05-01

Magnetic field dependent dimer-dimer collisional losses are studied with ultracold 23 Na87 Rb Feshbach molecules. By ramping the magnetic field across the 347.8 G inter-species Feshbach resonance and removing residual atoms with a magnetic field gradient, ~ 8000 pure NaRb Feshbach molecules with a temperature below 1 μK are produced. By holding the pure molecule sample in a crossed optical dipole trap and measuring the time-dependent loss curves under different magnetic fields near the Feshbach resonance, the dimer-dimer loss rates with respect to the atomic scattering length a are mapped out. We observe a resonant feature at around a = 600a0 and a rising tail at above a = 1600a0 . This behavior resembles previous theoretical works on homonuclear Feshbach molecule, where resonant effects between dimer-dimer collisions tied to tetramer bound states were predicted. Our work shows the possibility of exploring four-body physics within a heteronuclear system. We are supported by Hong Kong RGC General Research Fund no. CUHK403813.

Study of zinc-induced changes in lymphocyte membranes using atomic force microscopy, luminescence, and light scattering methods

NASA Astrophysics Data System (ADS)

Filimonenko, D. S.; Khairullina, A. Ya.; Yasinskii, V. M.; Kozlova, N. M.; Zubritskaja, G. P.; Slobozhanina, E. I.

2011-07-01

Changes in the surface structure of lymphocyte membranes exposed to various concentrations of zinc ions are studied. It is found by atomic force microscopy that increasing the concentration of zinc ions leads to a reduction in the correlation length of the autocorrelation function of the roughness profile of a lymphocyte compared to control samples; this may indicate the existence of fine structure in the membrane surface. Fluorescence markers are used to observe a reduction in the microviscosity of the lipids in the outer monolayer of the lipid bilayer after lymphocytes are exposed to Zn ions, as well as the exposure of phosphatidylserine on the surface membrane, and the oxidation of HS-groups of membrane proteins. Calculations of the absorption coefficients of lymphocytes modified with zinc reveal the existence of absorption bands owing to the formation of metal-protein complexes and zinc oxide nanoparticles. These results indicate significant changes in the structural and functional state of lymphocyte membranes exposed to zinc ions.

Absolute cross section measurements for the scattering of low- and intermediate-energy electrons from PF3. I. Elastic scattering

NASA Astrophysics Data System (ADS)

Hishiyama, N.; Hoshino, M.; Blanco, F.; García, G.; Tanaka, H.

2017-12-01

We report absolute elastic differential cross sections (DCSs) for electron collisions with phosphorus trifluoride, PF3, molecules (e- + PF3) in the impact energy range of 2.0-200 eV and over a scattering angle range of 10°-150°. Measured angular distributions of scattered electron intensities were normalized by reference to the elastic DCSs of He. Corresponding integral and momentum-transfer cross sections were derived by extrapolating the angular range from 0° to 180° with the help of a modified phase-shift analysis. In addition, due to the large dipole moment of the considered molecule, the dipole-Born correction for the forward scattering angles has also been applied. As a part of this study, independent atom model calculations in combination with screening corrected additivity rule were also performed for elastic and inelastic (electronic excitation plus ionization) scattering using a complex optical potential method. Rotational excitation cross sections have been estimated with a dipole-Born approximation procedure. Vibrational excitations are not considered in this calculation. Theoretical data, at the differential and integral levels, were found to reasonably agree with the present experimental results. Furthermore, we explore the systematics of the elastic DCSs for the four-atomic trifluoride molecules of XF3 (X = B, N, and P) and central P-atom in PF3, showing that, owing to the comparatively small effect of the F-atoms, the present angular distributions of elastic DCSs are essentially dominated by the characteristic of the central P-atom at lower impact energies. Finally, these quantitative results for e- - PF3 collisions were compiled together with the previous data available in the literature in order to obtain a cross section dataset for modeling purposes. To comprehensively describe such a considerable amount of data, we proceed by first discussing, in this paper, the vibrationally elastic scattering processes whereas vibrational and electronic excitation shall be the subject of our following paper devoted to inelastic collisions.

Neutron scattering studies of crude oil viscosity reduction with electric field

NASA Astrophysics Data System (ADS)

Du, Enpeng

Small-angle neutron scattering (SANS) is a very powerful laboratory technique for micro structure research which is similar to the small angle X-ray scattering (SAXS) and light scattering for microstructure investigations in various materials. In small-angle neutron scattering (SANS) technique, the neutrons are elastically scattered by changes of refractive index on a nanometer scale inside the sample through the interaction with the nuclei of the atoms present in the sample. Because the nuclei of all atoms are compact and of comparable size, neutrons are capable of interacting strongly with all atoms. This is in contrast to X-ray techniques where the X-rays interact weakly with hydrogen, the most abundant element in most samples. The SANS refractive index is directly related to the scattering length density and is a measure of the strength of the interaction of a neutron wave with a given nucleus. It can probe inhomogeneities in the nanometer scale from 1nm to 1000nm. Since the SANS technique probes the length scale in a very useful range, this technique provides valuable information over a wide variety of scientific and technological applications, including chemical aggregation, defects in materials, surfactants, colloids, ferromagnetic correlations in magnetism, alloy segregation, polymers, proteins, biological membranes, viruses, ribosome and macromolecules. Quoting the Nobel committee, when awarding the prize to C. Shull and B. Brockhouse in 1994: "Neutrons tell you where the atoms are and what the atoms do". At NIST, there is a single beam of neutrons generated from either reactor or pulsed neutron source and selected by velocity selector. The beam passes through a neutron guide then scattered by the sample. After the sample chamber, there are 2D gas detectors to collect the elastic scattering information. SANS usually uses collimation of the neutron beam to determine the scattering angle of a neutron, which results in an even lower signal-to-noise ratio for data that contains information on the properties of a sample. We can analyze the data acquisition from the detectors and get the information on size, shape, etc. This is why we choose SANS as our research tool. The world's top energy problems are security concerns, climate concerns and environmental concerns. So far, oil (37%) is still the No.1 fuel in world energy consumption (Oil 37%, Coal 25%, Bio-fuels 0.2%, Gas 23%, Nuclear 6%, Biomass 4%, Hydro 3%, Solar heat 0.5%, Wind 0.3%, Geothermal 0.2% and Solar photovoltaic 0.04%). Even more and more alternative energy: bio-fuels, nuclear and solar energy will be used in the future, but nuclear energy has a major safety issue after the Japanese Fukushima I nuclear accidents, and other energies contribute only a small percent. Thus, it is very important to improve the efficiency and reduce the population of petroleum products. There is probably one thing that we can all agree on: the world's energy reserves are not unlimited. Even though it is limited, only 30% of the oil reserves is conventional oil, so in order to produce, transport, and refine of heavy crude oil without wasting huge amounts of energy, we need to reduce the viscosity without using high temperature stream heating or diluent; As more and more off-shore oil is exploited at that we need reduce the viscosity without increasing temperature. The whole petroleum consumed in U.S. in 2009 was 18.7 million barrels per day and 35% of all the energy we consumed. Diesel is one of the very important fossil fuel which is about 20% of petroleum consumed. Most of the world's oils are non-conventional, 15 % of heavy oil, 25 % of extra heavy oil, 30 % of the oil sands and bitumen, and the conventional oil reserves is only 30%. The oil sand is closely related to the heavy crude oil, the main difference being that oil sands generally do not flow at all. For efficient energy production and conservation, how to lower the liquated fuel and crude oil viscosity is a very important topic. Dr. Tao with his group at Temple University, using his electro or magnetic rheological viscosity theory has developed a new technology, which utilizes electric or magnetic fields to change the rheology of complex fluids to reduce the viscosity, while keeping the temperature unchanged. After we successfully reduced the viscosity of crude oil with field and investigated the microstructure changing in various crude oil samples with SANS, we have continued to reduce the viscosity of heavy crude oil, bunker diesel, ultra low sulfur diesel, bio-diesel and crude oil and ultra low temperature with electric field treatment. Our research group developed the viscosity electrorheology theory and investigated flow rate with laboratory and field pipeline. But we never visualize this aggregation. The small angle neutron scattering experiment has confirmed the theoretical prediction that a strong electric field induces the suspended nano-particles inside crude oil to aggregate into short chains along the field direction. This aggregation breaks the symmetry, making the viscosity anisotropic: along the field direction, the viscosity is significantly reduced. The experiment enables us to determine the induced chain size and shape, verifies that the electric field works for all kinds of crude oils, paraffin-based, asphalt-based, and mix-based. The basic physics of such field induced viscosity reduction is applicable to all kinds of suspensions.

Fast computation of high energy elastic collision scattering angle for electric propulsion plume simulation

NASA Astrophysics Data System (ADS)

Araki, Samuel J.

2016-11-01

In the plumes of Hall thrusters and ion thrusters, high energy ions experience elastic collisions with slow neutral atoms. These collisions involve a process of momentum exchange, altering the initial velocity vectors of the collision pair. In addition to the momentum exchange process, ions and atoms can exchange electrons, resulting in slow charge-exchange ions and fast atoms. In these simulations, it is particularly important to accurately perform computations of ion-atom elastic collisions in determining the plume current profile and assessing the integration of spacecraft components. The existing models are currently capable of accurate calculation but are not fast enough such that the calculation can be a bottleneck of plume simulations. This study investigates methods to accelerate an ion-atom elastic collision calculation that includes both momentum- and charge-exchange processes. The scattering angles are pre-computed through a classical approach with ab initio spin-orbit free potential and are stored in a two-dimensional array as functions of impact parameter and energy. When performing a collision calculation for an ion-atom pair, the scattering angle is computed by a table lookup and multiple linear interpolations, given the relative energy and randomly determined impact parameter. In order to further accelerate the calculations, the number of collision calculations is reduced by properly defining two cut-off cross-sections for the elastic scattering. In the MCC method, the target atom needs to be sampled; however, it is confirmed that initial target atom velocity does not play a significant role in typical electric propulsion plume simulations such that the sampling process is unnecessary. With these implementations, the computational run-time to perform a collision calculation is reduced significantly compared to previous methods, while retaining the accuracy of the high fidelity models.

Dressing effects on the occurrence scattering time retardation and advance in a dusty plasma

NASA Astrophysics Data System (ADS)

Lee, Myoung-Jae; Jung, Young-Dae; Hanyang Plasma Team

2017-10-01

The dressing effects on the occurrence scattering time for the dust-dust interaction are investigated in a complex plasma. The first-order eikonal analysis is applied to obtain the scattering amplitude and the occurrence scattering time for the dust-dust interaction. The result shows that dressing effect enhances the retardation phenomena of the occurrence scattering time in the forward scattering domain. It is shown that the oscillatory behavior of the scaled occurrence scattering time is getting more significant with an increase of the Debye length. It is also found that the retardation domain of the occurrence scattering time increases with a decrease of the Debye length. The variation of the occurrence scattering time retardation and advance due to the dressing effect is also discussed.

Generalized pseudopotential approach for electron-atom scattering.

NASA Technical Reports Server (NTRS)

Zarlingo, D. G.; Ishihara, T.; Poe, R. T.

1972-01-01

A generalized many-electron pseudopotential approach is presented for electron-neutral-atom scattering problems. A calculation based on this formulation is carried out for the singlet s-wave and p-wave electron-hydrogen phase shifts with excellent results. We compare the method with other approaches as well as discuss its applications for inelastic and rearrangement collision problems.

Spatial resolution study and power calibration of the high-k scattering system on NSTX.

PubMed

Lee, W; Park, H K; Cho, M H; Namkung, W; Smith, D R; Domier, C W; Luhmann, N C

2008-10-01

NSTX high-k scattering system has been extensively utilized in studying the microturbulence and coherent waves. An absolute calibration of the scattering system was performed employing a new millimeter-wave source and calibrated attenuators. One of the key parameters essential for the calibration of the multichannel scattering system is the interaction length. This interaction length is significantly different from the conventional one due to the curvature and magnetic shear effect.

Intrinsic differences in atomic ordering of calcium (alumino)silicate hydrates in conventional and alkali-activated cements

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

White, Claire E., E-mail: whitece@princeton.edu; Andlinger Center for Energy and the Environment, Princeton University, Princeton; Lujan Neutron Scattering Center, Los Alamos National Laboratory, Los Alamos

2015-01-15

The atomic structures of calcium silicate hydrate (C–S–H) and calcium (–sodium) aluminosilicate hydrate (C–(N)–A–S–H) gels, and their presence in conventional and blended cement systems, have been the topic of significant debate over recent decades. Previous investigations have revealed that synthetic C–S–H gel is nanocrystalline and due to the chemical similarities between ordinary Portland cement (OPC)-based systems and low-CO{sub 2} alkali-activated slags, researchers have inferred that the atomic ordering in alkali-activated slag is the same as in OPC–slag cements. Here, X-ray total scattering is used to determine the local bonding environment and nanostructure of C(–A)–S–H gels present in hydrated tricalcium silicatemore » (C{sub 3}S), blended C{sub 3}S–slag and alkali-activated slag, revealing the large intrinsic differences in the extent of nanoscale ordering between C–S–H derived from C{sub 3}S and alkali-activated slag systems, which may have a significant influence on thermodynamic stability, and material properties at higher length scales, including long term durability of alkali-activated cements.« less

Electric-field-induced local and mesoscale structural changes in polycrystalline dielectrics and ferroelectrics

DOE PAGES

Usher, Tedi -Marie; Levin, Igor; Daniels, John E.; ...

2015-10-01

In this study, the atomic-scale response of dielectrics/ferroelectrics to electric fields is central to their functionality. Here we introduce an in situ characterization method that reveals changes in the local atomic structure in polycrystalline materials under fields. The method employs atomic pair distribution functions (PDFs), determined from X-ray total scattering that depends on orientation relative to the applied field, to probe structural changes over length scales from sub-Ångstrom to several nanometres. The PDF is sensitive to local ionic displacements and their short-range order, a key uniqueness relative to other techniques. The method is applied to representative ferroelectrics, BaTiO 3 andmore » Na ½Bi ½TiO 3, and dielectric SrTiO 3. For Na ½Bi ½TiO 3, the results reveal an abrupt field-induced monoclinic to rhombohedral phase transition, accompanied by ordering of the local Bi displacements and reorientation of the nanoscale ferroelectric domains. For BaTiO 3 and SrTiO 3, the local/nanoscale structural changes observed in the PDFs are dominated by piezoelectric lattice strain and ionic polarizability, respectively.« less

Quasiparticle Scattering in the Rashba Semiconductor BiTeBr: The Roles of Spin and Defect Lattice Site.

PubMed

Butler, Christopher John; Yang, Po-Ya; Sankar, Raman; Lien, Yen-Neng; Lu, Chun-I; Chang, Luo-Yueh; Chen, Chia-Hao; Wei, Ching-Ming; Chou, Fang-Cheng; Lin, Minn-Tsong

2016-09-28

Observations of quasiparticle interference have been used in recent years to examine exotic carrier behavior at the surfaces of emergent materials, connecting carrier dispersion and scattering dynamics to real-space features with atomic resolution. We observe quasiparticle interference in the strongly Rashba split 2DEG-like surface band found at the tellurium termination of BiTeBr and examine two mechanisms governing quasiparticle scattering: We confirm the suppression of spin-flip scattering by comparing measured quasiparticle interference with a spin-dependent elastic scattering model applied to the calculated spectral function. We also use atomically resolved STM maps to identify point defect lattice sites and spectro-microscopy imaging to discern their varying scattering strengths, which we understand in terms of the calculated orbital characteristics of the surface band. Defects on the Bi sublattice cause the strongest scattering of the predominantly Bi 6p derived surface band, with other defects causing nearly no scattering near the conduction band minimum.

Bose-Einstein condensation in atomic alkali gases

NASA Astrophysics Data System (ADS)

Dodd, Robert J.

1998-05-01

I present a review of the time-independent Gross-Pitaevskii (GP), Bogoliubov, and finite-temperature Hartree-Fock-Bogoliubov (HFB) mean-field theories used to study trapped, Bose-Einstein condensed alkali gases. Numerical solutions of the (zero-temperature) GP equation are presented for attractive (negative scattering length) and repulsive (positive scattering length) interactions. Comparison is made with the Thomas-Fermi and (variational) trial wavefunction appr oximations that are used in the literature to study condensed gases. Numerical calculations of the (zero-temperature) Bogoliubov quasi-particle excitation frequencies are found to be in excellent agreement with the experimental results. The finite-temperature properties of condensed gases are examined using the Popov approximation (of the HFB theory) and a simple two-gas model. Specific, quantitative comparisons are made with experimental results for finite-temperature excitation frequencies. Qualitative comparisons are made between the results of the Popov approximation, two-gas model, and other published models for condensate fraction and thermal density distribution. The time-independent mean-field theories are found to be in excellent agreement with experimental results at relatively low temperatures (high condensate fractions). However, at higher temperatures (and condensate fractions of less than 50%) there are significant discrepancies between experimental data and theoretical calculations. This work was undertaken at the University of Maryland at College Park and was supported in part by the National Science Foundation (PHY-9601261) and the U.S. Office of Naval Research.

Local structural behavior of PbZr0.5Ti0.5O3 during electric field application via in situ pair distribution function study

NASA Astrophysics Data System (ADS)

Zhao, Changhao; Hou, Dong; Chung, Ching-Chang; Yu, Yingying; Liu, Wenfeng; Li, Shengtao; Jones, Jacob L.

2017-11-01

The local structural behavior of PbZr0.5Ti0.5O3 (PZT 50/50) ceramics during application of an electric field was investigated using pair distribution function (PDF) analysis. In situ synchrotron total scattering was conducted, and the PDFs were calculated from the Fourier transform of the total scattering data. The PDF refinement of the zero-field data suggests a local-structure model with [001] Ti-displacement and negligible Zr-displacement. The directional PDFs at different field amplitudes indicate the bond-length distribution of the nearest Pb-B (B = Zr/Ti) pair changes significantly with the field. The radial distribution functions (RDFs) of a model for polarization rotation were calculated. The calculated and the experimental RDFs are consistent. This result suggests the changes in Pb-B bond-length distribution could be dominantly caused by polarization rotation. Peak fitting of the experimental RDFs was also conducted. The peak position trends with increasing field are mostly in agreement with the calculation result of the polarization rotation model. The area ratio of the peaks in the experimental RDFs also changed with field amplitude, indicating that Zr atoms have a detectable displacement driven by the electric field. Our study provides an experimental observation of the behaviors of PZT 50/50 under field at a local scale which supports the polarization rotation mechanism.

Photoelectron and Auger electron diffraction studies of a sulfur-terminated GaAs(001)-(2×6) surface

NASA Astrophysics Data System (ADS)

Shimoda, M.; Tsukamoto, S.; Koguchi, N.

1998-01-01

Core-level X-ray photoelectron diffraction (XPD) and Auger electron diffraction (AED) have been applied to investigate the sulfur-terminated GaAs(001)-(2×6) surface. No forward scattering peaks were found in the XPD pattern of S 2s emission, indicating that adsorbed S atoms form a single layer on the GaAs substrate. In accordance with the zincblende structure of GaAs, the AED patterns of Ga L 3M 45M 45 and As L 3M 45M 45 emission almost coincide with each other, if one of the emissions is rotated by 90° around the [001] direction. This fact suggests that the diffraction patterns mainly reflect the structure of the bulk GaAs crystal. In order to investigate the surface structure, AED patterns in large polar angles were analyzed with single scattering cluster (SSC) calculations. The best result was obtained with a model cluster where the S-S bond length was set at 0.28 nm, 30% shorter than the corresponding length of the ideal (1×1) structure, and the adsorption height was set at 0.12-0.13 nm, 10% shorter than the ideal interlayer distance of GaAs(001) planes. These values are in good agreement with the results of STM measurements. A modulation of the inter-dimer distance was also found, suggesting the existence of missing dimers.

Atomic Structure of Au 329(SR) 84 Faradaurate Plasmonic Nanomolecules

DOE PAGES

Kumara, Chanaka; Zuo, Xiaobing; Ilavsky, Jan; ...

2015-04-03

To design novel nanomaterials, it is important to precisely control the composition, determine the atomic structure, and manipulate the structure to tune the materials property. Here we present a comprehensive characterization of the material whose composition is Au 329(SR) 84 precisely, therefore referred to as a nanomolecule. The size homogeneity was shown by electron microscopy, solution X-ray scattering, and mass spectrometry. We proposed its atomic structure to contain the Au 260 core using experiments and modeling of a total-scattering-based atomic-pair distribution functional analysis. HAADF-STEM images shows fcc-like 2.0 ± 0.1 nm diameter nanomolecules.

Elastic scattering of X-rays and gamma rays by 2S electrons in ions and neutral atoms

NASA Astrophysics Data System (ADS)

Costescu, A.; Spânulescu, S.; Stoica, C.

2012-08-01

The nonrelativistic limit of Rayleigh scattering amplitude on 2s electrons of neutral and partially ionized atoms is obtained by making use of the Green Function method. The result takes into consideration the retardation, relativistic kinematics and screening effects. The spurious singularities introduced by the retardation in a nonrelativistic approach are cancelled by the relativistic kinematics. For neutral and partially ionized atoms, a screening model is considered with an effective charge obtained by fitting the Hartree-Fock charge distribution with pure Coulombian wave functions corresponding to a central potential of a nucleus with Zeff as the atomic number. The total cross section of the photoeffect on the 2s electrons is also calculated from the imaginary part of the forward scattering amplitude by means of the optical theorem. The numerical results obtained are in a good agreement (10%) with the ones obtained by Kissell for the Rayleigh amplitude and by Scofield for the Photoeffect total cross section on the 2s electrons, for atoms with atomic number 18 ≤ Z ≤ 92 and photon energies ω≤αZm. (α=1/137,... is the fine structure constant, m is the electron mass).

Coherent Radiation in Atomic Systems

NASA Astrophysics Data System (ADS)

Sutherland, Robert Tyler

Over the last century, quantum mechanics has dramatically altered our understanding of light and matter. Impressively, exploring the relationship between the two continues to provide important insights into the physics of many-body systems. In this thesis, we add to this still growing field of study. Specifically, we discuss superradiant line-broadening and cooperative dipole-dipole interactions for cold atom clouds in the linear-optics regime. We then discuss how coherent radiation changes both the photon scattering properties and the excitation distribution of atomic arrays. After that, we explore the nature of superradiance in initially inverted clouds of multi-level atoms. Finally, we explore the physics of clouds with degenerate Zeeman ground states, and show that this creates quantum effects that fundamentally change the photon scattering of atomic ensembles.

Partial Wave Dispersion Relations: Application to Electron-Atom Scattering

NASA Technical Reports Server (NTRS)

Temkin, A.; Drachman, Richard J.

1999-01-01

In this Letter we propose the use of partial wave dispersion relations (DR's) as the way of solving the long-standing problem of correctly incorporating exchange in a valid DR for electron-atom scattering. In particular a method is given for effectively calculating the contribution of the discontinuity and/or poles of the partial wave amplitude which occur in the negative E plane. The method is successfully tested in three cases: (i) the analytically solvable exponential potential, (ii) the Hartree potential, and (iii) the S-wave exchange approximation for electron-hydrogen scattering.

Determination of effective atomic number of biomedical samples using Gamma ray back-scattering

NASA Astrophysics Data System (ADS)

Singh, Inderjeet; Singh, Bhajan; Sandhu, B. S.; Sabharwal, Arvind D.

2018-05-01

The study of effective atomic number of biomedical sample has been carried out by using a non-destructive multiple back-scattering technique. Also radiation characterization method is used to compare the tissue equivalent material as human tissue. Response function of 3″ × 3″ NaI(Tl) scintillation detector is implemented on recorded pulse-height distribution to boost the counts under the photo-peak and help to reduce the uncertainty in the experimental result. Monte Carlo calculation for multiple back-scattered events supports the reported experimental work.

Modified dipole-dipole interaction and dissipation in an atomic ensemble near surfaces

NASA Astrophysics Data System (ADS)

Jones, Ryan; Needham, Jemma A.; Lesanovsky, Igor; Intravaia, Francesco; Olmos, Beatriz

2018-05-01

We study how the radiative properties of a dense ensemble of atoms can be modified when they are placed near or between metallic or dielectric surfaces. If the average separation between the atoms is comparable or smaller than the wavelength of the scattered photons, the coupling to the radiation field induces long-range coherent interactions based on the interatomic exchange of virtual photons. Moreover, the incoherent scattering of photons back to the electromagnetic field is known to be a many-body process, characterized by the appearance of superradiant and subradiant emission modes. By changing the radiation field properties, in this case by considering a layered medium where the atoms are near metallic or dielectric surfaces, these scattering properties can be dramatically modified. We perform a detailed study of these effects, with focus on experimentally relevant parameter regimes. We finish with a specific application in the context of quantum information storage, where the presence of a nearby surface is shown to increase the storage time of an atomic excitation that is transported across a one-dimensional chain.

Observation of cooperative Mie scattering from an ultracold atomic cloud

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

Bender, H.; Stehle, C.; Slama, S.

Scattering of light at a distribution of scatterers is an intrinsically cooperative process, which means that the scattering rate and the angular distribution of the scattered light are essentially governed by bulk properties of the distribution, such as its size, shape, and density, although local disorder and density fluctuations may have an important impact on the cooperativity. Via measurements of the radiation pressure force exerted by a far-detuned laser beam on a very small and dense cloud of ultracold atoms, we are able to identify the respective roles of superradiant acceleration of the scattering rate and of Mie scattering inmore » the cooperative process. They lead, respectively, to a suppression or an enhancement of the radiation pressure force. We observe a maximum in the radiation pressure force as a function of the phase shift induced in the incident laser beam by the cloud's refractive index. The maximum marks the borderline of the validity of the Rayleigh-Debye-Gans approximation from a regime, where Mie scattering is more complex. Our observations thus help to clarify the intricate relationship between Rayleigh scattering of light at a coarse-grained ensemble of individual scatterers and Mie scattering at the bulk density distribution.« less

Thermal effects in light scattering from ultracold bosons in an optical lattice

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

Lakomy, Kazimierz; Idziaszek, Zbigniew; Trippenbach, Marek

2009-10-15

We study the scattering of a weak and far-detuned light from a system of ultracold bosons in one-dimensional and three-dimensional optical lattices. We show the connection between angular distributions of the scattered light and statistical properties of a Bose gas in a periodic potential. The angular patterns are determined by the Fourier transform of the second-order correlation function, and thus they can be used to retrieve information on particle number fluctuations and correlations. We consider superfluid and Mott-insulator phases of the Bose gas in a lattice and we analyze in detail how the scattering depends on the system dimensionality, temperature,more » and atom-atom interactions.« less

The Statistical Segment Length of DNA: Opportunities for Biomechanical Modeling in Polymer Physics and Next-Generation Genomics.

PubMed

Dorfman, Kevin D

2018-02-01

The development of bright bisintercalating dyes for deoxyribonucleic acid (DNA) in the 1990s, most notably YOYO-1, revolutionized the field of polymer physics in the ensuing years. These dyes, in conjunction with modern molecular biology techniques, permit the facile observation of polymer dynamics via fluorescence microscopy and thus direct tests of different theories of polymer dynamics. At the same time, they have played a key role in advancing an emerging next-generation method known as genome mapping in nanochannels. The effect of intercalation on the bending energy of DNA as embodied by a change in its statistical segment length (or, alternatively, its persistence length) has been the subject of significant controversy. The precise value of the statistical segment length is critical for the proper interpretation of polymer physics experiments and controls the phenomena underlying the aforementioned genomics technology. In this perspective, we briefly review the model of DNA as a wormlike chain and a trio of methods (light scattering, optical or magnetic tweezers, and atomic force microscopy (AFM)) that have been used to determine the statistical segment length of DNA. We then outline the disagreement in the literature over the role of bisintercalation on the bending energy of DNA, and how a multiscale biomechanical approach could provide an important model for this scientifically and technologically relevant problem.

Asymmetric Flow-Field Flow Fractionation (AF4) of Aqueous C60 Aggregates with Dynamic Light Scattering Size and LC-MS

EPA Science Inventory

Current methods for the size determination of nanomaterials in aqueous suspension include dynamic or static light scattering and electron or atomic force microscopy techniques. Light scattering techniques are limited by poor resolution and the scattering intensity dependence on p...

Holographic method for site-resolved detection of a 2D array of ultracold atoms

NASA Astrophysics Data System (ADS)

Hoffmann, Daniel Kai; Deissler, Benjamin; Limmer, Wolfgang; Hecker Denschlag, Johannes

2016-08-01

We propose a novel approach to site-resolved detection of a 2D gas of ultracold atoms in an optical lattice. A near-resonant laser beam is coherently scattered by the atomic array, and after passing a lens its interference pattern is holographically recorded by superimposing it with a reference laser beam on a CCD chip. Fourier transformation of the recorded intensity pattern reconstructs the atomic distribution in the lattice with single-site resolution. The holographic detection method requires only about two hundred scattered photons per atom in order to achieve a high reconstruction fidelity of 99.9 %. Therefore, additional cooling during detection might not be necessary even for light atomic elements such as lithium. Furthermore, first investigations suggest that small aberrations of the lens can be post-corrected in imaging processing.

Scattered Atomic Oxygen Effects on Spacecraft Materials

NASA Technical Reports Server (NTRS)

Banks, Bruce A.; Miller, Sharon K. R.; deGroh, Kim K.; Demko, Rikako

2003-01-01

Low Earth orbital (LEO) atomic oxygen cannot only erode the external surfaces of polymers on spacecraft, but can cause degradation of surfaces internal to components on the spacecraft where openings to the space environment exist. Although atomic oxygen attack on internal or interior surfaces may not have direct exposure to the LEO atomic oxygen flux scattered impingement can have serious degradation effects where sensitive interior surfaces are present. The effects of atomic oxygen erosion of polymer interior to an aperture on a spacecraft is simulated using Monte Carlo computational techniques. A 2-dimensional model is used to provide quantitative indications of the attenuation of atomic oxygen flux as a function of distance into a parallel walled cavity. The degree of erosion re1ative is compared between the various interior locations and the external surface of a LEO spacecraft.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

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

Boiko, M. E., E-mail: m.e.boiko@mail.ioffe.ru; Sharkov, M. D.; Boiko, A. M.

2013-12-15

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Probing the microscopic corrugation of liquid surfaces with gas-liquid collisions

NASA Technical Reports Server (NTRS)

King, Mackenzie E.; Nathanson, Gilbert M.; Hanning-Lee, Mark A.; Minton, Timothy K.

1993-01-01

We have measured the directions and velocities of Ne, Ar, and Xe atoms scattering from perfluorinated ether and hydrocarbon liquids to probe the relationship between the microscopic roughness of liquid surfaces and gas-liquid collision dynamics. Impulsive energy transfer is governed by the angle of deflection: head-on encounters deposit more energy than grazing collisions. Many atoms scatter in the forward direction, particularly at glancing incidence. These results imply that the incoming atoms recoil locally from protruding C-H and C-F groups in hard spherelike collisions.

Anomalous small-angle scattering as a way to solve the Babinet principle problem

NASA Astrophysics Data System (ADS)

Boiko, M. E.; Sharkov, M. D.; Boiko, A. M.; Bobyl, A. V.

2013-12-01

X-ray absorption spectra (XAS) have been used to determine the absorption edges of atoms present in a sample under study. A series of small-angle X-ray scattering (SAXS) measurements using different monochromatic X-ray beams at different wavelengths near the absorption edges is performed to solve the Babinet principle problem. The sizes of clusters containing atoms determined by the method of XAS were defined in SAXS experiments. In contrast to differential X-ray porosimetry, anomalous SAXS makes it possible to determine sizes of clusters of different atomic compositions.

Microwave studies of weak localization and antilocalization in epitaxial graphene

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

Drabińska, Aneta; Kamińska, Maria; Wołoś, Agnieszka

2013-12-04

A microwave detection method was applied to study weak localization and antilocalization in epitaxial graphene sheets grown on both polarities of SiC substrates. Both coherence and scattering length values were obtained. The scattering lengths were found to be smaller for graphene grown on C-face of SiC. The decoherence rate was found to depend linearly on temperature, showing the electron-electron scattering mechanism.

Experimental evidence for two thermodynamic length scales in neutralized polyacrylate gels

NASA Astrophysics Data System (ADS)

Horkay, Ferenc; Hecht, Anne-Marie; Grillo, Isabelle; Basser, Peter J.; Geissler, Erik

2002-11-01

The small angle neutron scattering (SANS) behavior of fully neutralized sodium polyacrylate gels is investigated in the presence of calcium ions. Analysis of the SANS response reveals the existence of three characteristic length scales, two of which are of thermodynamic origin, while the third length is associated with the frozen-in structural inhomogeneities. This latter contribution exhibits power law behavior with a slope of about -3.6, reflecting the presence of interfaces. The osmotically active component of the scattering signal is defined by two characteristic length scales, a correlation length ξ and a persistence length L.

Improved scatterer property estimates from ultrasound backscatter for small gate lengths using a gate-edge correction factor

NASA Astrophysics Data System (ADS)

Oelze, Michael L.; O'Brien, William D.

2004-11-01

Backscattered rf signals used to construct conventional ultrasound B-mode images contain frequency-dependent information that can be examined through the backscattered power spectrum. The backscattered power spectrum is found by taking the magnitude squared of the Fourier transform of a gated time segment corresponding to a region in the scattering volume. When a time segment is gated, the edges of the gated regions change the frequency content of the backscattered power spectrum due to truncating of the waveform. Tapered windows, like the Hanning window, and longer gate lengths reduce the relative contribution of the gate-edge effects. A new gate-edge correction factor was developed that partially accounted for the edge effects. The gate-edge correction factor gave more accurate estimates of scatterer properties at small gate lengths compared to conventional windowing functions. The gate-edge correction factor gave estimates of scatterer properties within 5% of actual values at very small gate lengths (less than 5 spatial pulse lengths) in both simulations and from measurements on glass-bead phantoms. While the gate-edge correction factor gave higher accuracy of estimates at smaller gate lengths, the precision of estimates was not improved at small gate lengths over conventional windowing functions. .

Photoelectron angular distribution from free SiO2 nanoparticles as a probe of elastic electron scattering.

PubMed

Antonsson, E; Langer, B; Halfpap, I; Gottwald, J; Rühl, E

2017-06-28

In order to gain quantitative information on the surface composition of nanoparticles from X-ray photoelectron spectroscopy, a detailed understanding of photoelectron transport phenomena in these samples is needed. Theoretical results on the elastic and inelastic scattering have been reported, but a rigorous experimental verification is lacking. We report in this work on the photoelectron angular distribution from free SiO 2 nanoparticles (d = 122 ± 9 nm) after ionization by soft X-rays above the Si 2p and O 1s absorption edges, which gives insight into the relative importance of elastic and inelastic scattering channels in the sample particles. The photoelectron angular anisotropy is found to be lower for photoemission from SiO 2 nanoparticles than that expected from the theoretical values for the isolated Si and O atoms in the photoelectron kinetic energy range 20-380 eV. The reduced angular anisotropy is explained by elastic scattering of the outgoing photoelectrons from neighboring atoms, smearing out the atomic distribution. Photoelectron angular distributions yield detailed information on photoelectron elastic scattering processes allowing for a quantification of the number of elastic scattering events the photoelectrons have undergone prior to leaving the sample. The interpretation of the experimental photoelectron angular distributions is complemented by Monte Carlo simulations, which take inelastic and elastic photoelectron scattering into account using theoretical values for the scattering cross sections. The results of the simulations reproduce the experimental photoelectron angular distributions and provide further support for the assignment that elastic and inelastic electron scattering processes need to be considered.

The integration of improved Monte Carlo compton scattering algorithms into the Integrated TIGER Series.

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

Quirk, Thomas, J., IV

2004-08-01

The Integrated TIGER Series (ITS) is a software package that solves coupled electron-photon transport problems. ITS performs analog photon tracking for energies between 1 keV and 1 GeV. Unlike its deterministic counterpart, the Monte Carlo calculations of ITS do not require a memory-intensive meshing of phase space; however, its solutions carry statistical variations. Reducing these variations is heavily dependent on runtime. Monte Carlo simulations must therefore be both physically accurate and computationally efficient. Compton scattering is the dominant photon interaction above 100 keV and below 5-10 MeV, with higher cutoffs occurring in lighter atoms. In its current model of Comptonmore » scattering, ITS corrects the differential Klein-Nishina cross sections (which assumes a stationary, free electron) with the incoherent scattering function, a function dependent on both the momentum transfer and the atomic number of the scattering medium. While this technique accounts for binding effects on the scattering angle, it excludes the Doppler broadening the Compton line undergoes because of the momentum distribution in each bound state. To correct for these effects, Ribbefor's relativistic impulse approximation (IA) will be employed to create scattering cross section differential in both energy and angle for each element. Using the parameterizations suggested by Brusa et al., scattered photon energies and angle can be accurately sampled at a high efficiency with minimal physical data. Two-body kinematics then dictates the electron's scattered direction and energy. Finally, the atomic ionization is relaxed via Auger emission or fluorescence. Future work will extend these improvements in incoherent scattering to compounds and to adjoint calculations.« less

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

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

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

Neilson, James R.; McQueen, Tyrel M.

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Representational analysis of extended disorder in atomistic ensembles derived from total scattering data

DOE PAGES

Neilson, James R.; McQueen, Tyrel M.

2015-09-20

With the increased availability of high-intensity time-of-flight neutron and synchrotron X-ray scattering sources that can access wide ranges of momentum transfer, the pair distribution function method has become a standard analysis technique for studying disorder of local coordination spheres and at intermediate atomic separations. In some cases, rational modeling of the total scattering data (Bragg and diffuse) becomes intractable with least-squares approaches, necessitating reverse Monte Carlo simulations using large atomistic ensembles. However, the extraction of meaningful information from the resulting atomistic ensembles is challenging, especially at intermediate length scales. Representational analysis is used here to describe the displacements of atomsmore » in reverse Monte Carlo ensembles from an ideal crystallographic structure in an approach analogous to tight-binding methods. Rewriting the displacements in terms of a local basis that is descriptive of the ideal crystallographic symmetry provides a robust approach to characterizing medium-range order (and disorder) and symmetry breaking in complex and disordered crystalline materials. Lastly, this method enables the extraction of statistically relevant displacement modes (orientation, amplitude and distribution) of the crystalline disorder and provides directly meaningful information in a locally symmetry-adapted basis set that is most descriptive of the crystal chemistry and physics.« less

Mirror-assisted coherent backscattering from the Mollow sidebands

NASA Astrophysics Data System (ADS)

Piovella, N.; Teixeira, R. Celistrino; Kaiser, R.; Courteille, Ph. W.; Bachelard, R.

2017-11-01

In front of a mirror, the radiation of weakly driven large disordered clouds presents an interference fringe in the backward direction, on top of an incoherent background. Although strongly driven atoms usually present little coherent scattering, we show here that the mirror-assisted version can produce high contrast fringes, for arbitrarily high saturation parameters. The contrast of the fringes oscillates with the Rabi frequency of the atomic transition and the distance between the mirror and the atoms, due to the coherent interference between the carrier and the Mollow sidebands of the saturated resonant fluorescence spectrum emitted by the atoms. The setup thus represents a powerful platform to study the spectral properties of ensembles of correlated scatterers.

Evaluation of very long baseline interferometry atmospheric modeling improvements

NASA Technical Reports Server (NTRS)

Macmillan, D. S.; Ma, C.

1994-01-01

We determine the improvement in baseline length precision and accuracy using new atmospheric delay mapping functions and MTT by analyzing the NASA Crustal Dynamics Project research and development (R&D) experiments and the International Radio Interferometric Surveying (IRIS) A experiments. These mapping functions reduce baseline length scatter by about 20% below that using the CfA2.2 dry and Chao wet mapping functions. With the newer mapping functions, average station vertical scatter inferred from observed length precision (given by length repeatabilites) is 11.4 mm for the 1987-1990 monthly R&D series of experiments and 5.6 mm for the 3-week-long extended research and development experiment (ERDE) series. The inferred monthly R&D station vertical scatter is reduced by 2 mm or by 7 mm is a root-sum-square (rss) sense. Length repeatabilities are optimum when observations below a 7-8 deg elevation cutoff are removed from the geodetic solution. Analyses of IRIS-A data from 1984 through 1991 and the monthly R&D experiments both yielded a nonatmospheric unmodeled station vertical error or about 8 mm. In addition, analysis of the IRIS-A exeriments revealed systematic effects in the evolution of some baseline length measurements. The length rate of change has an apparent acceleration, and the length evolution has a quasi-annual signature. We show that the origin of these effects is unlikely to be related to atmospheric modeling errors. Rates of change of the transatlantic Westford-Wettzell and Richmond-Wettzell baseline lengths calculated from 1988 through 1991 agree with the NUVEL-1 plate motion model (Argus and Gordon, 1991) to within 1 mm/yr. Short-term (less than 90 days) variations of IRIS-A baseline length measurements contribute more than 90% of the observed scatter about a best fit line, and this short-term scatter has large variations on an annual time scale.

Morphological Characterization of Silicone Hydrogels

NASA Astrophysics Data System (ADS)

Gido, Samuel

2007-03-01

Silicone hydrogel materials are used in the latest generation of extended wear soft contact lenses. To ensure comfort and eye health, these materials must simultaneously exhibit high oxygen permeability and high water permeability / hydrophilicity. The materials achieve these opposing requirements based on bicontinuous composite of nanoscale domains of oxygen permeable (silicones) and hydrophilic (water soluble polymer) materials. The microphase separated morphology of silicone hydrogel contact lens materials was imaged using field emission gun scanning transmission electron microscopy (FEGSTEM), and atomic force microscopy (AFM). Additional morphological information was provided by small angle X-ray scattering (SAXS). These results all indicate a nanophase separated structure of silicone rich (oxygen permeable) and carbon rich (water soluble polymer) domains separated on a length scale of about 10 nm.

Formation of tungsten oxide nanowires by ion irradiation and vacuum annealing

NASA Astrophysics Data System (ADS)

Zheng, Xu-Dong; Ren, Feng; Wu, Heng-Yi; Qin, Wen-Jing; Jiang, Chang-Zhong

2018-04-01

Here we reported the fabrication of tungsten oxide (WO3-x ) nanowires by Ar+ ion irradiation of WO3 thin films followed by annealing in vacuum. The nanowire length increases with increasing irradiation fluence and with decreasing ion energy. We propose that the stress-driven diffusion of the irradiation-induced W interstitial atoms is responsible for the formation of the nanowires. Comparing to the pristine film, the fabricated nanowire film shows a 106-fold enhancement in electrical conductivity, resulting from the high-density irradiation-induced vacancies on the oxygen sublattice. The nanostructure exhibits largely enhanced surface-enhanced Raman scattering effect due to the oxygen vacancy. Thus, ion irradiation provides a powerful approach for fabricating and tailoring the surface nanostructures of semiconductors.

Method and apparatus for quantum information processing using entangled neutral-atom qubits

DOEpatents

Jau, Yuan Yu; Biedermann, Grant; Deutsch, Ivan

2018-04-03

A method for preparing an entangled quantum state of an atomic ensemble is provided. The method includes loading each atom of the atomic ensemble into a respective optical trap; placing each atom of the atomic ensemble into a same first atomic quantum state by impingement of pump radiation; approaching the atoms of the atomic ensemble to within a dipole-dipole interaction length of each other; Rydberg-dressing the atomic ensemble; during the Rydberg-dressing operation, exciting the atomic ensemble with a Raman pulse tuned to stimulate a ground-state hyperfine transition from the first atomic quantum state to a second atomic quantum state; and separating the atoms of the atomic ensemble by more than a dipole-dipole interaction length.

Virtual Excitation and Multiple Scattering Correction Terms to the Neutron Index of Refraction for Hydrogen.

PubMed

Schoen, K; Snow, W M; Kaiser, H; Werner, S A

2005-01-01

The neutron index of refraction is generally derived theoretically in the Fermi approximation. However, the Fermi approximation neglects the effects of the binding of the nuclei of a material as well as multiple scattering. Calculations by Nowak introduced correction terms to the neutron index of refraction that are quadratic in the scattering length and of order 10(-3) fm for hydrogen and deuterium. These correction terms produce a small shift in the final value for the coherent scattering length of H2 in a recent neutron interferometry experiment.

Rayleigh scattering of linear alkylbenzene in large liquid scintillator detectors.

PubMed

Zhou, Xiang; Liu, Qian; Wurm, Michael; Zhang, Qingmin; Ding, Yayun; Zhang, Zhenyu; Zheng, Yangheng; Zhou, Li; Cao, Jun; Wang, Yifang

2015-07-01

Rayleigh scattering poses an intrinsic limit for the transparency of organic liquid scintillators. This work focuses on the Rayleigh scattering length of linear alkylbenzene (LAB), which will be used as the solvent of the liquid scintillator in the central detector of the Jiangmen Underground Neutrino Observatory. We investigate the anisotropy of the Rayleigh scattering in LAB, showing that the resulting Rayleigh scattering length will be significantly shorter than reported before. Given the same overall light attenuation, this will result in a more efficient transmission of photons through the scintillator, increasing the amount of light collected by the photosensors and thereby the energy resolution of the detector.

Scattering models for some vegetation samples

NASA Technical Reports Server (NTRS)

Karam, M. A.; Fung, A. K.; Antar, Y. M. M.

1987-01-01

The Helmholtz integral equation is presently derived for a scatterer of arbitrary shape, and reduced in order to obtain the far zone-scattered field in terms of the field within the scatterer. Attention is given to the effect of different approaches to field estimation within the scatterer on the backscattering cross section, as illustrated numerically by the cases of a circular disk, a needle, and a finite-length cylinder. A comparison is made of the results obtained by modeling a leaf by means of a circular disk within the Shifrin approximation, and a tree branch by means of a finite-length cylinder, with measurements from a single leaf and a single branch.

Heat conduction in double-walled carbon nanotubes with intertube additional carbon atoms.

PubMed

Cui, Liu; Feng, Yanhui; Tan, Peng; Zhang, Xinxin

2015-07-07

Heat conduction of double-walled carbon nanotubes (DWCNTs) with intertube additional carbon atoms was investigated for the first time using a molecular dynamics method. By analyzing the phonon vibrational density of states (VDOS), we revealed that the intertube additional atoms weak the heat conduction along the tube axis. Moreover, the phonon participation ratio (PR) demonstrates that the heat transfer in DWCNTs is dominated by low frequency modes. The added atoms cause the mode weight factor (MWF) of the outer tube to decrease and that of the inner tube to increase, which implies a lower thermal conductivity. The effects of temperature, tube length, and the number and distribution of added atoms were studied. Furthermore, an orthogonal array testing strategy was designed to identify the most important structural factor. It is indicated that the tendencies of thermal conductivity of DWCNTs with added atoms change with temperature and length are similar to bare ones. In addition, thermal conductivity decreases with the increasing number of added atoms, more evidently for atom addition concentrated at some cross-sections rather than uniform addition along the tube length. Simultaneously, the number of added atoms at each cross-section has a considerably more remarkable impact, compared to the tube length and the density of chosen cross-sections to add atoms.

Helium Atom Scattering from C2H6, F2HCCH3, F3CCH2F and C2F6 in Crossed Molecular Beams

NASA Astrophysics Data System (ADS)

Hammer, Markus; Seidel, Wolfhart

1997-10-01

Rotationally unresolved differential cross sections were measured in crossed molecular beam experiments by scattering Helium atoms from Ethane, 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane and Hexafluoroethane. The damping of observed diffraction oscillations was used to extract anisotropic interaction potentials for these scattering systems applying the infinite order sudden approximation (IOSA). Binary macroscopic parameters such as second heterogeneous virial coefficients and the coefficients of diffusion and viscosity were computed from these potentials and compared to results from macroscopic experiments.

Glauber exchange amplitudes. [electron scattering from H atoms

NASA Technical Reports Server (NTRS)

Madan, R. N.

1975-01-01

The extrapolation method of Ochkur, valid for intermediate energies (about 50 eV), is applied to the exchange form of the Glauber amplitudes. In the case of elastic scattering of electrons from hydrogen atoms at 54.4 Ev the 'post' and 'prior' forms of the exchange amplitude are equivalent, whereas for the case of inelastic scattering there is a minute discrepancy between the two forms of the amplitude. The results are compared with the close-coupling calculation. The investigation is expected to be useful for optically forbidden exchange-allowed transitions due to electron impact at intermediate energies.

Elastic scattering of low energy electrons in partially ionized dense semiclassical plasma

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

Dzhumagulova, K. N., E-mail: dzhumagulova.karlygash@gmail.com; Shalenov, E. O.; Ramazanov, T. S.

2015-08-15

Elastic scattering of electrons by hydrogen atoms in a dense semiclassical hydrogen plasma for low impact energies has been studied. Differential scattering cross sections were calculated within the effective model of electron-atom interaction taking into account the effect of screening as well as the quantum mechanical effect of diffraction. The calculations were carried out on the basis of the phase-function method. The influence of the diffraction effect on the Ramsauer–Townsend effect was studied on the basis of a comparison with results made within the effective polarization model of the Buckingham type.

Trampoline motions in Xe-graphite(0 0 0 1) surface scattering

NASA Astrophysics Data System (ADS)

Watanabe, Yoshimasa; Yamaguchi, Hiroki; Hashinokuchi, Michihiro; Sawabe, Kyoichi; Maruyama, Shigeo; Matsumoto, Yoichiro; Shobatake, Kosuke

2005-09-01

We have investigated Xe scattering from the graphite(0 0 0 1) surface at hyperthermal incident energies using a molecular beam-surface scattering technique and molecular dynamics simulations. For all incident conditions, the incident Xe atom conserves the momentum parallel to the surface and loses approximately 80% of the normal incident energy. The weak interlayer potential of graphite disperses the deformation over the wide range of a graphene sheet. The dynamic corrugation induced by the collision is smooth even at hyperthermal incident energy; the graphene sheet moves like a trampoline net and the Xe atom like a trampoliner.

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.

Atomic and Molecular Beam Scattering: Characterizing Structure and Dynamics of Hybrid Organic-Semiconductor Interfaces and Introducing Novel Isotope Separation Techniques

NASA Astrophysics Data System (ADS)

Nihill, Kevin John

This thesis details a range of experiments and techniques that use the scattering of atomic beams from surfaces to both characterize a variety of interfaces and harness mass-specific scattering conditions to separate and enrich isotopic components in a mixture of gases. Helium atom scattering has been used to characterize the surface structure and vibrational dynamics of methyl-terminated Ge(111), thereby elucidating the effects of organic termination on a rigid semiconductor interface. Helium atom scattering was employed as a surface-sensitive, non-destructive probe of the surface. By means of elastic gas-surface diffraction, this technique is capable of providing measurements of atomic spacing, step height, average atomic displacement as a function of surface temperature, gas-surface potential well depth, and surface Debye temperature. Inelastic time-of-flight studies provide highly resolved energy exchange measurements between helium atoms and collective lattice vibrations, or phonons; a collection of these measurements across a range of incident kinematic parameters allowed for a thorough mapping of low-energy phonons (e.g., the Rayleigh wave) across the surface Brillouin zone and subsequent comparison with complementary theoretical calculations. The scattering of molecular beams - here, hydrogen and deuterium from methyl-terminated Si(111) - enables the measurement of the anisotropy of the gas-surface interaction potential through rotationally inelastic diffraction (RID), whereby incident atoms can exchange internal energy between translational and rotational modes and diffract into unique angular channels as a result. The probability of rotational excitations as a function of incident energy and angle were measured and compared with electronic structure and scattering calculations to provide insight into the gas-surface interaction potential and hence the surface charge density distribution, revealing important details regarding the interaction of H2 with an organic-functionalized semiconductor interface. Aside from their use as probes for surface structure and dynamics, atomic beam sources are also demonstrated to enable the efficient separation of gaseous mixtures of isotopes by means of diffraction and differential condensation. In the former method, the kinematic conditions for elastic diffraction result in an incident beam of natural abundance neon diffracting into isotopically distinct angles, resulting in the enrichment of a desired isotope; this purification can be improved by exploiting the difference in arrival times of the two isotopes at a given final angle. In the latter method, the identical incident velocities of coexpanded isotopes lead to minor but important differences in their incident kinetic energies, and thus their probability of adsorbing on a sufficiently cold surface, resulting in preferential condensation of a given isotope that depends on the energy of the incident beam. Both of these isotope separation techniques are made possible by the narrow velocity distribution and velocity seeding effect offered only by high-Mach number supersonic beam sources. These experiments underscore the utility of supersonically expanded atomic and molecular beam sources as both extraordinarily precise probes of surface structure and dynamics and as a means for high-throughput, non-dissociative isotopic enrichment methods.

Microscopic modeling of gas-surface scattering: II. Application to argon atom adsorption on a platinum (111) surface

NASA Astrophysics Data System (ADS)

Filinov, A.; Bonitz, M.; Loffhagen, D.

2018-06-01

A new combination of first principle molecular dynamics (MD) simulations with a rate equation model presented in the preceding paper (paper I) is applied to analyze in detail the scattering of argon atoms from a platinum (111) surface. The combined model is based on a classification of all atom trajectories according to their energies into trapped, quasi-trapped and scattering states. The number of particles in each of the three classes obeys coupled rate equations. The coefficients in the rate equations are the transition probabilities between these states which are obtained from MD simulations. While these rates are generally time-dependent, after a characteristic time scale t E of several tens of picoseconds they become stationary allowing for a rather simple analysis. Here, we investigate this time scale by analyzing in detail the temporal evolution of the energy distribution functions of the adsorbate atoms. We separately study the energy loss distribution function of the atoms and the distribution function of in-plane and perpendicular energy components. Further, we compute the sticking probability of argon atoms as a function of incident energy, angle and lattice temperature. Our model is important for plasma-surface modeling as it allows to extend accurate simulations to longer time scales.

Wave-packet continuum-discretization approach to ion-atom collisions including rearrangement: Application to differential ionization in proton-hydrogen scattering

NASA Astrophysics Data System (ADS)

Abdurakhmanov, I. B.; Bailey, J. J.; Kadyrov, A. S.; Bray, I.

2018-03-01

In this work, we develop a wave-packet continuum-discretization approach to ion-atom collisions that includes rearrangement processes. The total scattering wave function is expanded using a two-center basis built from wave-packet pseudostates. The exact three-body Schrödinger equation is converted into coupled-channel differential equations for time-dependent expansion coefficients. In the asymptotic region these time-dependent coefficients represent transition amplitudes for all processes including elastic scattering, excitation, ionization, and electron capture. The wave-packet continuum-discretization approach is ideal for differential ionization studies as it allows one to generate pseudostates with arbitrary energies and distribution. The approach is used to calculate the double differential cross section for ionization in proton collisions with atomic hydrogen. Overall good agreement with experiment is obtained for all considered cases.

Born Hartree Bethe approximation in the theory of inelastic electron molecule scattering

NASA Astrophysics Data System (ADS)

Kretinin, I. Yu; Krisilov, A. V.; Zon, B. A.

2008-11-01

We propose a new approximation in the theory of inelastic electron atom and electron molecule scattering. Taking into account the completeness property of atomic and molecular wavefunctions, considered in the Hartree approximation, and using Bethe's parametrization for electronic excitations during inelastic collisions via the mean excitation energy, we show that the calculation of the inelastic total integral cross-sections (TICS), in the framework of the first Born approximation, involves only the ground-state wavefunction. The final analytical formula obtained for the TICS, i.e. for the sum of elastic and inelastic ones, contains no adjusting parameters. Calculated TICS for electron scattering by light atoms and molecules (He, Ne, and H2) are in good agreement within the experimental data; results show asymptotic coincidence for heavier ones (Ar, Kr, Xe and N2).

Quantifying adsorption-induced deformation of nanoporous materials on different length scales

PubMed Central

Morak, Roland; Braxmeier, Stephan; Ludescher, Lukas; Hüsing, Nicola; Reichenauer, Gudrung

2017-01-01

A new in situ setup combining small-angle neutron scattering (SANS) and dilatometry was used to measure water-adsorption-induced deformation of a monolithic silica sample with hierarchical porosity. The sample exhibits a disordered framework consisting of macropores and struts containing two-dimensional hexagonally ordered cylindrical mesopores. The use of an H2O/D2O water mixture with zero scattering length density as an adsorptive allows a quantitative determination of the pore lattice strain from the shift of the corresponding diffraction peak. This radial strut deformation is compared with the simultaneously measured macroscopic length change of the sample with dilatometry, and differences between the two quantities are discussed on the basis of the deformation mechanisms effective at the different length scales. It is demonstrated that the SANS data also provide a facile way to quantitatively determine the adsorption isotherm of the material by evaluating the incoherent scattering contribution of H2O at large scattering vectors. PMID:29021735

Feshbach spectroscopy and dual-species Bose-Einstein condensation of 23Na-39K mixtures

NASA Astrophysics Data System (ADS)

Schulze, Torben A.; Hartmann, Torsten; Voges, Kai K.; Gempel, Matthias W.; Tiemann, Eberhard; Zenesini, Alessandro; Ospelkaus, Silke

2018-02-01

We present measurements of interspecies Feshbach resonances and subsequent creation of dual-species Bose-Einstein condensates of 23Na and 39K. We prepare both optically trapped ensembles in the spin state |f =1 ,mf=-1 > and perform atom loss spectroscopy in a magnetic field range from 0 to 700 G . The observed features include several s -wave poles and a zero crossing of the interspecies scattering length as well as inelastic two-body contributions in the M =mNa+mK=-2 submanifold. We identify and discuss the suitability of different magnetic field regions for the purposes of sympathetic cooling of 39K and achieving dual-species degeneracy. Two condensates are created simultaneously by evaporation at a magnetic field of about 150 G , which provides sizable intra- and interspecies scattering rates needed for fast thermalization. The impact of the differential gravitational sag on the miscibility criterion for the mixture is discussed. Our results serve as a promising starting point for the magnetoassociation into quantum degenerate 23Na39K Feshbach molecules.

Systematic assignment of Feshbach resonances via an asymptotic bound state model

NASA Astrophysics Data System (ADS)

Goosen, Maikel; Kokkelmans, Servaas

2008-05-01

We present an Asymptotic Bound state Model (ABM), which is useful to predict Feshbach resonances. The model utilizes asymptotic properties of the interaction potentials to represent coupled molecular wavefunctions. The bound states of this system give rise to Feshbach resonances, localized at the magnetic fields of intersection of these bound states with the scattering threshold. This model was very successful to assign measured Feshbach resonances in an ultra cold mixture of ^6Li and ^40K atomsootnotetextE. Wille, F.M. Spiegelhalder, G. Kerner, D. Naik, A. Trenkwalder, G. Hendl, F. Schreck, R. Grimm, T.G. Tiecke, J.T.M. Walraven, S.J.J.M.F. Kokkelmans, E. Tiesinga, P.S. Julienne, arXiv:0711.2916. For this system, the accuracy of the determined scattering lengths is comparable to full coupled channels results. However, it was not possible to predict the width of the resonances. We discuss how an incorporation of threshold effects will improve the model, and we apply it to a mixture of ^87Rb and ^133Cs atoms, where recently Feshbach resonances have been measured.

Three-Dimensional Morphology Control Yielding Enhanced Hole Mobility in Air-Processed Organic Photovoltaics: Demonstration with Grazing-Incidence Wide-Angle X-ray Scattering

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

Moore, Levi M. J.; Bhattacharya, Mithun; Wu, Qi

Polymer organic photovoltaic (OPV) device performance is defined by the three-dimensional morphology of the phase-separated domains in the active layer. Here, we determine the evolution of morphology through different stages of tailored solvent vapor and thermal annealing techniques in air-processed poly(3-hexylthiophene-2,5-diyl)/phenyl-C61-butyric acid methyl ester-based OPV blends. A comparative evaluation of the effect of solvent type used for vapor annealing was performed using grazing-incidence wide-angle X-ray scattering, atomic force microscopy, and UV–vis spectroscopy to probe the active-layer morphology. A nonhalogenated orthogonal solvent was found to impart controlled morphological features within the exciton diffusion length scales, enhanced absorbance, greater crystallinity, increased paracrystallinemore » disorder, and improved charge-carrier mobility. Low-boiling, fast-diffusing isopropanol allowed the greatest control over the nanoscale structure of the solvents evaluated and yielded a cocontinuous morphology with narrowed domains and enhanced paths for the charge carrier to reach the anode.« less

Energy-loss- and thickness-dependent contrast in atomic-scale electron energy-loss spectroscopy

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

Tan, Haiyan; Zhu, Ye; Dwyer, Christian

2014-12-31

Atomic-scale elemental maps of materials acquired by core-loss inelastic electron scattering often exhibit an undesirable sensitivity to the unavoidable elastic scattering, making the maps counter-intuitive to interpret. Here, we present a systematic study that scrutinizes the energy-loss and sample-thickness dependence of atomic-scale elemental maps acquired using 100 keV incident electrons in a scanning transmission electron microscope. For single-crystal silicon, the balance between elastic and inelastic scattering means that maps generated from the near-threshold Si-L signal (energy loss of 99 eV) show no discernible contrast for a thickness of 0.5λ (λ is the electron mean-free path, here approximately 110 nm). Atmore » greater thicknesses we observe a counter-intuitive “negative” contrast. Only at much higher energy losses is an intuitive “positive” contrast gradually restored. Our quantitative analysis shows that the energy-loss at which a positive contrast is restored depends linearly on the sample thickness. This behavior is in very good agreement with our double-channeling inelastic scattering calculations. We test a recently-proposed experimental method to correct the core-loss inelastic scattering and restore an intuitive “positive” chemical contrast. The method is demonstrated to be reliable over a large range of energy losses and sample thicknesses. The corrected contrast for near-threshold maps is demonstrated to be (desirably) inversely proportional to sample thickness. As a result, implications for the interpretation of atomic-scale elemental maps are discussed.« less

RAMAN SCATTERED He II {lambda}4332 IN THE SYMBIOTIC STAR V1016 CYGNI

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

Lee, Hee-Won

Raman scattering of He II line photons with atomic hydrogen is important in studying the mass loss processes in many symbiotic stars and a number of young planetary nebulae. We calculate the scattering cross sections and branching ratios associated with the Raman scattered He II {lambda}4332 feature formed through inelastic scattering of He II {lambda}949 with a hydrogen atom. At the line center of He II {lambda}949, the total scattering cross section is computed to be {sigma}{sub tot} = 2.5 Multiplication-Sign 10{sup -22} cm{sup 2}, and the branching ratio into the level 2s is 0.12. We also present a high-resolutionmore » spectrum of the symbiotic star V1016 Cygni obtained with the 1.8 m telescope at Mt. Bohyun to investigate the Raman scattering origin of the broad feature blueward of He II {lambda}4338. Based on the atomic calculation, we perform Monte Carlo calculations for the line formation. The scattering region is assumed to be a part of a uniform spherical shell that subtends a solid angle {Delta}{Omega} = {pi} steradian with a neutral column density N{sub HI} = 1.0 x 10{sup 21} cm{sup -2}. By adding a far-UV continuum around He II {lambda}949 normalized by the equivalent width of He II {lambda}949 to be 2.3 Angstrom-Sign , we obtain a good fit for both the Raman scattered He II {lambda}4332 and the broad wings around H{gamma}. Our analysis of the Raman feature blueward of H{gamma} in V1016 Cyg is consistent with the previous study of the Raman features blueward of H{alpha} and H{beta} by Jung and Lee.« less

Quantum Analogies in the Interaction between Acoustic Waves and Bubble Clouds

NASA Astrophysics Data System (ADS)

Parrales, Miguel A.; Rodriguez-Rodriguez, Javier

2014-11-01

Analogies between quantum mechanical and acoustical propagation phenomena have a great interest in academic research due to their ability to shed light on some complex quantum effects, which are impossible to visualize directly in the macroscopic world. In this talk, we describe a number of these analogies concerning the acoustic behavior of bubble clouds. Firstly, we show that the structure of the collective oscillation modes of a spherical bubble cloud resembles that of the atomic orbitals of a hydrogen atom. Secondly, we present an analogy between some perturbation methods used in quantum-electrodynamics and the computation of the acoustic response of the randomly distributed bubble cloud by considering the contribution to the total scattered pressure of the multiple scattering paths that take place inside the clouds. As an application of this analogy, we obtain the scattering cross-section of a diluted cloud, which remarkably mimics the quantum scattering of an neutron wave when passing through an atomic nucleus. Finally, we numerically reproduce the behavior of an electron in a covalent bond between two hydrogen atoms by simulating the acoustic wave propagation through two neighboring spherical bubble assemblages. Funded by the Spanish Ministry of Economy and Competitiveness through Grants DPI2011-28356-C03-01 and DPI2011-28356-C03-02.

Surface Electrochemistry of Metals

DTIC Science & Technology

1993-04-30

maxima along the 12 directions of open channels .vhich are also the interatomic directions). Elastic scattering angular distributions always contain... scatterer geometric relationships for such samples. Distributions from ordered atomic bilayers reveal that the Auger signal from the underlayer is attenuated...are developing a theoretical model and computational code which include both elastic scattering and inhomogeneous inelastic scattering . We seek

Quantitative impact of small angle forward scatter on whole blood oximetry using a Beer-Lambert absorbance model.

PubMed

LeBlanc, Serge Emile; Atanya, Monica; Burns, Kevin; Munger, Rejean

2011-04-21

It is well known that red blood cell scattering has an impact on whole blood oximetry as well as in vivo retinal oxygen saturation measurements. The goal of this study was to quantify the impact of small angle forward scatter on whole blood oximetry for scattering angles found in retinal oximetry light paths. Transmittance spectra of whole blood were measured in two different experimental setups: one that included small angle scatter in the transmitted signal and one that measured the transmitted signal only, at absorbance path lengths of 25, 50, 100, 250 and 500 µm. Oxygen saturation was determined by multiple linear regression in the 520-600 nm wavelength range and compared between path lengths and experimental setups. Mean calculated oxygen saturation differences between setups were greater than 10% at every absorbance path length. The deviations to the Beer-Lambert absorbance model had different spectral dependences between experimental setups, with the highest deviations found in the 520-540 nm range when scatter was added to the transmitted signal. These results are consistent with other models of forward scatter that predict different spectral dependences of the red blood cell scattering cross-section and haemoglobin extinction coefficients in this wavelength range.

Cooperative scattering and radiation pressure force in dense atomic clouds

NASA Astrophysics Data System (ADS)

Bachelard, R.; Piovella, N.; Courteille, Ph. W.

2011-07-01

Atomic clouds prepared in “timed Dicke” states, i.e. states where the phase of the oscillating atomic dipole moments linearly varies along one direction of space, are efficient sources of superradiant light emission [Scully , Phys. Rev. Lett.PRLTAO0031-900710.1103/PhysRevLett.96.010501 96, 010501 (2006)]. Here, we show that, in contrast to previous assertions, timed Dicke states are not the states automatically generated by incident laser light. In reality, the atoms act back on the driving field because of the finite refraction of the cloud. This leads to nonuniform phase shifts, which, at higher optical densities, dramatically alter the cooperative scattering properties, as we show by explicit calculation of macroscopic observables, such as the radiation pressure force.

Rayleigh scattering of linear alkylbenzene in large liquid scintillator detectors

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

Zhou, Xiang, E-mail: xiangzhou@whu.edu.cn; Zhang, Zhenyu; Liu, Qian

2015-07-15

Rayleigh scattering poses an intrinsic limit for the transparency of organic liquid scintillators. This work focuses on the Rayleigh scattering length of linear alkylbenzene (LAB), which will be used as the solvent of the liquid scintillator in the central detector of the Jiangmen Underground Neutrino Observatory. We investigate the anisotropy of the Rayleigh scattering in LAB, showing that the resulting Rayleigh scattering length will be significantly shorter than reported before. Given the same overall light attenuation, this will result in a more efficient transmission of photons through the scintillator, increasing the amount of light collected by the photosensors and therebymore » the energy resolution of the detector.« less

Ionisation of atomic hydrogen by positron impact

NASA Technical Reports Server (NTRS)

Spicher, Gottfried; Olsson, Bjorn; Raith, Wilhelm; Sinapius, Guenther; Sperber, Wolfgang

1990-01-01

With the crossed beam apparatus the relative impact-ionization cross section of atomic hydrogen by positron impact was measured. A layout of the scattering region is given. The first measurements on the ionization of atomic hydrogen by positron impact are also given.

Analytical fitting model for rough-surface BRDF.

PubMed

Renhorn, Ingmar G E; Boreman, Glenn D

2008-08-18

A physics-based model is developed for rough surface BRDF, taking into account angles of incidence and scattering, effective index, surface autocovariance, and correlation length. Shadowing is introduced on surface correlation length and reflectance. Separate terms are included for surface scatter, bulk scatter and retroreflection. Using the FindFit function in Mathematica, the functional form is fitted to BRDF measurements over a wide range of incident angles. The model has fourteen fitting parameters; once these are fixed, the model accurately describes scattering data over two orders of magnitude in BRDF without further adjustment. The resulting analytical model is convenient for numerical computations.

The Scales of Time, Length, Mass, Energy, and Other Fundamental Physical Quantities in the Atomic World and the Use of Atomic Units in Quantum Mechanical Calculations

ERIC Educational Resources Information Center

Teo, Boon K.; Li, Wai-Kee

2011-01-01

This article is divided into two parts. In the first part, the atomic unit (au) system is introduced and the scales of time, space (length), and speed, as well as those of mass and energy, in the atomic world are discussed. In the second part, the utility of atomic units in quantum mechanical and spectroscopic calculations is illustrated with…

Localization and orientation of heavy-atom cluster compounds in protein crystals using molecular replacement

PubMed Central

Dahms, Sven O.; Kuester, Miriam; Streb, Carsten; Roth, Christian; Sträter, Norbert; Than, Manuel E.

2013-01-01

Heavy-atom clusters (HA clusters) containing a large number of specifically arranged electron-dense scatterers are especially useful for experimental phase determination of large complex structures, weakly diffracting crystals or structures with large unit cells. Often, the determination of the exact orientation of the HA cluster and hence of the individual heavy-atom positions proves to be the critical step in successful phasing and subsequent structure solution. Here, it is demonstrated that molecular replacement (MR) with either anomalous or isomorphous differences is a useful strategy for the correct placement of HA cluster compounds. The polyoxometallate cluster hexasodium α-metatungstate (HMT) was applied in phasing the structure of death receptor 6. Even though the HA cluster is bound in alternate partially occupied orientations and is located at a special position, its correct localization and orientation could be determined at resolutions as low as 4.9 Å. The broad applicability of this approach was demonstrated for five different derivative crystals that included the compounds tantalum tetradeca­bromide and trisodium phosphotungstate in addition to HMT. The correct placement of the HA cluster depends on the length of the intramolecular vectors chosen for MR, such that both a larger cluster size and the optimal choice of the wavelength used for anomalous data collection strongly affect the outcome. PMID:23385464

Identical spin rotation effect and electron spin waves in quantum gas of atomic hydrogen

NASA Astrophysics Data System (ADS)

Lehtonen, L.; Vainio, O.; Ahokas, J.; Järvinen, J.; Novotny, S.; Sheludyakov, S.; Suominen, K.-A.; Vasiliev, S.; Khmelenko, V. V.; Lee, D. M.

2018-05-01

We present an experimental study of electron spin waves in atomic hydrogen gas compressed to high densities of ∼5 × 1018 cm‑3 at temperatures ranging from 0.26 to 0.6 K in the strong magnetic field of 4.6 T. Hydrogen gas is in a quantum regime when the thermal de-Broglie wavelength is much larger than the s-wave scattering length. In this regime the identical particle effects play a major role in atomic collisions and lead to the identical spin rotation effect (ISR). We observed a variety of spin wave modes caused by this effect with strong dependence on the magnetic potential caused by variations of the polarizing magnetic field. We demonstrate confinement of the ISR modes in the magnetic potential and manipulate their properties by changing the spatial profile of the magnetic field. We have found that at a high enough density of H gas the magnons accumulate in their ground state in the magnetic trap and exhibit long coherence, which has a profound effect on the electron spin resonance spectra. Such macroscopic accumulation of the ground state occurs at a certain critical density of hydrogen gas, where the chemical potential of the magnons becomes equal to the energy of their ground state in the trapping potential.

Universal scaling in the aging of the strong glass former SiO{sub 2}

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

Vollmayr-Lee, Katharina, E-mail: kvollmay@bucknell.edu; Gorman, Christopher H.; Castillo, Horacio E.

We show that the aging dynamics of a strong glass former displays a strikingly simple scaling behavior, connecting the average dynamics with its fluctuations, namely, the dynamical heterogeneities. We perform molecular dynamics simulations of SiO{sub 2} with van Beest-Kramer-van Santen interactions, quenching the system from high to low temperature, and study the evolution of the system as a function of the waiting time t{sub w} measured from the instant of the quench. We find that both the aging behavior of the dynamic susceptibility χ{sub 4} and the aging behavior of the probability distribution P(f{sub s,r}) of the local incoherent intermediatemore » scattering function f{sub s,r} can be described by simple scaling forms in terms of the global incoherent intermediate scattering function C. The scaling forms are the same that have been found to describe the aging of several fragile glass formers and that, in the case of P(f{sub s,r}), have been also predicted theoretically. A thorough study of the length scales involved highlights the importance of intermediate length scales. We also analyze directly the scaling dependence on particle type and on wavevector q and find that both the average and the fluctuations of the slow aging dynamics are controlled by a unique aging clock, which is not only independent of the wavevector q, but is also the same for O and Si atoms.« less

Means and method for calibrating a photon detector utilizing electron-photon coincidence

NASA Technical Reports Server (NTRS)

Srivastava, S. K. (Inventor)

1984-01-01

An arrangement for calibrating a photon detector particularly applicable for the ultraviolet and vacuum ultraviolet regions is based on electron photon coincidence utilizing crossed electron beam atom beam collisions. Atoms are excited by electrons which lose a known amount of energy and scatter with a known remaining energy, while the excited atoms emit photons of known radiation. Electrons of the known remaining energy are separated from other electrons and are counted. Photons emitted in a direction related to the particular direction of scattered electrons are detected to serve as a standard. Each of the electrons is used to initiate the measurements of a time interval which terminates with the arrival of a photon exciting the photon detector. Only the number of time intervals related to the coincidence correlation and of electrons scattered in the particular direction with the known remaining energy and photons of a particular radiation level emitted due to the collisions of such scattered electrons are counted. The detector calibration is related to the number of counted electrons and photons.

Stretching single atom contacts at multiple subatomic step-length.

PubMed

Wei, Yi-Min; Liang, Jing-Hong; Chen, Zhao-Bin; Zhou, Xiao-Shun; Mao, Bing-Wei; Oviedo, Oscar A; Leiva, Ezequiel P M

2013-08-14

This work describes jump-to-contact STM-break junction experiments leading to novel statistical distribution of last-step length associated with conductance of a single atom contact. Last-step length histograms are observed with up to five for Fe and three for Cu peaks at integral multiples close to 0.075 nm, a subatomic distance. A model is proposed in terms of gliding from a fcc hollow-site to a hcp hollow-site of adjacent atomic planes at 1/3 regular layer spacing along with tip stretching to account for the multiple subatomic step-length behavior.

Fine tuning the ionic liquid-vacuum outer atomic surface using ion mixtures.

PubMed

Villar-Garcia, Ignacio J; Fearn, Sarah; Ismail, Nur L; McIntosh, Alastair J S; Lovelock, Kevin R J

2015-03-28

Ionic liquid-vacuum outer atomic surfaces can be created that are remarkably different from the bulk composition. In this communication we demonstrate, using low-energy ion scattering (LEIS), that for ionic liquid mixtures the outer atomic surface shows significantly more atoms from anions with weaker cation-anion interactions (and vice versa).

The Momentum Distribution of Liquid ⁴He

DOE PAGES

Prisk, T. R.; Bryan, M. S.; Sokol, P. E.; ...

2017-07-24

We report a high-resolution neutron Compton scattering study of liquid ⁴He under milli-Kelvin temperature control. To interpret the scattering data, we performed Quantum Monte Carlo calculations of the atomic momentum distribution and final state effects for the conditions of temperature and density considered in the experiment. There is excellent agreement between the observed scattering and ab initio calculations of its lineshape at all temperatures. We also used model fit functions to obtain from the scattering data empirical estimates of the average atomic kinetic energy and Bose condensate fraction. These quantities are also in excellent agreement with ab initio calculations. Wemore » conclude that contemporary Quantum Monte Carlo methods can furnish accurate predictions for the properties of Bose liquids, including the condensate fraction, close to the superfluid transition temperature.« less

Quantum Enhancement of the Index of Refraction in a Bose-Einstein Condensate.

PubMed

Bons, P C; de Haas, R; de Jong, D; Groot, A; van der Straten, P

2016-04-29

We study the index of refraction of an ultracold bosonic gas in the dilute regime. Using phase-contrast imaging with light detuned from resonance by several tens of linewidths, we image a single cloud of ultracold atoms for 100 consecutive shots, which enables the study of the scattering rate as a function of temperature and density using only a single cloud. We observe that the scattering rate is increased below the critical temperature for Bose-Einstein condensation by a factor of 3 compared to the single-atom scattering rate. We show that current atom-light interaction models to second order of the density show a similar increase, where the magnitude of the effect depends on the model that is used to calculate the pair-correlation function. This confirms that the effect of quantum statistics on the index of refraction is dominant in this regime.

Two-body loss rates for reactive collisions of cold atoms

NASA Astrophysics Data System (ADS)

Cop, C.; Walser, R.

2018-01-01

We present an effective two-channel model for reactive collisions of cold atoms. It augments elastic molecular channels with an irreversible, inelastic loss channel. Scattering is studied with the distorted-wave Born approximation and yields general expressions for angular momentum resolved cross sections as well as two-body loss rates. Explicit expressions are obtained for piecewise constant potentials. A pole expansion reveals simple universal shape functions for cross sections and two-body loss rates in agreement with the Wigner threshold laws. This is applied to collisions of metastable 20Ne and 21Ne atoms, which decay primarily through exothermic Penning or associative ionization processes. From a numerical solution of the multichannel Schrödinger equation using the best currently available molecular potentials, we have obtained synthetic scattering data. Using the two-body loss shape functions derived in this paper, we can match these scattering data very well.

The atomic scale structure of CXV carbon: wide-angle x-ray scattering and modeling studies.

PubMed

Hawelek, L; Brodka, A; Dore, J C; Honkimaki, V; Burian, A

2013-11-13

The disordered structure of commercially available CXV activated carbon produced from finely powdered wood-based carbon has been studied using the wide-angle x-ray scattering technique, molecular dynamics and density functional theory simulations. The x-ray scattering data has been converted to the real space representation in the form of the pair correlation function via the Fourier transform. Geometry optimizations using classical molecular dynamics based on the reactive empirical bond order potential and density functional theory at the B3LYP/6-31g* level have been performed to generate nanoscale models of CXV carbon consistent with the experimental data. The final model of the structure comprises four chain-like and buckled graphitic layers containing a small percentage of four-fold coordinated atoms (sp(3) defects) in each layer. The presence of non-hexagonal rings in the atomic arrangement has been also considered.

Carrier Injection and Scattering in Atomically Thin Chalcogenides

NASA Astrophysics Data System (ADS)

Li, Song-Lin; Tsukagoshi, Kazuhito

2015-12-01

Atomically thin two-dimensional chalcogenides such as MoS2 monolayers are structurally ideal channel materials for the ultimate atomic electronics. However, a heavy thickness dependence of electrical performance is shown in these ultrathin materials, and the device performance normally degrades while exhibiting a low carrier mobility as compared with corresponding bulks, constituting a main hurdle for application in electronics. In this brief review, we summarize our recent work on electrode/channel contacts and carrier scattering mechanisms to address the origins of this adverse thickness dependence. Extrinsically, the Schottky barrier height increases at the electrode/channel contact area in thin channels owing to bandgap expansion caused by quantum confinement, which hinders carrier injection and degrades device performance. Intrinsically, thin channels tend to suffer from intensified Coulomb impurity scattering, resulting from the reduced interaction distance between interfacial impurities and channel carriers. Both factors are responsible for the adverse dependence of carrier mobility on channel thickness in two-dimensional semiconductors.

Application of the Finite Element Method in Atomic and Molecular Physics

NASA Technical Reports Server (NTRS)

Shertzer, Janine

2007-01-01

The finite element method (FEM) is a numerical algorithm for solving second order differential equations. It has been successfully used to solve many problems in atomic and molecular physics, including bound state and scattering calculations. To illustrate the diversity of the method, we present here details of two applications. First, we calculate the non-adiabatic dipole polarizability of Hi by directly solving the first and second order equations of perturbation theory with FEM. In the second application, we calculate the scattering amplitude for e-H scattering (without partial wave analysis) by reducing the Schrodinger equation to set of integro-differential equations, which are then solved with FEM.

Collective emission of matter-wave jets from driven Bose-Einstein condensates.

PubMed

Clark, Logan W; Gaj, Anita; Feng, Lei; Chin, Cheng

2017-11-16

Scattering is used to probe matter and its interactions in all areas of physics. In ultracold atomic gases, control over pairwise interactions enables us to investigate scattering in quantum many-body systems. Previous experiments on colliding Bose-Einstein condensates have revealed matter-wave interference, haloes of scattered atoms, four-wave mixing and correlations between counter-propagating pairs. However, a regime with strong stimulation of spontaneous collisions analogous to superradiance has proved elusive. In this regime, the collisions rapidly produce highly correlated states with macroscopic population. Here we find that runaway stimulated collisions in Bose-Einstein condensates with periodically modulated interaction strength cause the collective emission of matter-wave jets that resemble fireworks. Jets appear only above a threshold modulation amplitude and their correlations are invariant even when the number of ejected atoms grows exponentially. Hence, we show that the structures and atom occupancies of the jets stem from the quantum fluctuations of the condensate. Our findings demonstrate the conditions required for runaway stimulated collisions and reveal the quantum nature of matter-wave emission.

Quantitative characterization of the atomic-scale structure of oxyhydroxides in rusts formed on steel surfaces

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

Saito, M.; Suzuki, S.; Kimura, M.

Quantitative X-ray structural analysis coupled with anomalous X-ray scattering has been used for characterizing the atomic-scale structure of rust formed on steel surfaces. Samples were prepared from rust layers formed on the surfaces of two commercial steels. X-ray scattered intensity profiles of the two samples showed that the rusts consisted mainly of two types of ferric oxyhydroxide, {alpha}-FeOOH and {gamma}-FeOOH. The amounts of these rust components and the realistic atomic arrangements in the components were estimated by fitting both the ordinary and the environmental interference functions with a model structure calculated using the reverse Monte Carlo simulation technique. The twomore » rust components were found to be the network structure formed by FeO{sub 6} octahedral units, the network structure itself deviating from the ideal case. The present results also suggest that the structural analysis method using anomalous X-ray scattering and the reverse Monte Carlo technique is very successful in determining the atomic-scale structure of rusts formed on the steel surfaces.« less

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

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

McEachern, R.L.; Goodstein, D.M.; Cooper, B.H.

1989-05-15

Trajectories of Na{sup +} ions scattered from the Cu(110) surface in the <1 1bar 0> and <001> azimuths were studied for a range of incident energies from 56 eV to 4 keV. The goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, simulations were performed with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with the data. Ionmore » trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion-surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1 1bar 0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

Trajectory analysis of low-energy and hyperthermal ions scattered from Cu(110)

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

McEachern, R. L.; Goodstein, D. M.; Cooper, B. H.

1989-05-15

We have investigated the trajectories of Na/sup +/ ions scattered from the Cu(110) surface in the <1/bar 1/0> and <001> azimuths for a range of incident energies from 56 eV to 4 keV. Our goal is to explain the trends observed in the energy spectra and determine what types of trajectories contribute to these spectra. Using the computer program SAFARI, we have performed simulations with trajectory analyses for 100-, 200-, and 400-eV scattering. We show results from the 100-eV simulations in both azimuths and compare them with the experimental data. The simulated energy spectra are in excellent agreement with themore » data. Ion trajectories and impact parameter plots from the simulations are used to determine the relative importance of different types of ion--surface-atom collisions. The simulations have shown that the striking differences observed in comparing the <1/bar 1/0> and <001> spectra are mostly due to ions which scatter from second-layer atoms. This system exhibits strong focusing onto the second-layer atoms by the first-layer rows, and the focusing is very sensitive to the spacing between the rows. At the lower beam energies, scattering from the second layer dominates the measured spectra.« less

Rayleigh scattering of x-ray and γ-ray by 1s and 2s electrons in ions and neutral atoms

NASA Astrophysics Data System (ADS)

Costescu, A.; Karim, K.; Moldovan, M.; Spanulescu, S.; Stoica, C.

2011-02-01

Using the Coulomb-Green function method and considering the nonrelativistic limit for the two-photon S-matrix element, the right nonrelativistic 2s Rayleigh scattering amplitudes are obtained. Our result takes into account all multipoles, retardation and relativistic kinematics contributions, and the old dipole approximation result of Costescu [1] is retrieved as a limit case. The total photoeffect cross-section which is related to the imaginary part of the Rayleigh forward scattering amplitude through the optical theorem is also obtained. Our Coulombian formulae are used in the more realistic case of elastic scattering of photons by bound 1s and 2s electrons in ions and neutral atoms. Screening effects are considered in the independent particle approximation through the Hartree-Fock method. The effective charge Zeff is obtained by fitting the Hartree-Fock charge distribution by a Coulombian one. Good agreement (within 10%) is found when comparing the numerical predictions given by our nonrelativistic formulae with the full relativistic numerical results of Kissel [2] in the case of elastic scattering of photons by 1s and 2s electrons and Scofield [3] in the case of K-shell and 2s subshell photoionization for neutral atoms with 18 <= Z <= 92 and photon energies ω <= αZm.

Length-dependent structural stability of linear monatomic Cu wires

NASA Astrophysics Data System (ADS)

Singh, Gurvinder; Kumar, Krishan; Singh, Baljinder; Moudgil, R. K.

2018-05-01

We present first-principle calculations based on density functional theory for the finite-length monatomic Cu atom linear wires. The structure and its stability with increasing wire length in terms of number of atoms (N) is determined. Interestingly, the bond length is found to exhibit an oscillatory structure (the so-called magic length phenomenon), with a qualitative change in oscillatory behavior as one moves from even N wire to odd N wire. The even N wires follow simple even-odd oscillations whereas odd N wires show a phase change at the half length of the wires. The stability of the wire structure, determined in terms of the wire formation energy, also contains even-odd oscillation as a function of wire length. However, the oscillations in formation energy reverse its phase after the wire length is increased beyond N=12. Our findings are seen to be qualitatively consistent with recent simulations for a similar class finite-length metal atom wires.

Modeling inelastic phonon scattering in atomic- and molecular-wire junctions

NASA Astrophysics Data System (ADS)

Paulsson, Magnus; Frederiksen, Thomas; Brandbyge, Mads

2005-11-01

Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the nonequilibrium Green’s function method. The accuracy is demonstrated with a first-principles calculation on an atomic gold wire. Quantitative agreement between the full nonequilibrium Green’s function calculation and the newly derived expressions is obtained while simplifying the computational burden by several orders of magnitude. In addition, analytical models provide intuitive understanding of the conductance including nonequilibrium heating and provide a convenient way of parameterizing the physics. This is exemplified by fitting the expressions to the experimentally observed conductances through both an atomic gold wire and a hydrogen molecule.

Experimental studies of electron impact depopulation of excited states of atoms: applications to laser development for fusion and isotope separation. Final report, 1 January 1977-30 June 1979

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

Lubell, M.S.

1980-06-01

Motivated by the need for measurements of metastable depopulation mechanisms of Ar and Kr in the KrF rare-gas monohalide excimer laser, an ultra-high vacuum triple crossed-beams apparatus has been designed, fabricated, and assembled for the purpose of studying electron scattering from excited states of Ar and Kr atoms. A beam of metastable rare gas atoms, produced by near-resonant charge transfer of rare gas ions with alkali neutral atoms, is crossed by an electron beam and a far-red laser beam along mutually orthogonal axes. A hemispherical electron monochromator-spectrometer pair is used to measure the cross section for electron scattering from themore » 2p/sub 9/ excited state of the rare gas atom. Testing of parts of the assembled apparatus has been completed.« less

Quantum treatment of the capture of an atom by a fast nucleus incident on a molecule

NASA Astrophysics Data System (ADS)

Shakeshaft, Robin; Spruch, Larry

1980-04-01

The classical double-scattering model of Thomas for the capture of electrons from atoms by fast ions yields a cross section σ which dominates over the single scattering contribution for sufficiently fast ions. The magnitude of the classical double-scattering σ differs, however, from its quantum-mechanical (second-Born) analog by an order of magnitude. Further, a "fast ion" means an ion of some MeV, and at those energies the cross sections are very low. On the other hand, as noted by Bates, Cook, and Smith, the double-scattering cross section for the capture of atoms from molecules by fast ions dominates over the single-scattering contribution for incident ions of very much lower energy; roughly, one must have the velocity of the incident projectile much larger than a characteristic internal velocity of the particles in the target. It follows that we are in the asymptotic domain not at about 10 MeV but at about 100 eV. For the reaction H+ + CH4-->H+2 + CH3 with incident proton energies of 70 to 150 eV, the peak in the angular distribution as determined experimentally is at almost precisely the value predicted by the classical model, but the theoretical total cross section is about 30 times too large. Using a quantum version of the classical model, which involves the same kinematics and therefore preserves the agreement with the angular distribution, we obtain somewhat better agreement with the experimental total cross section, by a factor of about 5. (To obtain very good agreement, one may have to perform a really accurate calculation of large-angle elastic scattering of protons and H atoms by CH3, and take into account interference effects.) In the center-of-mass frame, for sufficiently high incident energy, the first of the two scatterings involves the scattering of H+ by H through an angle of very close to 90°, and it follows that the nuclei of the emergent H+2 ion will almost all be in the singlet state. We have also calculated the cross section for the reaction D+ + CH4-->(HD)+ + CH3.

LDEF microenvironments, observed and predicted

NASA Astrophysics Data System (ADS)

Bourassa, R. J.; Pippin, H. G.; Gillis, J. R.

1993-04-01

A computer model for prediction of atomic oxygen exposure of spacecraft in low earth orbit, referred to as the primary atomic oxygen model, was originally described at the First Long Duration Exposure Facility (LDEF) Post-Retrieval Symposium. The primary atomic oxygen model accounts for variations in orbit parameters, the condition of the atmosphere, and for the orientation of exposed surfaces relative to the direction of spacecraft motion. The use of the primary atomic oxygen model to define average atomic oxygen exposure conditions for a spacecraft is discussed and a second microenvironments computer model is described that accounts for shadowing and scattering of atomic oxygen by complex surface protrusions and indentations. Comparisons of observed and predicted erosion of fluorinated ethylene propylene (FEP) thermal control blankets using the models are presented. Experimental and theoretical results are in excellent agreement. Work is in progress to expand modeling capability to include ultraviolet radiation exposure and to obtain more detailed information on reflecting and scattering characteristics of material surfaces.

LDEF microenvironments, observed and predicted

NASA Technical Reports Server (NTRS)

Bourassa, R. J.; Pippin, H. G.; Gillis, J. R.

1993-01-01

A computer model for prediction of atomic oxygen exposure of spacecraft in low earth orbit, referred to as the primary atomic oxygen model, was originally described at the First Long Duration Exposure Facility (LDEF) Post-Retrieval Symposium. The primary atomic oxygen model accounts for variations in orbit parameters, the condition of the atmosphere, and for the orientation of exposed surfaces relative to the direction of spacecraft motion. The use of the primary atomic oxygen model to define average atomic oxygen exposure conditions for a spacecraft is discussed and a second microenvironments computer model is described that accounts for shadowing and scattering of atomic oxygen by complex surface protrusions and indentations. Comparisons of observed and predicted erosion of fluorinated ethylene propylene (FEP) thermal control blankets using the models are presented. Experimental and theoretical results are in excellent agreement. Work is in progress to expand modeling capability to include ultraviolet radiation exposure and to obtain more detailed information on reflecting and scattering characteristics of material surfaces.

Transmission of light in deep sea water at the site of the ANTARES neutrino telescope

NASA Astrophysics Data System (ADS)

ANTARES Collaboration; Aguilar, J. A.; Albert, A.; Amram, P.; Anghinolfi, M.; Anton, G.; Anvar, S.; Ardellier-Desages, F. E.; Aslanides, E.; Aubert, J.-J.; Azoulay, R.; Bailey, D.; Basa, S.; Battaglieri, M.; Becherini, Y.; Bellotti, R.; Beltramelli, J.; Bertin, V.; Billault, M.; Blaes, R.; Blanc, F.; Bland, R. W.; de Botton, N.; Boulesteix, J.; Bouwhuis, M. C.; Brooks, C. B.; Bradbury, S. M.; Bruijn, R.; Brunner, J.; Bugeon, F.; Burgio, G. F.; Cafagna, F.; Calzas, A.; Caponetto, L.; Carmona, E.; Carr, J.; Cartwright, S. L.; Cecchini, S.; Charvis, P.; Circella, M.; Colnard, C.; Compère, C.; Croquette, J.; Cooper, S.; Coyle, P.; Cuneo, S.; Damy, G.; van Dantzig, R.; Deschamps, A.; de Marzo, C.; Destelle, J.-J.; de Vita, R.; Dinkelspiler, B.; Dispau, G.; Drougou, J.-F.; Druillole, F.; Engelen, J.; Favard, S.; Feinstein, F.; Ferry, S.; Festy, D.; Fopma, J.; Fuda, J.-L.; Gallone, J.-M.; Giacomelli, G.; Girard, N.; Goret, P.; Gournay, J.-F.; Hallewell, G.; Hartmann, B.; Heijboer, A.; Hello, Y.; Hernández-Rey, J. J.; Herrouin, G.; Hößl, J.; Hoffmann, C.; Hubbard, J. R.; Jaquet, M.; de Jong, M.; Jouvenot, F.; Kappes, A.; Karg, T.; Karkar, S.; Karolak, M.; Katz, U.; Keller, P.; Kooijman, P.; Korolkova, E. V.; Kouchner, A.; Kretschmer, W.; Kudryavtsev, V. A.; Lafoux, H.; Lagier, P.; Lamare, P.; Languillat, J.-C.; Laubier, L.; Legou, T.; Le Guen, Y.; Le Provost, H.; Le van Suu, A.; Lo Nigro, L.; Lo Presti, D.; Loucatos, S.; Louis, F.; Lyashuk, V.; Magnier, P.; Marcelin, M.; Margiotta, A.; Maron, C.; Massol, A.; Mazéas, F.; Mazeau, B.; Mazure, A.; McMillan, J. E.; Michel, J.-L.; Millot, C.; Milovanovic, A.; Montanet, F.; Montaruli, T.; Morel, J.-P.; Moscoso, L.; Nezri, E.; Niess, V.; Nooren, G. J.; Ogden, P.; Olivetto, C.; Palanque-Delabrouille, N.; Payre, P.; Petta, C.; Pineau, J.-P.; Poinsignon, J.; Popa, V.; Potheau, R.; Pradier, T.; Racca, C.; Randazzo, N.; Real, D.; van Rens, B. A. P.; Réthoré, F.; Ripani, M.; Roca-Blay, V.; Romeyer, A.; Rollin, J.-F.; Romita, M.; Rose, H. J.; Rostovtsev, A.; Ruppi, M.; Russo, G. V.; Sacquin, Y.; Saouter, S.; Schuller, J.-P.; Schuster, W.; Sokalski, I.; Suvorova, O.; Spooner, N. J. C.; Spurio, M.; Stolarczyk, T.; Stubert, D.; Taiuti, M.; Thompson, L. F.; Tilav, S.; Usik, A.; Valdy, P.; Vallage, B.; Vaudaine, G.; Vernin, P.; Virieux, J.; Vladimirsky, E.; de Vries, G.; de Witt Huberts, P.; de Wolf, E.; Zaborov, D.; Zaccone, H.; Zakharov, V.; Zavatarelli, S.; de Zornoza, J. D.; Zúñiga, J.

2005-02-01

The ANTARES neutrino telescope is a large photomultiplier array designed to detect neutrino-induced upward-going muons by their Cherenkov radiation. Understanding the absorption and scattering of light in the deep Mediterranean is fundamental to optimising the design and performance of the detector. This paper presents measurements of blue and UV light transmission at the ANTARES site taken between 1997 and 2000. The derived values for the scattering length and the angular distribution of particulate scattering were found to be highly correlated, and results are therefore presented in terms of an absorption length λabs and an effective scattering length λscteff. The values for blue (UV) light are found to be λabs ≃ 60(26) m, λscteff≃265(122)m, with significant (˜15%) time variability. Finally, the results of ANTARES simulations showing the effect of these water properties on the anticipated performance of the detector are presented.

Effect of rattling motion without cage structure on lattice thermal conductivity in LaOBiS2-xSex

NASA Astrophysics Data System (ADS)

Lee, C. H.; Nishida, A.; Hasegawa, T.; Nishiate, H.; Kunioka, H.; Ohira-Kawamura, S.; Nakamura, M.; Nakajima, K.; Mizuguchi, Y.

2018-01-01

Low energy phonons in LaOBiS2-xSex are studied using inelastic neutron scattering. Dispersionless flat phonon branches that are mainly associated with a large vibration of Bi atoms are observed at a relatively low energy of E = 6-6.7 meV. The phonon energy softens upon Se doping presumably owing to its heavier atomic mass than the S atom and the expansion of the lattice constant. Simultaneously, the lattice thermal conductivity lowered upon Se doping as the same manner of the phonon softening. These suggest that despite the lack of an oversized cage in LaOBiS2-xSex, rattling motions of Bi atoms can scatter phonon like rattling in cage compounds, contributing to enhance the thermoelectric property.

Cations Modulate Actin Bundle Mechanics, Assembly Dynamics, and Structure.

PubMed

Castaneda, Nicholas; Zheng, Tianyu; Rivera-Jacquez, Hector J; Lee, Hyun-Ju; Hyun, Jaekyung; Balaeff, Alexander; Huo, Qun; Kang, Hyeran

2018-04-12

Actin bundles are key factors in the mechanical support and dynamic reorganization of the cytoskeleton. High concentrations of multivalent counterions promote bundle formation through electrostatic attraction between actin filaments that are negatively charged polyelectrolytes. In this study, we evaluate how physiologically relevant divalent cations affect the mechanical, dynamic, and structural properties of actin bundles. Using a combination of total internal reflection fluorescence microscopy, transmission electron microscopy, and dynamic light scattering, we demonstrate that divalent cations modulate bundle stiffness, length distribution, and lateral growth. Molecular dynamics simulations of an all-atom model of the actin bundle reveal specific actin residues coordinate cation-binding sites that promote the bundle formation. Our work suggests that specific cation interactions may play a fundamental role in the assembly, structure, and mechanical properties of actin bundles.

Scanning tunneling spectroscopy and vortex imaging in the iron pnictide superconductor BaFe1.8Co0.2As2.

PubMed

Yin, Yi; Zech, M; Williams, T L; Wang, X F; Wu, G; Chen, X H; Hoffman, J E

2009-03-06

We present an atomic resolution scanning tunneling spectroscopy study of superconducting BaFe1.8Co0.2As2 single crystals in magnetic fields up to 9 T. At zero field, a single gap with coherence peaks at Delta=6.25 meV is observed in the density of states. At 9 and 6 T, we image a disordered vortex lattice, consistent with isotropic, single flux quantum vortices. Vortex locations are uncorrelated with strong-scattering surface impurities, demonstrating bulk pinning. The vortex-induced subgap density of states fits an exponential decay from the vortex center, from which we extract a coherence length xi=27.6+/-2.9 A, corresponding to an upper critical field Hc2=43 T.

Internal dynamics of F-actin and myosin subfragment-1 studied by quasielastic neutron scattering

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

Matsuo, Tatsuhito; Arata, Toshiaki; Oda, Toshiro

2015-04-10

Various biological functions related to cell motility are driven by the interaction between the partner proteins, actin and myosin. To obtain insights into how this interaction occurs, the internal dynamics of F-actin and myosin subfragment-1 (S1) were characterized by the quasielastic neutron scattering measurements on the solution samples of F-actin and S1. Contributions of the internal motions of the proteins to the scattering spectra were separated from those of the global macromolecular diffusion. Analysis of the spectra arising from the internal dynamics showed that the correlation times of the atomic motions were about two times shorter for F-actin than formore » S1, suggesting that F-actin fluctuates more rapidly than S1. It was also shown that the fraction of the immobile atoms is larger for S1 than for F-actin. These results suggest that F-actin actively facilitates the binding of myosin by utilizing the more frequent conformational fluctuations than those of S1. - Highlights: • We studied the internal dynamics of F-actin and myosin S1 by neutron scattering. • The correlation times of the atomic motions were smaller for F-actin than for S1. • The fraction of the immobile atoms was also smaller for F-actin than for S1. • Our results suggest that mobility of atoms in F-actin is higher than that in S1. • We propose that high flexibility of F-actin facilitates the binding of myosin.« less

Average-atom treatment of relaxation time in x-ray Thomson scattering from warm dense matter.

PubMed

Johnson, W R; Nilsen, J

2016-03-01

The influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity and also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.

Average-atom treatment of relaxation time in x-ray Thomson scattering from warm dense matter

DOE PAGES

Johnson, W. R.; Nilsen, J.

2016-03-14

Here, the influence of finite relaxation times on Thomson scattering from warm dense plasmas is examined within the framework of the average-atom approximation. Presently most calculations use the collision-free Lindhard dielectric function to evaluate the free-electron contribution to the Thomson cross section. In this work, we use the Mermin dielectric function, which includes relaxation time explicitly. The relaxation time is evaluated by treating the average atom as an impurity in a uniform electron gas and depends critically on the transport cross section. The calculated relaxation rates agree well with values inferred from the Ziman formula for the static conductivity andmore » also with rates inferred from a fit to the frequency-dependent conductivity. Transport cross sections determined by the phase-shift analysis in the average-atom potential are compared with those evaluated in the commonly used Born approximation. The Born approximation converges to the exact cross sections at high energies; however, differences that occur at low energies lead to corresponding differences in relaxation rates. The relative importance of including relaxation time when modeling x-ray Thomson scattering spectra is examined by comparing calculations of the free-electron dynamic structure function for Thomson scattering using Lindhard and Mermin dielectric functions. Applications are given to warm dense Be plasmas, with temperatures ranging from 2 to 32 eV and densities ranging from 2 to 64 g/cc.« less

Brillouin Scattering of Picosecond Laser Pulses in Preformed, Short-Scale-Length Plasmas

NASA Astrophysics Data System (ADS)

Gaeris, A. C.; Fisher, Y.; Delettrez, J. A.; Meyerhofer, D. D.

1996-11-01

Brillouin scattering (BS) has been studied in short-scale-length, preformed plasmas. The backscattered and specularly reflected light resulting from the interaction of high-power picosecond pulses with preformed silicon plasmas has been measured. A first laser pulse forms a short-scale-length plasma -- without significant BS -- while a second delayed pulse interacts with an expanded, drifting underdense region of the plasma with density scale length (0 <= Ln <= 600 λ _L). The pulses are generated at λ L = 1054 nm, with intensities up to 10^16 W/cm^2. The backscattered light spectra, threshold intensities, and enhanced reflectivities have been determined for different plasma-density scale lengths and are compared to Liu, Rosenbluth, and White's(C. S. Liu, M. N. Rosenbluth, and R. B. White, Phys. Fluids 17, 1211 (1974).) WKB treatment of stimulated Brillouin scattering in inhomogeneous drifting plasmas. This work was supported by the U.S. Department of Energy Office of Inertial Confinement Fusion under Cooperative Agreement No. DE-FC03-92SF19460.

Resonant soft X-ray scattering for polymer materials

DOE PAGES

Liu, Feng; Brady, Michael A.; Wang, Cheng

2016-04-16

Resonant Soft X-ray Scattering (RSoXS) was developed within the last few years, and the first dedicated resonant soft X-ray scattering beamline for soft materials was constructed at the Advanced Light Source, LBNL. RSoXS combines soft X-ray spectroscopy with X-ray scattering and thus offers statistical information for 3D chemical morphology over a large length scale range from nanometers to micrometers. Using RSoXS to characterize multi-length scale soft materials with heterogeneous chemical structures, we have demonstrated that soft X-ray scattering is a unique complementary technique to conventional hard X-ray and neutron scattering. Its unique chemical sensitivity, large accessible size scale, molecular bondmore » orientation sensitivity with polarized X-rays, and high coherence have shown great potential for chemically specific structural characterization for many classes of materials.« less

A Thermal Model for Carbon Nanotube Interconnects

PubMed Central

Mohsin, Kaji Muhammad; Srivastava, Ashok; Sharma, Ashwani K.; Mayberry, Clay

2013-01-01

In this work, we have studied Joule heating in carbon nanotube based very large scale integration (VLSI) interconnects and incorporated Joule heating influenced scattering in our previously developed current transport model. The theoretical model explains breakdown in carbon nanotube resistance which limits the current density. We have also studied scattering parameters of carbon nanotube (CNT) interconnects and compared with the earlier work. For 1 µm length single-wall carbon nanotube, 3 dB frequency in S12 parameter reduces to ~120 GHz from 1 THz considering Joule heating. It has been found that bias voltage has little effect on scattering parameters, while length has very strong effect on scattering parameters. PMID:28348333

Phase stability and lattice thermal conductivity reduction in CoSb{sub 3} skutterudites, doped with chalcogen atoms

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

Battabyal, M., E-mail: manjusha.battabyal@project.arci.res.in; Priyadarshini, B.; Gopalan, R.

We report a significant reduction in the lattice thermal conductivity of the CoSb{sub 3} skuttertudites, doped with chalcogen atoms. Te/Se chalcogen atoms doped CoSb{sub 3} skutterudite samples (Te{sub 0.1}Co{sub 4}Sb{sub 12}, Se{sub 0.1}Co{sub 4}Sb{sub 12}, Te{sub 0.05}Se{sub 0.05}Co{sub 4}Sb{sub 12}) are processed by ball milling and spark plasma sintering. X-ray diffraction data combined with energy dispersive X-ray spectra indicate the doping of Te/Se chalcogen atoms in the skutterudite. The temperature dependent X-ray diffraction confirms the stability of the Te/Se doped CoSb{sub 3} skutterudite phase and absence of any secondary phase in the temperature range starting from 300 K to 773more » K. The Raman spectroscopy reveals that different chalcogen dopant atoms cause different resonant optical vibrational modes between the dopant atom and the host CoSb{sub 3} skutterudite lattice. These optical vibrational modes do scatter heat carrying acoustic phonons in a different spectral range. It was found that among the Te/Se chalcogen atoms, Te atoms alter the host CoSb{sub 3} skutterudite lattice vibrations to a larger extent than Se atoms, and can potentially scatter more Sb related acoustic phonons. The Debye model of lattice thermal conductivity confirms that the resonant phonon scattering has important contributions to the reduction of lattice thermal conductivity in CoSb{sub 3} skutterudites doped with Te/Se chalcogen atoms. Lattice thermal conductivity ∼ 0.9 W/mK at 773 K is achieved in Te{sub 0.1}Co{sub 4}Sb{sub 12} skutterudites, which is the lowest value reported so far in CoSb{sub 3} skutterudites, doped with single Te chalcogen atom.« less

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.

Strong anharmonic phonon scattering induced giant reduction of thermal conductivity in PbTe nanotwin boundary

NASA Astrophysics Data System (ADS)

Zhou, Yanguang; Yang, Jia-Yue; Cheng, Long; Hu, Ming

2018-02-01

Lead telluride (PbTe) is a renowned thermoelectric material with high energy conversion efficiency in medium to high temperature range. However, the performance of PbTe at room temperature is poor due to its relatively high lattice thermal conductivity, which is difficult to be engineered due to its intrinsic very short phonon mean-free path. By performing systematic first-principles and molecular-dynamics simulations, we report that the room-temperature lattice thermal conductivity of PbTe can be reduced by almost one order of magnitude (86%) using the recent experimentally observed nanotwin structure. The mechanism responsible for the dramatic decrease of thermal conductivity strongly depends on the type and mass of atoms at the twin boundary. For PbTe nanotwinned structures with Te at the twin boundary, phonon transport is dominated by the phonon confinement effect and phonon-twin boundary scattering, and the thermal conductivity converges to the bulk value when half of the periodic length is larger than the dominant phonon mean-free path. The same phenomenon is found in another comparison system of KCl nanotwinned structures. However, when Pb is present at the twin boundary, a scattering mechanism occurs: anharmonicity induced by the twin boundary. Due to the mass difference between Pb and Te, the thermal resistance for Pb residing at the twin boundary is found to be one order of magnitude larger than the case with Te at the twin boundary, which results in much stronger phonon-twin boundary scattering. Consequently, the lowest thermal conductivity of such PbTe nanotwinned structure is only 0.4 W/mK, which is reduced by about sevenfold compared to the bulk value of 2.85 W/mK; finally, the converged thermal conductivity cannot restore the bulk value even when half of the periodic length is much larger than the dominant mean-free path. These results offer useful guidance for the development of PbTe-based thermoelectrics and also suggest that nanotwins are excellent building blocks for enhancing the performance of existing thermoelectrics.

Effect of aspect ratio and deformability on nanoparticle extravasation through nanopores.

PubMed

Kersey, Farrell R; Merkel, Timothy J; Perry, Jillian L; Napier, Mary E; DeSimone, Joseph M

2012-06-12

We describe the fabrication of filamentous hydrogel nanoparticles using a unique soft lithography based particle molding process referred to as PRINT (particle replication in nonwetting templates). The nanoparticles possess a constant width of 80 nm, and we varied their lengths ranging from 180 to 5000 nm. In addition to varying the aspect ratio of the particles, the deformability of the particles was tuned by varying the cross-link density within the particle matrix. Size characteristics such as hydrodynamic diameter and persistence length of the particles were analyzed using dynamic light scattering and electron microscopy techniques, respectively, while particle deformability was assessed by atomic force microscopy. Additionally, the ability of the particles to pass through membranes containing 0.2 μm pores was assessed by means of a simple filtration technique, and particle recovery was determined using fluorescence spectroscopy. The results show that particle recovery is mostly independent of aspect ratio at all cross-linker concentrations utilized, with the exception of 96 wt % PEG diacrylate 80 × 5000 nm particles, which showed the lowest percent recovery.

Phononic Origins of Friction in Carbon Nanotube Oscillators.

PubMed

Prasad, Matukumilli V D; Bhattacharya, Baidurya

2017-04-12

Phononic coupling can have a significant role in friction between nanoscale surfaces. We find frictional dissipation per atom in carbon nanotube (CNT) oscillators to depend significantly on interface features such as contact area, commensurability, and by end-capping of the inner core. We perform large-scale phonon wavepacket MD simulations to study phonon coupling between a 250 nm long (10,10) outer tube and inner cores of four different geometries. Five different phonon polarizations known to have dominant roles in thermal transport are selected, and transmission coefficient plots for a range of phonon energies along with phonon scattering dynamics at specific energies are obtained. We find that the length of interface affects friction only through LA phonon scattering and has a significant nonlinear effect on total frictional force. Incommensurate contact does not always give rise to superlubricity: the net effect of two competing interaction mechanisms shown by longitudinal and transverse phonons decides the role of commensurability. Capping of the core has no effect on acoustic phonons but destroys the coherence of transverse optical phonons and creates diffusive scattering. In contrast, the twisting and radial breathing phonon modes have perfect transmission at all energies and can be deemed as the enablers of ultralow friction in CNT oscillators. Our work suggests that tuning of interface geometries can give rise to desirable friction properties in nanoscale devices.

The influence of current neutralization and multiple Coulomb scattering on the spatial dynamics of resistive sausage instability of a relativistic electron beam propagating in ohmic plasma

NASA Astrophysics Data System (ADS)

Kolesnikov, E. K.; Manuilov, A. S.; Petrov, V. S.; Klyushnikov, G. N.; Chernov, S. V.

2017-06-01

The influence of the current neutralization process, the phase mixing of the trajectories of electrons and multiple Coulomb scattering of electrons beam on the atoms of the background medium on the spatial increment of the growth of sausage instability of a relativistic electron beam propagating in ohmic plasma channel has been considered. It has been shown that the amplification of the current neutralization leads to a significant increase in this instability, and phase mixing and the process of multiple scattering of electrons beam on the atoms of the background medium are the stabilizing factor.

Resonant states for the scattering of slow particles by screened potentials

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

Bruk, Yu. M., E-mail: yubruk@gmail.com; Voloshchuk, A. N.

2016-09-15

Partial resonant situations for the scattering of slow particles with nonzero angular momenta by short-range screened Yukawa and Buckingham potentials are considered. The problem of electron scattering by a hydrogen atom placed in a plasma medium is discussed. A general scheme of resonances has been constructed in the Pais approximation.

Future of Electron Scattering and Diffraction

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

Hall, Ernest; Stemmer, Susanne; Zheng, Haimei

2014-02-25

The ability to correlate the atomic- and nanoscale-structure of condensed matter with physical properties (e.g., mechanical, electrical, catalytic, and optical) and functionality forms the core of many disciplines. Directing and controlling materials at the quantum-, atomic-, and molecular-levels creates enormous challenges and opportunities across a wide spectrum of critical technologies, including those involving the generation and use of energy. The workshop identified next generation electron scattering and diffraction instruments that are uniquely positioned to address these grand challenges. The workshop participants identified four key areas where the next generation of such instrumentation would have major impact: A – Multidimensional Visualizationmore » of Real Materials B – Atomic-scale Molecular Processes C – Photonic Control of Emergence in Quantum Materials D – Evolving Interfaces, Nucleation, and Mass Transport Real materials are comprised of complex three-dimensional arrangements of atoms and defects that directly determine their potential for energy applications. Understanding real materials requires new capabilities for three-dimensional atomic scale tomography and spectroscopy of atomic and electronic structures with unprecedented sensitivity, and with simultaneous spatial and energy resolution. Many molecules are able to selectively and efficiently convert sunlight into other forms of energy, like heat and electric current, or store it in altered chemical bonds. Understanding and controlling such process at the atomic scale require unprecedented time resolution. One of the grand challenges in condensed matter physics is to understand, and ultimately control, emergent phenomena in novel quantum materials that necessitate developing a new generation of instruments that probe the interplay among spin, charge, orbital, and lattice degrees of freedom with intrinsic time- and length-scale resolutions. Molecules and soft matter require imaging and spectroscopy with high spatial resolution without damaging their structure. The strong interaction of electrons with matter allows high-energy electron pulses to gather structural information before a sample is damaged. Electron ScatteringImaging, diffraction, and spectroscopy are the fundamental capabilities of electron-scattering instruments. The DOE BES-funded TEAM (Transmission Electron Aberration-corrected Microscope) project achieved unprecedented sub-atomic spatial resolution in imaging through aberration-corrected transmission electron microscopy. To further advance electron scattering techniques that directly enable groundbreaking science, instrumentation must advance beyond traditional two-dimensional imaging. Advances in temporal resolution, recording the full phase and energy spaces, and improved spatial resolution constitute a new frontier in electron microscopy, and will directly address the BES Grand Challenges, such as to “control the emergent properties that arise from the complex correlations of atomic and electronic constituents” and the “hidden states” “very far away from equilibrium”. Ultrafast methods, such as the pump-probe approach, enable pathways toward understanding, and ultimately controlling, the chemical dynamics of molecular systems and the evolution of complexity in mesoscale and nanoscale systems. Central to understanding how to synthesize and exploit functional materials is having the ability to apply external stimuli (such as heat, light, a reactive flux, and an electrical bias) and to observe the resulting dynamic process in situ and in operando, and under the appropriate environment (e.g., not limited to UHV conditions). To enable revolutionary advances in electron scattering and science, the participants of the workshop recommended three major new instrumental developments: A. Atomic-Resolution Multi-Dimensional Transmission Electron Microscope: This instrument would provide quantitative information over the entire real space, momentum space, and energy space for visualizing dopants, interstitials, and light elements; for imaging localized vibrational modes and the motion of charged particles and vacancies; for correlating lattice, spin, orbital, and charge; and for determining the structure and molecular chemistry of organic and soft matter. The instrument will be uniquely suited to answer fundamental questions in condensed matter physics that require understanding the physical and electronic structure at the atomic scale. Key developments include stable cryogenic capabilities that will allow access to emergent electronic phases, as well as hard/soft interfaces and radiation- sensitive materials. B. Ultrafast Electron Diffraction and Microscopy Instrument: This instrument would be capable of nano-diffraction with 10 fs temporal resolution in stroboscopic mode, and better than 100 fs temporal resolution in single shot mode. The instrument would also achieve single- shot real-space imaging with a spatial/temporal resolution of 10 nm/10 ps, representing a thousand fold improvement over current microscopes. Such a capability would be complementary to x-ray free electron lasers due to the difference in the nature of electron and x-ray scattering, enabling space-time mapping of lattice vibrations and energy transport, facilitating the understanding of molecular dynamics of chemical reactions, the photonic control of emergence in quantum materials, and the dynamics of mesoscopic materials. C. Lab-In-Gap Dynamic Microscope: This instrument would enable quantitative measurements of materials structure, composition, and bonding evolution in technologically relevant environments, including liquids, gases and plasmas, thereby assuring the understanding of structure function relationship at the atomic scale with up to nanosecond temporal resolution. This instrument would employ a versatile, modular sample stage and holder geometry to allow the multi-modal (e.g., optical, thermal, mechanical, electrical, and electrochemical) probing of materials’ functionality in situ and in operando. The electron optics encompasses a pole piece that can accommodate the new stage, differential pumping, detectors, aberration correctors, and other electron optical elements for measurement of materials dynamics. To realize the proposed instruments in a timely fashion, BES should aggressively support research and development of complementary and enabling instruments, including new electron sources, advanced electron optics, new tunable specimen pumps and sample stages, and new detectors. The proposed instruments would have transformative impact on physics, chemistry, materials science, engineering« less

Potential-splitting approach applied to the Temkin-Poet model for electron scattering off the hydrogen atom and the helium ion

NASA Astrophysics Data System (ADS)

Yarevsky, E.; Yakovlev, S. L.; Larson, Å; Elander, N.

2015-06-01

The study of scattering processes in few body systems is a difficult problem especially if long range interactions are involved. In order to solve such problems, we develop here a potential-splitting approach for three-body systems. This approach is based on splitting the reaction potential into a finite range core part and a long range tail part. The solution to the Schrödinger equation for the long range tail Hamiltonian is found analytically, and used as an incoming wave in the three body scattering problem. This reformulation of the scattering problem makes it suitable for treatment by the exterior complex scaling technique in the sense that the problem after the complex dilation is reduced to a boundary value problem with zero boundary conditions. We illustrate the method with calculations on the electron scattering off the hydrogen atom and the positive helium ion in the frame of the Temkin-Poet model.

Charge ordering and scattering pre-peaks in ionic liquids and alcohols.

PubMed

Perera, Aurélien

2017-01-04

The structural properties of ionic liquids and alcohols are viewed under the charge ordering process as a common basis to explain the peculiarity of their radiation scattering properties, namely the presence, or absence, of a scattering pre-peak. Through the analysis of models, it is shown that the presence, or absence, of a radiation scattering pre-peak is principally related to the symmetry breaking, or not, of the global charge order, induced by the peculiarities of the molecular shapes. This symmetry breaking is achieved, in practice, by the emergence of specific types of clusters, which manifests how the global charge order has changed into a local form. Various atom-atom correlations witness the symmetry breaking induced by this re organization, and this is manifested into a pre-peak in the structure factor. This approach explains why associated liquids such as water do not show a scattering pre-peak. It also explains under which conditions core-soft models can mimic associating liquids.

Emission- and fluorescence-spectroscopic investigation of a glow discharge plasma: absolute number density of radiative and nonradiative atoms in the negative glow.

PubMed

Takubo, Y; Sato, T; Asaoka, N; Kusaka, K; Akiyama, T; Muroo, K; Yamamoto, M

2008-01-01

The excited-state atom densities in the negative glow of a direct-current glow discharge are derived from the spectral-line intensity of radiative atoms and the resonance-fluorescence photon flux of nonradiative atoms. The discharge is operated in a helium-argon gas mixture (molar fraction ratio 91:9; total gas pressure 5 Torr) at a dc current of 0.7-1.2 mA. The observations are made in the region of the maximum luminance in the cathode region, where high-energy electrons accelerated in the cathode fall are injected into the negative glow. The emission intensities of the He I, He II, Ar I, and Ar II spectral lines are measured with a calibrated tungsten ribbon lamp as an absolute spectral-radiance standard. Fluorescence photons scattered by helium and argon atoms in the metastable state and argon atoms in the resonance state are detected by the laser-induced fluorescence (LIF) method with the Rayleigh scattering of nitrogen molecules as an absolute standard of scattering cross section. The laser absorption method is incorporated to confirm the result of the LIF measurement. Excitation energies of the measured spectral lines range from 11.6 (Ar I) to 75.6 eV (He II), where the excitation energy is measured from the ground state of the neutral atom on the assumption that, in the plasma of this study, both the neutral and the ionic lines are excited by electron impact in a single-step process from the ground state of the corresponding neutral atoms. Experimental evidence is shown for the validity of this assumption.

Effect of component substitution on the atomic dynamics in glass-forming binary metallic melts

NASA Astrophysics Data System (ADS)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Voigtmann, Th.; Evenson, Z.; Hansen, T. C.; Meyer, A.

2017-08-01

We investigate the substitution of early transition metals (Zr, Hf, and Nb) in Ni-based binary glass-forming metallic melts and the impact on structural and dynamical properties by using a combination of neutron scattering, electrostatic levitation (ESL), and isotopic substitution. The self-diffusion coefficients measured by quasielastic neutron scattering (QENS) identify a sluggish diffusion as well as an increased activation energy by almost a factor of 2 for Hf35Ni65 compared to Zr36Ni64 . This finding can be explained by the locally higher packing density of Hf atoms in Hf35Ni65 compared to Zr atoms in Zr36Ni64 , which has been derived from interatomic distances by analyzing the measured partial structure factors. Furthermore, QENS measurements of liquid Hf35Ni65 prepared with 60Ni , which has a vanishing incoherent scattering cross section, have demonstrated that self-diffusion of Hf is slowed down compared to the concentration weighted self-diffusion of Hf and Ni. This implies a dynamical decoupling between larger Hf and smaller Ni atoms, which can be related to a saturation effect of unequal atomic nearest-neighbor pairs, that was observed recently for Ni-rich compositions in Zr-Ni metallic melts. In order to establish a structure-dynamics relation, measured partial structure factors have been used as an input for mode-coupling theory (MCT) of the glass transition to calculate self-diffusion coefficients for the different atomic components. Remarkably, MCT can reproduce the increased activation energy for Hf35Ni65 as well as the dynamical decoupling between Hf and Ni atoms.

Study of thermal scattering for organic tissues through molecular dynamics

NASA Astrophysics Data System (ADS)

Ramos, Ricardo; Cantargi, Florencia; Marquez Damian, Jose Ignacio; Gonçalves-Carralves, Manuel Sztejnberg

2017-09-01

Boron Neutron Capture Therapy (BNCT) is an experimental therapy for tumors which is based on the nuclear reaction that occurs when 10B is irradiated with thermal neutrons. Calculations for BNCT with Monte Carlo N-Particle (MCNP) take into account the thermal scattering treatment for hydrogen bound in bulk water for any organic tissue. However, in these tissues, hydrogen is also present in macromolecules (protein, lipids, etc.) and in confined water. Thermal scattering cross section for hydrogen in an organic tissue can be determined by calculating the scattering law S(α,β). This function can be obtained with the nuclear data processing system NJOY from the vibrational frequency spectrum of an atom in a molecular system. We performed calculations of the frequency spectrum from molecular dynamics simulations using the program GROMACS. Systems composed of a peptide in a water box were considered, with different proportions of water molecules. All-atom potentials for modeling this molecules were used in order to represent the internal vibrational normal modes for the atoms of hydrogen. The results showed several internal normal modes that in the case of hydrogen bound in bulk water do not appear.

Rayleigh Scattering in Spectral Series with L-term Interference

NASA Astrophysics Data System (ADS)

Casini, R.; Manso Sainz, R.; del Pino Alemán, T.

2017-12-01

We derive a formalism to describe the scattering of polarized radiation over the full spectral range encompassed by atomic transitions belonging to the same spectral series (e.g., the H I Lyman and Balmer series, the UV multiplets of Fe I and Fe II). This allows us to study the role of radiation-induced coherence among the upper terms of the spectral series, and its contribution to Rayleigh scattering and the polarization of the solar continuum. We rely on previous theoretical results for the emissivity of a three-term atom of the Λ-type, taking into account partially coherent scattering, and generalize its expression in order to describe a “multiple Λ” atomic system underlying the formation of a spectral series. Our study shows that important polarization effects must be expected because of the combined action of partial frequency redistribution and radiation-induced coherence among the terms of the series. In particular, our model predicts the correct asymptotic limit of 100% polarization in the far wings of a complete (i.e., {{Δ }}L=0,+/- 1) group of transitions, which must be expected on the basis of the principle of spectroscopic stability.

On the measurement of Rayleigh scattering by gases at 6328A

NASA Technical Reports Server (NTRS)

SHARDANAND; Gupta, S. K.

1973-01-01

The problem of laboratory measurements of Rayleigh scattering and depolarization ratio for atoms and molecules in the gaseous state is described. It is shown that, if the scattered radiation measurements are made at two angles, the normal depolarization ratio cannot be determined meaningfully. However, from scattering measurements, the Rayleigh scattering cross sections can be determined accurately. The measurements of Raleigh scattering from He, H2, Ar, O2, and N2 for unpolarized radiation at 6328A are reported and compared with similar measurements at 6943 and 1215.7A.

A square-wave wavelength modulation system for automatic background correction in carbon furnace atomic emission spectrometry

NASA Astrophysics Data System (ADS)

Bezur, L.; Marshall, J.; Ottaway, J. M.

A square-wave wavelength modulation system, based on a rotating quartz chopper with four quadrants of different thicknesses, has been developed and evaluated as a method for automatic background correction in carbon furnace atomic emission spectrometry. Accurate background correction is achieved for the residual black body radiation (Rayleigh scatter) from the tube wall and Mie scatter from particles generated by a sample matrix and formed by condensation of atoms in the optical path. Intensity modulation caused by overlap at the edges of the quartz plates and by the divergence of the optical beam at the position of the modulation chopper has been investigated and is likely to be small.

Collisional redistribution of radiation. III - The equation of motion for the correlation function and the scattered spectrum

NASA Technical Reports Server (NTRS)

Burnett, K.; Cooper, J.

1980-01-01

Computations were made of the scattering of monochromatic radiation by a degenerate atom in the binary-collision approximation for field strengths whose products of the Rabi frequency for atomic transition and the duration of a strong collision are much less than 1. An expression of motion for the correlation function is derived which does not exclude the region where thermal correlations may be neglected; the equation is valid outside the quantum-regression regime, and has a straightforward solution for practical cases. Solutions for the weak-field linear response regime are presented in terms of generalized absorption and emission profiles which depend on the indices of the atomic multipoles.

Theoretical modeling of electronic transport in molecular devices

NASA Astrophysics Data System (ADS)

Piccinin, Simone

In this thesis a novel approach for simulating electronic transport in nanoscale structures is introduced. We consider an open quantum system (the electrons of structure) accelerated by an external electromotive force and dissipating energy through inelastic scattering with a heat bath (phonons) acting on the electrons. This method can be regarded as a quantum-mechanical extension of the semi-classical Boltzmann transport equation. We use periodic boundary conditions and employ Density Functional Theory to recast the many-particle problem in an effective single-particle mean-field problem. By explicitly treating the dissipation in the electrodes, the behavior of the potential is an outcome of our method, at variance with the scattering approaches based on the Landauer formalism. We study the self-consistent steady-state solution, analyzing the out-of-equilibrium electron distribution, the electrical characteristics, the behavior of the self-consistent potential and the density of states of the system. We apply the method to the study of electronic transport in several molecular devices, consisting of small organic molecules or atomic wires sandwiched between gold surfaces. For gold wires we recover the experimental evidence that transport in short wires is ballistic, independent of the length of the wire and with conductance of one quantum. In benzene-1,4-dithiol we find that the delocalization of the frontier orbitals of the molecule is responsible for the high value of conductance and that, by inserting methylene groups to decouple the sulfur atoms from the carbon ring, the current is reduced, in agreement with the experimental measurements. We study the effect a geometrical distortion in a molecular device, namely the relative rotation of the carbon rings in a biphenyl-4,4'-dithiol molecule. We find that the reduced coupling between pi orbitals of the rings induced by the rotation leads to a reduction of the conductance and that this behavior is captured by a simple two level model. Finally the transport properties of alkanethiol monolayers are analyzed by means of the local density of states at the Fermi energy: we find an exponential dependence of the current on the length of the chain, in quantitative agreement with the corresponding experiments.

Creation of Rydberg Polarons in a Bose Gas

NASA Astrophysics Data System (ADS)

Camargo, F.; Schmidt, R.; Whalen, J. D.; Ding, R.; Woehl, G.; Yoshida, S.; Burgdörfer, J.; Dunning, F. B.; Sadeghpour, H. R.; Demler, E.; Killian, T. C.

2018-02-01

We report spectroscopic observation of Rydberg polarons in an atomic Bose gas. Polarons are created by excitation of Rydberg atoms as impurities in a strontium Bose-Einstein condensate. They are distinguished from previously studied polarons by macroscopic occupation of bound molecular states that arise from scattering of the weakly bound Rydberg electron from ground-state atoms. The absence of a p -wave resonance in the low-energy electron-atom scattering in Sr introduces a universal behavior in the Rydberg spectral line shape and in scaling of the spectral width (narrowing) with the Rydberg principal quantum number, n . Spectral features are described with a functional determinant approach (FDA) that solves an extended Fröhlich Hamiltonian for a mobile impurity in a Bose gas. Excited states of polyatomic Rydberg molecules (trimers, tetrameters, and pentamers) are experimentally resolved and accurately reproduced with a FDA.

Population of collective modes in light scattering by many atoms

NASA Astrophysics Data System (ADS)

Guerin, William; Kaiser, Robin

2017-05-01

The interaction of light with an atomic sample containing a large number of particles gives rise to many collective (or cooperative) effects, such as multiple scattering, superradiance, and subradiance, even if the atomic density is low and the incident optical intensity weak (linear optics regime). Tracing over the degrees of freedom of the light field, the system can be well described by an effective atomic Hamiltonian, which contains the light-mediated dipole-dipole interaction between atoms. This long-range interaction is at the origin of the various collective effects, or of collective excitation modes of the system. Even though an analysis of the eigenvalues and eigenfunctions of these collective modes does allow distinguishing superradiant modes, for instance, from other collective modes, this is not sufficient to understand the dynamics of a driven system, as not all collective modes are significantly populated. Here, we study how the excitation parameters, i.e., the driving field, determines the population of the collective modes. We investigate in particular the role of the laser detuning from the atomic transition, and demonstrate a simple relation between the detuning and the steady-state population of the modes. This relation allows understanding several properties of cooperative scattering, such as why superradiance and subradiance become independent of the detuning at large enough detuning without vanishing, and why superradiance, but not subradiance, is suppressed near resonance. We also show that the spatial properties of the collective modes allow distinguishing diffusive modes, responsible for radiation trapping, from subradiant modes.

Measurement of the magneto-optical correlation length in turbid media

NASA Astrophysics Data System (ADS)

Lenke, Ralf; Eisenmann, Christoph; Reinke, Daniel; Maret, Georg

2002-11-01

In multiple light scattering media, magnetic field induced circular birefringence (Faraday effect) influences interference effects such as speckle pattern or coherent backscattering. It was predicted that in the diffusive regime the relevant correlation length with respect to the Faraday rotation l*F differs, in general, from the transport mean free path l*. We have experimentally verified the prediction that the ratio l*F/l* equals 2 for Rayleigh scattering and decreases to 1 with increasing scatterer size. We also discuss the influence of the structure factor on l*F.

Bringing diffuse X-ray scattering into focus

DOE PAGES

Wall, Michael E.; Wolff, Alexander M.; Fraser, James S.

2018-02-16

X-ray crystallography is experiencing a renaissance as a method for probing the protein conformational ensemble. The inherent limitations of Bragg analysis, however, which only reveals the mean structure, have given way to a surge in interest in diffuse scattering, which is caused by structure variations. Diffuse scattering is present in all macromolecular crystallography experiments. Recent studies are shedding light on the origins of diffuse scattering in protein crystallography, and provide clues for leveraging diffuse scattering to model protein motions with atomic detail.

Bringing diffuse X-ray scattering into focus

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

Wall, Michael E.; Wolff, Alexander M.; Fraser, James S.

X-ray crystallography is experiencing a renaissance as a method for probing the protein conformational ensemble. The inherent limitations of Bragg analysis, however, which only reveals the mean structure, have given way to a surge in interest in diffuse scattering, which is caused by structure variations. Diffuse scattering is present in all macromolecular crystallography experiments. Recent studies are shedding light on the origins of diffuse scattering in protein crystallography, and provide clues for leveraging diffuse scattering to model protein motions with atomic detail.

Superfluidity of identical fermions in an optical lattice: Atoms and polar molecules

NASA Astrophysics Data System (ADS)

Fedorov, A. K.; Yudson, V. I.; Shlyapnikov, G. V.

2018-02-01

In this work we discuss the emergence of p-wave superfluids of identical fermions in 2D lattices. The optical lattice potential manifests itself in an interplay between an increase in the density of states on the Fermi surface and the modification of the fermion-fermion interaction (scattering) amplitude. The density of states is enhanced due to an increase of the effective mass of atoms. In deep lattices, for short-range interacting atoms the scattering amplitude is strongly reduced compared to free space due to a small overlap of wavefunctions of fermions sitting in the neighboring lattice sites, which suppresses the p-wave superfluidity. However, we show that for a moderate lattice depth there is still a possibility to create atomic p-wave superfluids with sizable transition temperatures. The situation is drastically different for fermionic polar molecules. Being dressed with a microwave field, they acquire a dipole-dipole attractive tail in the interaction potential. Then, due to a long-range character of the dipole-dipole interaction, the effect of the suppression of the scattering amplitude in 2D lattices is absent. This leads to the emergence of a stable topological px + ipy superfluid of identical microwave-dressed polar molecules.

Preliminary neutron crystallographic analysis of selectively CH3-protonated, deuterated rubredoxin from Pyrococcus furiosus

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

Weiss, Kevin L; Meilleur, Flora; Blakeley, Matthew

2008-01-01

Neutron crystallography is used to locate hydrogen atoms in biological materials and can distinguish between negatively scattering hydrogen and positively scattering deuterium substituted positions in isomorphous neutron structures. Recently, Hauptman and Langs (2003) have shown that neutron diffraction data can be used to solve macromolecular structures by direct methods and that solution is aided by the presence of negatively scattering hydrogen atoms in the structure. Selective labeling protocols allow the design and production of H/D-labeled macromolecular structures in which the ratio of hydrogen to deuterium atoms can be precisely controlled. We have applied methyl-selective labeling protocols to introduce (1H-delta methyl)-leucinemore » and (1H-gamma methyl)-valine into deuterated rubredoxin from Pyrococcus furiosus (PfRd). Here we report on the production, crystallization, and preliminary neutron analysis of the selectively CH3-protonated, deuterated PfRd sample, which provided a high quality neutron data set extending to 1.75 resolution at the new LADI-III instrument at the Insititut Laue-Langevin. Preliminary analysis of neutron density maps allows unambiguous assignment of the positions of hydrogen atoms at the methyl groups of the valine and leucine residues in the otherwise deuterated rubredoxin structure.« less

Electromagnetic wave scattering from some vegetation samples

NASA Technical Reports Server (NTRS)

Karam, Mostafa A.; Fung, Adrian K.; Antar, Yahia M.

1988-01-01

For an incident plane wave, the field inside a thin scatterer (disk and needle) is estimated by the generalized Rayleigh-Gans (GRG) approximation. This leads to a scattering amplitude tensor equal to that obtained via the Rayleigh approximation (dipole term) with a modifying function. For a finite-length cylinder the inner field is estimated by the corresponding field for the same cylinder of infinite lenght. The effects of different approaches in estimating the field inside the scatterer on the backscattering cross section are illustrated numerically for a circular disk, a needle, and a finite-length cylinder as a function of the wave number and the incidence angle. Finally, the modeling predictions are compared with measurements.

Polar rotor scattering as atomic-level origin of low mobility and thermal conductivity of perovskite CH3NH3PbI3

PubMed Central

Li, Bing; Kawakita, Yukinobu; Liu, Yucheng; Wang, Mingchao; Matsuura, Masato; Shibata, Kaoru; Ohira-Kawamura, Seiko; Yamada, Takeshi; Lin, Shangchao; Nakajima, Kenji; Liu, Shengzhong (Frank)

2017-01-01

Perovskite CH3NH3PbI3 exhibits outstanding photovoltaic performances, but the understanding of the atomic motions remains inadequate even though they take a fundamental role in transport properties. Here, we present a complete atomic dynamic picture consisting of molecular jumping rotational modes and phonons, which is established by carrying out high-resolution time-of-flight quasi-elastic and inelastic neutron scattering measurements in a wide energy window ranging from 0.0036 to 54 meV on a large single crystal sample, respectively. The ultrafast orientational disorder of molecular dipoles, activated at ∼165 K, acts as an additional scattering source for optical phonons as well as for charge carriers. It is revealed that acoustic phonons dominate the thermal transport, rather than optical phonons due to sub-picosecond lifetimes. These microscopic insights provide a solid standing point, on which perovskite solar cells can be understood more accurately and their performances are perhaps further optimized. PMID:28665407

The Hitomi (ASTRO-H) Soft X-ray Telescope (SXT): current status of calibration

NASA Astrophysics Data System (ADS)

Maeda, Yoshitomo; Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsuishi, Ikuyuki; Saji, Shigetaka; Sato, Toshiki; Tachibana, Sasagu; Mori, Hideyuki; Christensen, Finn; Brejnholt, Nicolai; Nitta, Kiyofumi; Uruga, Tomoya

2017-08-01

We report the atomic scattering factor in the 11.2-15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT)9 obtained in the ground based measurements. The large effective area of the SXT covers above 10 keV. In fact, the flight data show the spectra of the celestical objects in the hard X-ray band. In order to model the area, the reflectivity measurements in the 11.2-15.4 keV band with the energy pitch of 0.4 - 0.7 eV were made in the synchrotron beamline Spring-8 BL01B1. We obtained atomic scattering factors f1 and f2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the gold' s L-I, II, and III transitions are identified, of which the depths are found to be roughly 60% shallower than those expected from the Henke's atomic scattering factor.

Reflectivity around the gold L-edges of x-ray reflector of the soft x-ray telescope onboard ASTRO-H

NASA Astrophysics Data System (ADS)

Maeda, Yoshitomo; Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsuishi, Ikuyuki; Saji, Shigetaka; Sato, Toshiki; Tachibana, Sasagu; Mori, Hideyuki; Christensen, Finn; Brejnholt, Nicolai; Nitta, Kiyofumi; Uruga, Tomoya

2016-07-01

We report the atomic scattering factor in the 11.2{15.4 keV for the ASTRO-H Soft X-ray Telescope (SXT)9 obtained in the ground based measurements. The large effective area of the SXT covers above 10 keV. In fact, the flight data show the spectra of the celestical objects in the hard X-ray band. In order to model the area, the reflectivity measurements in the 11.2{15.4 keV band with the energy pitch of 0.4 { 0.7 eV were made in the synchrotron beamline Spring-8 BL01B1. We obtained atomic scattering factors f1 and f2 by the curve fitting to the reflectivities of our witness sample. The edges associated with the gold's L-I, II, and III transitions are identified, of which the depths are found to be roughly 60% shallower than those expected from the Henke's atomic scattering factor.

Backscattering spectrometry device for identifying unknown elements present in a workpiece

DOEpatents

Doyle, Barney L.; Knapp, James A.

1991-01-01

A backscattering spectrometry method and device for identifying and quantifying impurities in a workpiece during processing and manufacturing of that workpiece. While the workpiece is implanted with an ion beam, that same ion beam backscatters resulting from collisions with known atoms and with impurities within the workpiece. Those ions backscatter along a predetermined scattering angle and are filtered using a self-supporting filter to stop the ions with a lower energy because they collided with the known atoms of the workpiece of a smaller mass. Those ions which pass through the filter have a greater energy resulting from impact with impurities having a greater mass than the known atoms of the workpiece. A detector counts the number and measures the energy of the ions which pass through the filter. From the energy determination and knowledge of the scattering angle, a mass calculation determines the identity, and from the number and solid angle of the scattering angle, a relative concentration of the impurity is obtained.

Reflectivity Around the Gold L-Edges of X-Ray Reflector of the Soft X-Ray Telescope Onboard ASTRO-H

NASA Technical Reports Server (NTRS)

Maeda, Yoshitomo; Kikuchi, Naomichi; Kurashima, Sho; Ishida, Manabu; Iizuka, Ryo; Hayashi, Takayuki; Okajima, Takashi; Matsumoto, Hironori; Mitsuishi, Ikuyuki; Saji, Shigetaka;

Observation of correlated excitations in bimolecular collisions

NASA Astrophysics Data System (ADS)

Gao, Zhi; Karman, Tijs; Vogels, Sjoerd N.; Besemer, Matthieu; van der Avoird, Ad; Groenenboom, Gerrit C.; van de Meerakker, Sebastiaan Y. T.

2018-02-01

Although collisions between atoms and molecules are largely understood, collisions between two molecules have proven much harder to study. In both experiment and theory, our ability to determine quantum-state-resolved bimolecular cross-sections lags behind their atom-molecule counterparts by decades. For many bimolecular systems, even rules of thumb—much less intuitive understanding—of scattering cross sections are lacking. Here, we report the measurement of state-to-state differential cross sections on the collision of state-selected and velocity-controlled nitric oxide (NO) radicals and oxygen (O2) molecules. Using velocity map imaging of the scattered NO radicals, the full product-pair correlations of rotational excitation that occurs in both collision partners from individual encounters are revealed. The correlated cross sections show surprisingly good agreement with quantum scattering calculations using ab initio NO-O2 potential energy surfaces. The observations show that the well-known energy-gap law that governs atom-molecule collisions does not generally apply to bimolecular excitation processes, and reveal a propensity rule for the vector correlation of product angular momenta.

Interactions and low-energy collisions between an alkali ion and an alkali atom of a different nucleus

NASA Astrophysics Data System (ADS)

Rakshit, Arpita; Ghanmi, Chedli; Berriche, Hamid; Deb, Bimalendu

2016-05-01

We study theoretically interaction potentials and low-energy collisions between different alkali atoms and alkali ions. Specifically, we consider systems such as X + {{{Y}}}+, where X({{{Y}}}+) is either Li(Cs+) or Cs(Li+), Na(Cs+) or Cs(Na+) and Li(Rb+) or Rb(Li+). We calculate the molecular potentials of the ground and first two excited states of these three systems using a pseudopotential method and compare our results with those obtained by others. We derive ground-state scattering wave functions and analyze the cold collisional properties of these systems for a wide range of energies. We find that, in order to get convergent results for the total scattering cross sections for energies of the order 1 K, one needs to take into account at least 60 partial waves. The low-energy scattering properties calculated in this paper may serve as a precursor for experimental exploration of quantum collisions between an alkali atom and an alkali ion of a different nucleus.

Mathematical Modeling of Resonant Processes in Confined Geometry of Atomic and Atom-Ion Traps

NASA Astrophysics Data System (ADS)

Melezhik, Vladimir S.

2018-02-01

We discuss computational aspects of the developed mathematical models for resonant processes in confined geometry of atomic and atom-ion traps. The main attention is paid to formulation in the nondirect product discrete-variable representation (npDVR) of the multichannel scattering problem with nonseparable angular part in confining traps as the boundary-value problem. Computational efficiency of this approach is demonstrated in application to atomic and atom-ion confinement-induced resonances we predicted recently.

Scaled plane-wave Born cross sections for atoms and molecules

NASA Astrophysics Data System (ADS)

Tanaka, H.; Brunger, M. J.; Campbell, L.; Kato, H.; Hoshino, M.; Rau, A. R. P.

2016-04-01

Integral cross sections for optically allowed electronic-state excitations of atoms and molecules by electron impact, by applying scaled plane-wave Born models, are reviewed. Over 40 years ago, Inokuti presented an influential review of charged-particle scattering, based on the theory pioneered by Bethe forty years earlier, which emphasized the importance of reliable cross-section data from low eV energies to high keV energies that are needed in many areas of radiation science with applications to astronomy, plasmas, and medicine. Yet, with a couple of possible exceptions, most computational methods in electron-atom scattering do not, in general, overlap each other's validity range in the region from threshold up to 300 eV and, in particular, in the intermediate region from 30 to 300 eV. This is even more so for electron-molecule scattering. In fact this entire energy range is of great importance and, to bridge the gap between the two regions of low and high energy, scaled plane-wave Born models were developed to provide reliable, comprehensive, and absolute integral cross sections, first for ionization by Kim and Rudd and then extended to optically allowed electronic-state excitation by Kim. These and other scaling models in a broad, general application to electron scattering from atoms and molecules, their theoretical basis, and their results for cross sections along with comparison to experimental measurements are reviewed. Where possible, these data are also compared to results from other computational approaches.

Very strong Rydberg atom scattering in K(12p)-CH3NO2 collisions: Role of transient ion pair formation

NASA Astrophysics Data System (ADS)

Kelley, M.; Buathong, S.; Dunning, F. B.

2017-05-01

Collisions between K(12p) Rydberg atoms and CH3NO2 target molecules are studied. Whereas CH3NO2 can form long-lived valence-bound CH3NO2-ions, the data provide no evidence for production of long-lived K+⋯ CH3NO2 - ion pair states. Rather, the data show that collisions result in unusually strong Rydberg atom scattering. This behavior is attributed to ion-ion scattering resulting from formation of transient ion pair states through transitions between the covalent K(12p) + CH3NO2 and ionic K+ + (dipole bound) CH3NO2-terms in the quasimolecule formed during collisions. The ion-pair states are destroyed through rapid dissociation of the CH3NO2 - ions induced by the field of the K+ core ion, the detached electron remaining bound to the K+ ion in a Rydberg state. Analysis of the experimental data shows that ion pair lifetimes ≳10 ps are sufficient to account for the present observations. The present results are consistent with recent theoretical predictions that Rydberg collisions with CH3NO2 will result in strong collisional quenching. The work highlights a new mechanism for Rydberg atom scattering that could be important for collisions with other polar targets. For purposes of comparison, results obtained following K(12p)-SF6 collisions are also included.

A Rutherford Scattering Simulation with Microcomputer Graphics.

ERIC Educational Resources Information Center

Calle, Carlos I.; Wright, Lavonia F.

1989-01-01

Lists a program for a simulation of Rutherford's gold foil experiment in BASIC for both Apple II and IBM compatible computers. Compares Rutherford's model of the atom with Thompson's plum pudding model of the atom. (MVL)

Thermoelectric properties of periodic quantum structures in the Wigner-Rode formalism

NASA Astrophysics Data System (ADS)

Kommini, Adithya; Aksamija, Zlatan

2018-01-01

Improving the thermoelectric Seebeck coefficient, while simultaneously reducing thermal conductivity, is required in order to boost thermoelectric (TE) figure of merit (ZT). A common approach to improve the Seebeck coefficient is electron filtering where ‘cold’ (low energy) electrons are restricted from participating in transport by an energy barrier (Kim and Lundstrom 2011 J. Appl. Phys. 110 034511, Zide et al 2010 J. Appl. Phys. 108 123702). However, the impact of electron tunneling through thin barriers and resonant states on TE properties has been given less attention, despite the widespread use of quantum wells and superlattices (SLs) in TE applications. In our work, we develop a comprehensive transport model using the Wigner-Rode formalism. We include the full electronic bandstructure and all the relevant scattering mechanisms, allowing us to simulate both energy relaxation and quantum effects from periodic potential barriers. We study the impact of barrier shape on TE performance and find that tall, sharp barriers with small period lengths lead to the largest increase in both Seebeck coefficient and conductivity, thus boosting power factor and TE efficiency. Our findings are robust against additional elastic scattering such as atomic-scale roughness at side-walls of SL nanowires.

Observation of the Leggett-Rice Effect in a Unitary Fermi Gas

NASA Astrophysics Data System (ADS)

Trotzky, S.; Beattie, S.; Luciuk, C.; Smale, S.; Bardon, A. B.; Enss, T.; Taylor, E.; Zhang, S.; Thywissen, J. H.

2015-01-01

We observe that the diffusive spin current in a strongly interacting degenerate Fermi gas of 40K precesses about the local magnetization. As predicted by Leggett and Rice, precession is observed both in the Ramsey phase of a spin-echo sequence, and in the nonlinearity of the magnetization decay. At unitarity, we measure a Leggett-Rice parameter γ =1.08 (9 ) and a bare transverse spin diffusivity D0⊥=2.3 (4 )ℏ/m for a normal-state gas initialized with full polarization and at one-fifth of the Fermi temperature, where m is the atomic mass. One might expect γ =0 at unitarity, where two-body scattering is purely dissipative. We observe γ →0 as temperature is increased towards the Fermi temperature, consistent with calculations that show the degenerate Fermi sea restores a nonzero γ . Tuning the scattering length a , we find that a sign change in γ occurs in the range 0 <(kFa )-1≲1.3 , where kF is the Fermi momentum. We discuss how γ reveals the effective interaction strength of the gas, such that the sign change in γ indicates a switching of branch between a repulsive and an attractive Fermi gas.

Assessment and formation mechanism of laser-induced periodic surface structures on polymer spin-coated films in real and reciprocal space.

PubMed

Rebollar, Esther; Pérez, Susana; Hernández, Jaime J; Martín-Fabiani, Ignacio; Rueda, Daniel R; Ezquerra, Tiberio A; Castillejo, Marta

2011-05-03

In this work we evaluate the potential of grazing incidence X-ray scattering techniques in the investigation of laser-induced periodic surface structures (LIPSSs) in a series of strongly absorbing model spin-coated polymer films which are amorphous, such as poly(ethylene terephthalate), poly(trimethylene terephthalate), and poly(carbonate bisphenol A), and in a weaker absorbing polymer, such as semicrystalline poly(vinylidene fluoride), over a narrow range of fluences. Irradiation was performed with pulses of 6 ns at 266 nm, and LIPSSs with period lengths similar to the laser wavelength and parallel to the laser polarization direction are formed by devitrification of the film surface at temperatures above the characteristic glass transition temperature of the polymers. No crystallization of the surface is induced by laser irradiation, and crystallinity of the material prevents LIPSS formation. The structural information obtained by both atomic force microscopy and grazing incidence small-angle X-ray scattering (GISAXS) correlates satisfactorily. Comparison of experimental and simulated GISAXS patterns suggests that LIPSSs can be well described considering a quasi-one-dimensional paracrystalline lattice and that irradiation parameters have an influence on the order of such a lattice.

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.

Heralded entangling quantum gate via cavity-assisted photon scattering

NASA Astrophysics Data System (ADS)

Borges, Halyne S.; Rossatto, Daniel Z.; Luiz, Fabrício S.; Villas-Boas, Celso J.

2018-01-01

We theoretically investigate the generation of heralded entanglement between two identical atoms via cavity-assisted photon scattering in two different configurations, namely, either both atoms confined in the same cavity or trapped into locally separated ones. Our protocols are given by a very simple and elegant single-step process, the key mechanism of which is a controlled-phase-flip gate implemented by impinging a single photon on single-sided cavities. In particular, when the atoms are localized in remote cavities, we introduce a single-step parallel quantum circuit instead of the serial process extensively adopted in the literature. We also show that such parallel circuit can be straightforwardly applied to entangle two macroscopic clouds of atoms. Both protocols proposed here predict a high entanglement degree with a success probability close to unity for state-of-the-art parameters. Among other applications, our proposal and its extension to multiple atom-cavity systems step toward a suitable route for quantum networking, in particular for quantum state transfer, quantum teleportation, and nonlocal quantum memory.

Effects of quantum coherence and interference in atoms near nanoparticles

NASA Astrophysics Data System (ADS)

Dhayal, Suman; Rostovtsev, Yuri V.

2016-04-01

Optical properties of ensembles of realistic quantum emitters coupled to plasmonic systems are studied by using adequate models that can take into account full atomic geometry. In particular, the coherent effects such as forming "dark states," optical pumping, coherent Raman scattering, and the stimulated Raman adiabatic passage (STIRAP) are revisited in the presence of metallic nanoparticles. It is shown that the dark states are still formed but they have more complicated structure, and the optical pumping and the STIRAP cannot be employed in the vicinity of plasmonic nanostructures. Also, there is a huge difference in the behavior of the local atomic polarization and the atomic polarization averaged over an ensemble of atoms homogeneously spread near nanoparticles. The average polarization is strictly related to the polarization induced by the external field, while the local polarization can be very different from the one induced by the external field. This is important for the excitation of single molecules, e.g., different components of scattering from single molecules can be used for their efficient detection.

Identification of donor deactivation centers in heavily As-doped Si using time-of-flight medium-energy ion scattering spectroscopy

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

Min, Won Ja; Park, Kyungsu; Yu, Kyu-Sang

2015-10-07

Electrically-inactive arsenic (As) complexes in silicon are investigated using time-of-flight medium-energy ion scattering spectroscopy. In heavily As-doped Si, the As atoms that are segregated in the Si interface region just below the SiO{sub 2} are found to be in interstitial forms (As{sub i}), while the As atoms in the bulk Si region are found to be in the substitutional form (As{sub Si}). Despite the substitutional form of As, most of the As are found to be electrically inactive in the bulk region, and we identify the As to be in the form of a 〈111〉-oriented As{sub Si}-Si-vacancy (As{sub Si}-V{sub Si})more » complex. The As{sub i} atoms in the interface Si region are found to exist together with Si-interstitial atoms (Si{sub i}), suggesting that the As{sub i} atoms in the interface Si region accompany the Si{sub i} atoms.« less

The use of neutron scattering to determine the functional structure of glycoside hydrolase.

PubMed

Nakamura, Akihiko; Ishida, Takuya; Samejima, Masahiro; Igarashi, Kiyohiko

2016-10-01

Neutron diffraction provides different information from X-ray diffraction, because neutrons are scattered by atomic nuclei, whereas X-rays are scattered by electrons. One of the key advantages of neutron crystallography is the ability to visualize hydrogen and deuterium atoms, making it possible to observe the protonation state of amino acid residues, hydrogen bonds, networks of water molecules and proton relay pathways in enzymes. But, because of technical difficulties, less than 100 enzyme structures have been evaluated by neutron crystallography to date. In this review, we discuss the advantages and disadvantages of neutron crystallography as a tool to investigate the functional structure of glycoside hydrolases, with some examples. Copyright © 2016 Elsevier Ltd. All rights reserved.

Variational principle for scattering of light by dielectric particles

NASA Technical Reports Server (NTRS)

Yung, Y. L.

1978-01-01

Consideration is given to the work of Purcell and Pennypacker (1973) where a dielectric particle is taken to be an aggregate of N polarizable elements mounted on a cubic lattice. The simultaneous equations which result from the scattering problem are presented. This theory has been discussed in the case of nonspherical and inhomogeneous objects whose dimensions are smaller than or comparable to the wavelength of incident light. A more precise numerical treatment is derived for further progress. The variational principle is invoked and the practical limit for the current version of the scheme is a dipole array on the order of 10,000 atoms. Limits to the scattering parameter due to the phase difference between neighboring atoms are discussed.

Observation of long phase-coherence length in epitaxial La-doped CdO thin films

NASA Astrophysics Data System (ADS)

Yun, Yu; Ma, Yang; Tao, Songsheng; Xing, Wenyu; Chen, Yangyang; Su, Tang; Yuan, Wei; Wei, Jian; Lin, Xi; Niu, Qian; Xie, X. C.; Han, Wei

2017-12-01

The search for long electron phase-coherence length, which is the length that an electron can keep its quantum wavelike properties, has attracted considerable interest in the last several decades. Here, we report the long phase-coherence length of ˜3.7 μm in La-doped CdO thin films at 2 K. Systematical investigations of the La doping and the temperature dependences of the electron mobility and the electron phase-coherence length reveal contrasting scattering mechanisms for these two physical properties. Furthermore, these results show that the oxygen vacancies could be the dominant scatters in CdO thin films that break the electron phase coherence, which would shed light on further investigation of phase-coherence properties in oxide materials.

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

Levin, I.; Krayzman, V.; Woicik, J. C.

Local structures in cubic perovskite-type (Ba 0.6Bi 0.4)(Ti 0.6Sc 0.4)O 3 solid solutions that exhibit reentrant dipole glass behavior have been studied with variable-temperature x-ray/neutron total scattering, extended x-ray absorption fine structure, and electron diffraction methods. Simultaneous fitting of these data using a reverse Monte Carlo algorithm provided instantaneous atomic configurations, which have been used to extract local displacements of the constituent species. The smaller Bi and Ti atoms exhibit probability density distributions that consist of 14 and 8 split sites, respectively. In contrast, Ba and Sc feature single-site distributions. The multisite distributions arise from large and strongly anisotropic off-centermore » displacements of Bi and Ti. The cation displacements are correlated over a short range, with a correlation length limited by chemical disorder. The magnitudes of these displacements and their anisotropy, which are largely determined by local chemistry, change relatively insignificantly on cooling from room temperature. The structure features a nonrandom distribution of local polarization with low-dimensional polar clusters that are several unit cells in size. In situ measurements of atomic pair-distribution function under applied electric field were used to study field-induced changes in the local structure; however, no significant effects besides lattice expansion in the direction of the field could be observed up to electric-field values of 4 kVmm -1.« less

Bond-length relaxation in crystalline Si1-xGex alloys: An extended x-ray-absorption fine-structure study

NASA Astrophysics Data System (ADS)

Kajiyama, Hiroshi; Muramatsu, Shin-Ichi; Shimada, Toshikazu; Nishino, Yoichi

1992-06-01

Extended x-ray-absorption fine-structure spectra for crystalline Si1-xGex alloys, measured at the K edge of Ge at room temperature, are analyzed with a curve-fitting method based on the spherical-wave approximation. The Ge-Ge and Ge-Si bond lengths, coordination numbers of Ge and Si atoms around a Ge atom, and Debye-Waller factors of Ge and Si atoms are obtained. It is shown that Ge-Ge and Ge-Si bonds relax completely, for all Ge concentrations of their study, while the lattice constant varies monotonically, following Vegard's law. As noted by Bragg and later by Pauling and Huggins, the Ge-Ge and Ge-Si bond lengths are close to the sum of their constituent-element atomic radii: nearly 2.45 Å for Ge-Ge bonds and 2.40 Å for Ge-Si bonds. A study on the coordination around a Ge atom in the alloys revealed that Ge and Si atoms mix randomly throughout the compositional range studied.

Correlation of atomic packing with the boson peak in amorphous alloys

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

Yang, W. M.; Key Laboratory of Magnetic Materials and Devices, Ningbo Institute of Materials Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201; School of Materials Science and Engineering, Southeast University, Nanjing 211189

2014-09-28

Boson peaks (BP) have been observed from phonon specific heats in 10 studied amorphous alloys. Two Einstein-type vibration modes were proposed in this work and all data can be fitted well. By measuring and analyzing local atomic structures of studied amorphous alloys and 56 reported amorphous alloys, it is found that (a) the BP originates from local harmonic vibration modes associated with the lengths of short-range order (SRO) and medium-range order (MRO) in amorphous alloys, and (b) the atomic packing in amorphous alloys follows a universal scaling law, i.e., the ratios of SRO and MRO lengths to solvent atomic diametermore » are 3 and 7, respectively, which exact match with length ratios of BP vibration frequencies to Debye frequency for the studied amorphous alloys. This finding provides a new perspective for atomic packing in amorphous materials, and has significant implications for quantitative description of the local atomic orders and understanding the structure-property relationship.« less

Direct measurements of fluorine atom concentration, gain length and small signal gain in an hydrogen fluoride overtone laser

NASA Astrophysics Data System (ADS)

Wisniewski, Charles F.; Hewett, Kevin B.; Manke, Gerald C., II; Randall Truman, C.; Hager, Gordon D.

2003-03-01

Experimental techniques have been developed to directly measure the concentration of fluorine atoms, the gain length and the small signal gain in a hydrogen fluoride 5 cm slit nozzle laser. A gas phase titration technique was utilized to measure the fluorine atom concentration using HCl as the titrant. The gain length was measured using a pitot probe to locate the interface of the primary flow with the high Mach number shroud flows. A tunable diode laser was utilized to perform small signal gain measurements on HF overtone ( ν=2→0) transitions.

Search For ɛ-Bound Nuclei

NASA Astrophysics Data System (ADS)

Machner, H.

2011-10-01

The η meson can be bound to atomic nuclei. Experimental search is discussed in the form of final state interaction for the reactions dp→3Heη and dd→4Heη. For the latter case tensor polarized deuterons were used in order to extract the s-wave strength. For both reactions complex scattering lengths are deduced: In a two-nucleon transfer reaction under quasi-free conditions, p27Al→3HeX, was investigated. The system X can be the bound 25Mg⊗η at rest. When a possible decay of an intermediate N*(1535) is required, a highly significant bump shows up in the missing mass spectrum. The data give for a bound state a binding energy of 13.3±1.6 MeV and a width of σ = 4.4±1.3 MeV.

Avoiding Steric Congestion in Dendrimer Growth through Proportionate Branching. A Twist on da Vinci's Rule of Tree Branching

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

Yue, Xuyi; Taraban, Marc B.; Hyland, Laura L.

2012-10-05

In making defect-free macromolecules, the challenge occurs during chemical synthesis. This challenge is especially pronounced in dendrimer synthesis where exponential growth quickly leads to steric congestion. To overcome this difficulty, proportionate branching in dendrimer growth is proposed. In proportionate branching, both the number and the length of branches increase exponentially but in opposite directions to mimic tree growth. The effectiveness of this strategy is demonstrated through the synthesis of a fluorocarbon dendron containing 243 chemically identical fluorine atoms with a MW of 9082 Da. Monodispersity is confirmed by nuclear magnetic resonance spectroscopy, mass spectrometry, and small-angle X-ray scattering. Moreover, growingmore » different parts proportionately, as nature does, could be a general strategy to achieve defect-free synthesis of macromolecules.« less

Thermoplastic polyurethanes with controlled morphology based on methylenediphenyldiisocyanate/isosorbide/butanediol hard segments: Thermoplastic polyurethanes with controlled morphology

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

Javni, Ivan; Bilić, Olivera; Bilić, Nikola

2015-06-30

Isosorbide, a cyclic, rigid and renewable diol was used as a chain extender in two series of thermoplastic polyurethanes. Isosorbide was used in combination with butane diol or alone to examine the effects on polyurethane morphology. Two series of materials were prepared -one with dispersed hard domains in the matrix of polytetramethylene ether glycol soft segments of molecular weight 1400 (at 70% soft segment concentration-SSC) and the other with co-continuous soft and hard phases at 50% SSC. Morphology of materials was studied by optical and atomic force microscopy, as well as with ultra small angle x-ray scattering (USAXS). The radiusmore » of spherical hard domains, correlation lengths, mean separation distances and boundary layer thickness were measured as a function of isosorbide content.« less

Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory

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

Weathersby, S. P.; Brown, G.; Chase, T. F.

Ultrafast electron probes are powerful tools, complementary to x-ray free-electron lasers, used to study structural dynamics in material, chemical, and biological sciences. High brightness, relativistic electron beams with femtosecond pulse duration can resolve details of the dynamic processes on atomic time and length scales. SLAC National Accelerator Laboratory recently launched the Ultrafast Electron Diffraction (UED) and microscopy Initiative aiming at developing the next generation ultrafast electron scattering instruments. As the first stage of the Initiative, a mega-electron-volt (MeV) UED system has been constructed and commissioned to serve ultrafast science experiments and instrumentation development. The system operates at 120-Hz repetition ratemore » with outstanding performance. In this paper, we report on the SLAC MeV UED system and its performance, including the reciprocal space resolution, temporal resolution, and machine stability.« less

Mega-electron-volt ultrafast electron diffraction at SLAC National Accelerator Laboratory.

PubMed

Weathersby, S P; Brown, G; Centurion, M; Chase, T F; Coffee, R; Corbett, J; Eichner, J P; Frisch, J C; Fry, A R; Gühr, M; Hartmann, N; Hast, C; Hettel, R; Jobe, R K; Jongewaard, E N; Lewandowski, J R; Li, R K; Lindenberg, A M; Makasyuk, I; May, J E; McCormick, D; Nguyen, M N; Reid, A H; Shen, X; Sokolowski-Tinten, K; Vecchione, T; Vetter, S L; Wu, J; Yang, J; Dürr, H A; Wang, X J

2015-07-01

Ultrafast electron probes are powerful tools, complementary to x-ray free-electron lasers, used to study structural dynamics in material, chemical, and biological sciences. High brightness, relativistic electron beams with femtosecond pulse duration can resolve details of the dynamic processes on atomic time and length scales. SLAC National Accelerator Laboratory recently launched the Ultrafast Electron Diffraction (UED) and microscopy Initiative aiming at developing the next generation ultrafast electron scattering instruments. As the first stage of the Initiative, a mega-electron-volt (MeV) UED system has been constructed and commissioned to serve ultrafast science experiments and instrumentation development. The system operates at 120-Hz repetition rate with outstanding performance. In this paper, we report on the SLAC MeV UED system and its performance, including the reciprocal space resolution, temporal resolution, and machine stability.

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.

Scattering of particles in the presence of harmonic confinement perturbed by a complex absorbing potential

NASA Astrophysics Data System (ADS)

Maghari, A.; Kermani, M. M.

2018-04-01

A system of two interacting atoms confined in 1D harmonic trap and perturbed by an absorbing boundary potential is studied using the Lippmann-Schwinger formalism. The atom-atom interaction potential was considered as a nonlocal separable model. The perturbed absorbing boundary potential was also assumed in the form of Scarf II complex absorbing potential. The model is used for the study of 1D optical lattices that support the trapping of a pair atom within a unit cell. Moreover, it allows to describe the scattering particles in a tight smooth trapping surface and to analyze the bound and resonance states. The analytical expressions for wavefunctions and transition matrix as well as the absorption probabilities are calculated. A demonstration of how the complex absorbing potential affecting the bound states and resonances of particles confined in a harmonic trap is described.

Cooperative resonances in light scattering from two-dimensional atomic arrays

NASA Astrophysics Data System (ADS)

Shahmoon, Ephraim; Wild, Dominik; Lukin, Mikhail; Yelin, Susanne

2017-04-01

We consider light scattering off a two-dimensional (2D) dipolar array and show how it can be tailored by properly choosing the lattice constant of the order of the incident wavelength. In particular, we demonstrate that such arrays can shape the emission pattern from an individual quantum emitter into a well-defined, collimated beam, and operate as a nearly perfect mirror for a wide range of incident angles and frequencies. These results can be understood in terms of the cooperative resonances of the surface modes supported by the 2D array. Experimental realizations are discussed, using ultracold arrays of trapped atoms and excitons in 2D semiconductor materials, as well as potential applications ranging from atomically thin metasurfaces to single photon nonlinear optics and nanomechanics. We acknowledge the financial support of the NSF and the MIT-Harvard Center for Ultracold Atoms.

PHYSICAL EFFECTS OCCURRING DURING GENERATION AND AMPLIFICATION OF LASER RADIATION: Self-induced resonance under conditions of radiative equilibrium of quasienergy states in a three-level system

NASA Astrophysics Data System (ADS)

Sarkisyan, M. A.

1989-02-01

An analysis is made of the interaction of a three-level "cascade" atomic system with a resonant laser field. An investigation is made of the dynamics of the populations of the quasienergy states and of the atomic levels over times greater than the spontaneous transition times. In the steady-state regime the distribution of atoms over various quasienergy states is obtained under two-photon resonance conditions and for the case when all the resonances are strong. It is found that a suitable selection of the interaction parameters can establish an inversion between the quasienergy states and also due to atomic transitions. The total probability of spontaneous scattering is calculated. It is shown that, under two-photon resonance conditions, the scattering intensity increases sharply due to a self-induced resonance.

Triazolium based ionic liquid crystals: Effect of asymmetric substitution

DOE PAGES

Stappert, K.; Mudring, A. -V.

2015-01-27

A new series of ten different asymmetrical 1-dodecyl-3-alkyl-triazolium bromides, [C 12C nTr][Br], has been synthesized and their mesomorphic behavior studied by DSC (differential scanning calorimetry), POM (polarizing optical microscopy) and SAXS (small angle X-ray scattering). The influence of the chain length of the triazolium salts is investigated to explore the effect of asymmetric substitution on the phase behaviour of these compounds. For that reason, the length of one alkyl chain was varied from 14 to 1 carbon atoms (n = 14, 12, 10, 8–4, 2, 1) while the other alkyl chain was kept at 12 carbon. Single crystal X-ray structuremore » analysis of compounds [C 12C 12Tr][Br] and [C 12C 5Tr][Br] reveal that the cations adopt a U-shaped conformation with head-to-head arranged triazolium cores. In contrast, for [C 12C 1Tr][Br], a rod like shape of the cation with interdigitated alkyl chains is found. All investigated compounds are thermotropic liquid crystals. Higher ordered smectic phases, smectic C as well as smectic A phases were found depending on the chain length of the cation. Moreover, the clearing point temperature decreases with decreasing chain length with exception for the n-dodecyl-3-alkyltrizoliumbromides with the two shortest alkyl chains, [C 12C 2Tr][Br] and [C 12C 1Tr][Br], which present higher clearing temperatures (86 and 156 °C) and are structurally distinctly different.« less

ANTICOOL: Simulating positron cooling and annihilation in atomic gases

NASA Astrophysics Data System (ADS)

Green, D. G.

2018-03-01

The Fortran program ANTICOOL, developed to simulate positron cooling and annihilation in atomic gases for positron energies below the positronium-formation threshold, is presented. Given positron-atom elastic scattering phase shifts, normalised annihilation rates Zeff, and γ spectra as a function of momentum k, ANTICOOL enables the calculation of the positron momentum distribution f(k , t) as a function of time t, the time-varying normalised annihilation rate Z¯eff(t) , the lifetime spectrum and time-varying annihilation γ spectra. The capability and functionality of the program is demonstrated via a tutorial-style example for positron cooling and annihilation in room temperature helium gas, using accurate scattering and annihilation cross sections and γ spectra calculated using many-body theory as input.

Anomalous Diffraction in Crystallographic Phase Evaluation

PubMed Central

Hendrickson, Wayne A.

2014-01-01

X-ray diffraction patterns from crystals of biological macromolecules contain sufficient information to define atomic structures, but atomic positions are inextricable without having electron-density images. Diffraction measurements provide amplitudes, but the computation of electron density also requires phases for the diffracted waves. The resonance phenomenon known as anomalous scattering offers a powerful solution to this phase problem. Exploiting scattering resonances from diverse elements, the methods of multiwavelength anomalous diffraction (MAD) and single-wavelength anomalous diffraction (SAD) now predominate for de novo determinations of atomic-level biological structures. This review describes the physical underpinnings of anomalous diffraction methods, the evolution of these methods to their current maturity, the elements, procedures and instrumentation used for effective implementation, and the realm of applications. PMID:24726017

Experimental evaluation of effective atomic number of composite materials using back-scattering of gamma photons

NASA Astrophysics Data System (ADS)

Singh, Inderjeet; Singh, Bhajan; Sandhu, B. S.; Sabharwal, Arvind D.

2017-04-01

A method has been presented for calculation of effective atomic number (Zeff) of composite materials, by using back-scattering of 662 keV gamma photons obtained from a 137Cs mono-energetic radioactive source. The present technique is a non-destructive approach, and is employed to evaluate Zeff of different composite materials, by interacting gamma photons with semi-infinite material in a back-scattering geometry, using a 3″ × 3″ NaI(Tl) scintillation detector. The present work is undertaken to study the effect of target thickness on intensity distribution of gamma photons which are multiply back-scattered from targets (pure elements) and composites (mixtures of different elements). The intensity of multiply back-scattered events increases with increasing target thickness and finally saturates. The saturation thickness for multiply back-scattered events is used to assign a number (Zeff) for multi-element materials. Response function of the 3″ × 3″ NaI(Tl) scintillation detector is applied on observed pulse-height distribution to include the contribution of partially absorbed photons. The reduced value of signal-to-noise ratio interprets the increase in multiply back-scattered data of a response corrected spectrum. Data obtained from Monte Carlo simulations and literature also support the present experimental results.

New diagnostic methods for laser plasma- and microwave-enhanced combustion

PubMed Central

Miles, Richard B; Michael, James B; Limbach, Christopher M; McGuire, Sean D; Chng, Tat Loon; Edwards, Matthew R; DeLuca, Nicholas J; Shneider, Mikhail N; Dogariu, Arthur

2015-01-01

The study of pulsed laser- and microwave-induced plasma interactions with atmospheric and higher pressure combusting gases requires rapid diagnostic methods that are capable of determining the mechanisms by which these interactions are taking place. New rapid diagnostics are presented here extending the capabilities of Rayleigh and Thomson scattering and resonance-enhanced multi-photon ionization (REMPI) detection and introducing femtosecond laser-induced velocity and temperature profile imaging. Spectrally filtered Rayleigh scattering provides a method for the planar imaging of temperature fields for constant pressure interactions and line imaging of velocity, temperature and density profiles. Depolarization of Rayleigh scattering provides a measure of the dissociation fraction, and multi-wavelength line imaging enables the separation of Thomson scattering from Rayleigh scattering. Radar REMPI takes advantage of high-frequency microwave scattering from the region of laser-selected species ionization to extend REMPI to atmospheric pressures and implement it as a stand-off detection method for atomic and molecular species in combusting environments. Femtosecond laser electronic excitation tagging (FLEET) generates highly excited molecular species and dissociation through the focal zone of the laser. The prompt fluorescence from excited molecular species yields temperature profiles, and the delayed fluorescence from recombining atomic fragments yields velocity profiles. PMID:26170432

Tunable zero-line modes via magnetic field in bilayer graphene

NASA Astrophysics Data System (ADS)

Wang, Ke; Qiao, Zhenhua

Zero-line modes appear in bilayer graphene at the internal boundary between two opposite vertical electrostatic confinements. These one-dimensional modes are metallic along the boundary and exhibit quantized conductance in the absence of inter-valley scattering. However, experimental results show that the conductance is around 0.5 e2/h rather than quantized. This observation can be explained from our numerical results, which suggest that the scattering between zero-line mode and bound states and the presence of atomic scale disorders that provide inter-valley scattering can effectively reduce the conductance to about 0.5 e2/h. We further find that out-of-plane magnetic field can strongly suppress these scattering mechanisms and gives rise to nearly quantized conductance. On one hand, the presence of magnetic field makes bound states become Landau levels, which reduces the scattering between zero-line mode and bound states. On the other hand, the wave function distributions of oppositely propagating zero-line modes at different valleys are spatially separated, which can strongly suppress the inter-valley scattering. Specifically speaking, the conductance can be increased to 3.2 e2/h at 8 T even when the atomic Anderson type disorders are considered.

From average to local structure: a Rietveld and an atomic pair distribution function (PDF) study of selenium clusters in zeolite-NdY.

PubMed

Abeykoon, A M Milinda; Donner, Wolfgang; Brunelli, Michela; Castro-Colin, Miguel; Jacobson, Allan J; Moss, Simon C

2009-09-23

The structure of Se particles in the approximately 13 A diameter alpha-cages of zeolite NdY has been determined by Rietveld refinement and pair distribution function (PDF) analysis of X-ray data. With the diffuse scattering subtracted an average structure comprised of an undistorted framework containing nanoclusters of 20 Se atoms is observed. The intracluster correlations and the cluster-framework correlations which give rise to diffuse scattering were modeled by using PDF analysis.

Cellulosic nanowhiskers. Theory and application of light scattering from polydisperse spheroids in the Rayleigh-Gans-Debye regime.

PubMed

Braun, Birgit; Dorgan, John R; Chandler, John P

2008-04-01

Mathematical treatment of light scattering within the Rayleigh-Gans-Debye limit for spheroids with polydispersity in both length and diameter is developed and experimentally tested using cellulosic nanowhiskers (CNW). Polydispersity indices are obtained by fitting the theoretical formfactor to experimental data. Good agreement is achieved using a polydispersity of 2.3 for the length, independent of the type of acid used. Diameter polydispersities are 2.1 and 3.0 for sulfuric and hydrochloric acids, respectively. These polydispersities allow the determination of average dimensions from the z-average mean-square radius (z) and the weight-average molecular weight (M w) easily obtained from Berry plots. For cotton linter hydrolyzed by hydrochloric acid, the average length and diameter are 244 and 22 nm. This compares to average length and diameter of 272 and 13 nm for sulfuric acid. This study establishes a new light-scattering methodology as a quick and robust tool for size characterization of polydisperse spheroidal nanoparticles.

Amphiphilic copolymers based on polyoxazoline and grape seed vegetable oil derivatives: self-assemblies and dynamic light scattering

NASA Astrophysics Data System (ADS)

Travelet, Christophe; Stemmelen, Mylène; Lapinte, Vincent; Dubreuil, Frédéric; Robin, Jean-Jacques; Borsali, Redouane

2013-06-01

The self-assembly in solution of original structures of amphiphilic partially natural copolymers based on polyoxazoline [more precisely poly(2-methyl-2-oxazoline) (POx)] and grape seed vegetable oil derivatives (linear, T-, and trident-structure) is investigated. The results show that such systems are found, using dynamic light scattering (DLS), to spontaneously self-organize into monomodal, narrow-size, and stable nanoparticles in aqueous medium. The obtained hydrodynamic diameters ( D h) range from 8.6 to 32.5 nm. Specifically, such size increases strongly with increasing natural block (i.e., lipophilic species) length due to higher hydrophobic interactions (from 10.1 nm for C19 to 19.2 nm for C57). Furthermore, increasing the polyoxazoline (i.e., hydrophilic block) length leads to a moderate linear increase of the D h-values. Therefore, the first-order size effect comes from the natural lipophilic block, whereas the characteristic size can be tuned more finely (i.e., in a second-order) by choosing appropriately the polyoxazoline length. The DLS results in terms of characteristic size are corroborated using nanoparticle tracking analysis (NTA), and also by atomic force microscopy (AFM) and transmission electron microscopy (TEM) imaging where well-defined spherical and individual nanoparticles exhibit a very good mechanical resistance upon drying. Moreover, changing the lipophilic block architecture from linear to T-shape, while keeping the same molar mass, generates a branching and thus a shrinking by a factor of 2 of the nanoparticle volume, as observed by DLS. In this paper, it is clearly shown that the self-assemblies of amphiphilic block copolymer obtained from grape seed vegetable oil derivatives (sustainable renewable resources) as well as their tunability are of great interest for biomass valorization at the nanoscale level [continuation of the article by Stemmelen et al. (Polym Chem 4:1445-1458, 2013)].

Application of low energy ion blocking for adsorption site determination of Na Atoms on a Cu(111) surface

NASA Astrophysics Data System (ADS)

Zhang, R.; Makarenko, B.; Bahrim, B.; Rabalais, J. W.

2010-07-01

Ion blocking in the low keV energy range is demonstrated to be a sensitive method for probing surface adsorption sites by means of the technique of time-of-flight scattering and recoiling spectroscopy (TOF-SARS). Adsorbed atoms can block the nearly isotropic backscattering of primary ions from surface atoms in the outmost layers of a crystal. The relative adsorption site position can be derived unambiguously by simple geometrical constructs between the adsorbed atom site and the surface atom sites. Classical ion trajectory simulations using the scattering and recoiling imaging code (SARIC) and molecular dynamics (MD) simulations provide the detailed ion trajectories. Herein we present a quantitative analysis of the blocking effects produced by sub-monolayer Na adsorbed on a Cu(111) surface at room temperature. The results show that the Na adsorption site preferences are different at different Na coverages. At a coverage θ = 0.25 monolayer, Na atoms preferentially populate the fcc threefold surface sites with a height of 2.7 ± 0.1 Å above the 1st layer Cu atoms. At a lower coverage of θ = 0.10 monolayer, there is no adsorption site preference for the Na atoms on the Cu(111) surface.

Direct observation and theory of trajectory-dependent electronic energy losses in medium-energy ion scattering.

PubMed

Hentz, A; Parkinson, G S; Quinn, P D; Muñoz-Márquez, M A; Woodruff, D P; Grande, P L; Schiwietz, G; Bailey, P; Noakes, T C Q

2009-03-06

The energy spectrum associated with scattering of 100 keV H+ ions from the outermost few atomic layers of Cu(111) in different scattering geometries provides direct evidence of trajectory-dependent electronic energy loss. Theoretical simulations, combining standard Monte Carlo calculations of the elastic scattering trajectories with coupled-channel calculations to describe inner-shell ionization and excitation as a function of impact parameter, reproduce the effects well and provide a means for far more complete analysis of medium-energy ion scattering data.

Oligosaccharide/silicon-containing block copolymers with 5 nm features for lithographic applications.

PubMed

Cushen, Julia D; Otsuka, Issei; Bates, Christopher M; Halila, Sami; Fort, Sébastien; Rochas, Cyrille; Easley, Jeffrey A; Rausch, Erica L; Thio, Anthony; Borsali, Redouane; Willson, C Grant; Ellison, Christopher J

2012-04-24

Block copolymers demonstrate potential for use in next-generation lithography due to their ability to self-assemble into well-ordered periodic arrays on the 3-100 nm length scale. The successful lithographic application of block copolymers relies on three critical conditions being met: high Flory-Huggins interaction parameters (χ), which enable formation of <10 nm features, etch selectivity between blocks for facile pattern transfer, and thin film self-assembly control. The present paper describes the synthesis and self-assembly of block copolymers composed of naturally derived oligosaccharides coupled to a silicon-containing polystyrene derivative synthesized by activators regenerated by electron transfer atom transfer radical polymerization. The block copolymers have a large χ and a low degree of polymerization (N) enabling formation of 5 nm feature diameters, incorporate silicon in one block for oxygen reactive ion etch contrast, and exhibit bulk and thin film self-assembly of hexagonally packed cylinders facilitated by a combination of spin coating and solvent annealing techniques. As observed by small angle X-ray scattering and atomic force microscopy, these materials exhibit some of the smallest block copolymer features in the bulk and in thin films reported to date.

Conformal SiO2 coating of sub-100 nm diameter channels of polycarbonate etched ion-track channels by atomic layer deposition

PubMed Central

Sobel, Nicolas; Lukas, Manuela; Spende, Anne; Stühn, Bernd; Trautmann, Christina

2015-01-01

Summary Polycarbonate etched ion-track membranes with about 30 µm long and 50 nm wide cylindrical channels were conformally coated with SiO2 by atomic layer deposition (ALD). The process was performed at 50 °C to avoid thermal damage to the polymer membrane. Analysis of the coated membranes by small angle X-ray scattering (SAXS) reveals a homogeneous, conformal layer of SiO2 in the channels at a deposition rate of 1.7–1.8 Å per ALD cycle. Characterization by infrared and X-ray photoelectron spectroscopy (XPS) confirms the stoichiometric composition of the SiO2 films. Detailed XPS analysis reveals that the mechanism of SiO2 formation is based on subsurface crystal growth. By dissolving the polymer, the silica nanotubes are released from the ion-track membrane. The thickness of the tube wall is well controlled by the ALD process. Because the track-etched channels exhibited diameters in the range of nanometres and lengths in the range of micrometres, cylindrical tubes with an aspect ratio as large as 3000 have been produced. PMID:25821688

Observation of dopant-profile independent electron transport in sub-monolayer TiO{sub x} stacked ZnO thin films grown by atomic layer deposition

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

Saha, D., E-mail: sahaphys@gmail.com, E-mail: pmisra@rrcat.gov.in; Misra, P., E-mail: sahaphys@gmail.com, E-mail: pmisra@rrcat.gov.in; Joshi, M. P.

2016-01-18

Dopant-profile independent electron transport has been observed through a combined study of temperature dependent electrical resistivity and magnetoresistance measurements on a series of Ti incorporated ZnO thin films with varying degree of static-disorder. These films were grown by atomic layer deposition through in-situ vertical stacking of multiple sub-monolayers of TiO{sub x} in ZnO. Upon decreasing ZnO spacer layer thickness, electron transport smoothly evolved from a good metallic to an incipient non-metallic regime due to the intricate interplay of screening of spatial potential fluctuations and strength of static-disorder in the films. Temperature dependent phase-coherence length as extracted from the magnetotransport measurementmore » revealed insignificant role of inter sub-monolayer scattering as an additional channel for electron dephasing, indicating that films were homogeneously disordered three-dimensional electronic systems irrespective of their dopant-profiles. Results of this study are worthy enough for both fundamental physics perspective and efficient applications of multi-stacked ZnO/TiO{sub x} structures in the emerging field of transparent oxide electronics.« less

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.

Quantum transport modelling of silicon nanobeams using heterogeneous computing scheme

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

Harb, M., E-mail: harbm@physics.mcgill.ca; Michaud-Rioux, V., E-mail: vincentm@physics.mcgill.ca; Guo, H., E-mail: guo@physics.mcgill.ca

We report the development of a powerful method for quantum transport calculations of nanowire/nanobeam structures with large cross sectional area. Our approach to quantum transport is based on Green's functions and tight-binding potentials. A linear algebraic formulation allows us to harness the massively parallel nature of Graphics Processing Units (GPUs) and our implementation is based on a heterogeneous parallel computing scheme with traditional processors and GPUs working together. Using our software tool, the electronic and quantum transport properties of silicon nanobeams with a realistic cross sectional area of ∼22.7 nm{sup 2} and a length of ∼81.5 nm—comprising 105 000 Si atoms and 24 000more » passivating H atoms in the scattering region—are investigated. The method also allows us to perform significant averaging over impurity configurations—all possible configurations were considered in the case of single impurities. Finally, the effect of the position and number of vacancy defects on the transport properties was considered. It is found that the configurations with the vacancies lying closer to the local density of states (LDOS) maxima have lower transmission functions than the configurations with the vacancies located at LDOS minima or far away from LDOS maxima, suggesting both a qualitative method to tune or estimate optimal impurity configurations as well as a physical picture that accounts for device variability. Finally, we provide performance benchmarks for structures as large as ∼42.5 nm{sup 2} cross section and ∼81.5 nm length.« less

Length and Dimensional Measurements at NIST

PubMed Central

Swyt, Dennis A.

2001-01-01

This paper discusses the past, present, and future of length and dimensional measurements at NIST. It covers the evolution of the SI unit of length through its three definitions and the evolution of NBS-NIST dimensional measurement from early linescales and gage blocks to a future of atom-based dimensional standards. Current capabilities include dimensional measurements over a range of fourteen orders of magnitude. Uncertainties of measurements on different types of material artifacts range down to 7×10−8 m at 1 m and 8 picometers (pm) at 300 pm. Current work deals with a broad range of areas of dimensional metrology. These include: large-scale coordinate systems; complex form; microform; surface finish; two-dimensional grids; optical, scanning-electron, atomic-force, and scanning-tunneling microscopies; atomic-scale displacement; and atom-based artifacts. PMID:27500015

Two- and three-dimensional growth of Bi on i -Al-Pd-Mn studied using medium-energy ion scattering

NASA Astrophysics Data System (ADS)

Noakes, T. C. Q.; Bailey, P.; McConville, C. F.; Draxler, M.; Walker, M.; Brown, M. G.; Hentz, A.; Woodruff, D. P.; Lograsso, T. A.; Ross, A. R.; Smerdon, J. A.; Leung, L.; McGrath, R.

2010-11-01

Recent work on the growth of thin metal films on quasicrystalline substrates has indicated the formation of so-called “magic height” islands with multiples of 4 atomic layers (AL) arising as a result of quantum size effects, which lead to enhanced stability. Here the results of a study are reported of Bi deposition on i -Al-Pd-Mn using medium-energy ion scattering to characterize the island thickness and the structural arrangement of Bi atoms within the islands. In addition, data were taken from annealed surfaces after Bi cluster desorption to leave a single aperiodic monolayer of Bi at the surface. Scattered-ion energy spectra from the Bi islands are consistent with a single Bi monolayer covered with mainly 4 AL islands for both 1.8 and 3.2 monolayer equivalent coverages but with some occupation of 2 and 8 Al islands as well. The angular dependence of the scattered-ion intensity (“blocking curve”) from Bi has been compared with simulations for various models of both rhombohedral Bi and a distorted “black-phosphorus”-like structure. The data demonstrate bilayer formation within the Bi islands. In the case of the aperiodic Bi monolayer, the blocking curves from substrate scattering are found to be inconsistent with two high-symmetry sites on the quasicrystalline surface that theory indicates are energetically favorable but do not exclude the formation of pentagonal arrangements of Bi atoms as seen in other recent experimental work.

Influence of Scattering on Ballistic Nanotransistor Design

NASA Technical Reports Server (NTRS)

Anantram, M. P.; Svizhenko, Alexei; Biegel, Bryan, A. (Technical Monitor)

2002-01-01

Importance of this work: (1) This is the first work to model electron-phonon scattering within a quantum mechanical approach to nanotransistors. The simulations use the non equilibrium Green's function method. (2) A simple equation which captures the importance of scattering as a function of the spatial location from source to drain is presented. This equation helps interpret the numerical simulations. (3) We show that the resistance per unit length in the source side is much larger than in the drain side. Thus making scattering in the source side of the device much more important than scattering in the drain side. Numerical estimates of ballisticity for 10nm channel length devices in the presence of of electron-phonon scattering are given. Based on these calculations, we propose that to achieve a larger on-current in nanotransistors, it is crucial to keep the highly doped source extension region extremely small, even if this is at the cost of making the highly doped drain extension region longer.

Geometrical-optics approximation of forward scattering by gradient-index spheres.

PubMed

Li, Xiangzhen; Han, Xiang'e; Li, Renxian; Jiang, Huifen

2007-08-01

By means of geometrical optics we present an approximation method for acceleration of the computation of the scattering intensity distribution within a forward angular range (0-60 degrees ) for gradient-index spheres illuminated by a plane wave. The incident angle of reflected light is determined by the scattering angle, thus improving the approximation accuracy. The scattering angle and the optical path length are numerically integrated by a general-purpose integrator. With some special index models, the scattering angle and the optical path length can be expressed by a unique function and the calculation is faster. This method is proved effective for transparent particles with size parameters greater than 50. It fails to give good approximation results at scattering angles whose refractive rays are in the backward direction. For different index models, the geometrical-optics approximation is effective only for forward angles, typically those less than 60 degrees or when the refractive-index difference of a particle is less than a certain value.

Stimulated Brillouin scattering continuous wave phase conjugation in step-index fiber optics.

PubMed

Massey, Steven M; Spring, Justin B; Russell, Timothy H

2008-07-21

Continuous wave (CW) stimulated Brillouin scattering (SBS) phase conjugation in step-index optical fibers was studied experimentally and modeled as a function of fiber length. A phase conjugate fidelity over 80% was measured from SBS in a 40 m fiber using a pinhole technique. Fidelity decreases with fiber length, and a fiber with a numerical aperture (NA) of 0.06 was found to generate good phase conjugation fidelity over longer lengths than a fiber with 0.13 NA. Modeling and experiment support previous work showing the maximum interaction length which yields a high fidelity phase conjugate beam is inversely proportional to the fiber NA(2), but find that fidelity remains high over much longer fiber lengths than previous models calculated. Conditions for SBS beam cleanup in step-index fibers are discussed.

Diffusing-wave spectroscopy in a standard dynamic light scattering setup

NASA Astrophysics Data System (ADS)

Fahimi, Zahra; Aangenendt, Frank J.; Voudouris, Panayiotis; Mattsson, Johan; Wyss, Hans M.

2017-12-01

Diffusing-wave spectroscopy (DWS) extends dynamic light scattering measurements to samples with strong multiple scattering. DWS treats the transport of photons through turbid samples as a diffusion process, thereby making it possible to extract the dynamics of scatterers from measured correlation functions. The analysis of DWS data requires knowledge of the path length distribution of photons traveling through the sample. While for flat sample cells this path length distribution can be readily calculated and expressed in analytical form; no such expression is available for cylindrical sample cells. DWS measurements have therefore typically relied on dedicated setups that use flat sample cells. Here we show how DWS measurements, in particular DWS-based microrheology measurements, can be performed in standard dynamic light scattering setups that use cylindrical sample cells. To do so we perform simple random-walk simulations that yield numerical predictions of the path length distribution as a function of both the transport mean free path and the detection angle. This information is used in experiments to extract the mean-square displacement of tracer particles in the material, as well as the corresponding frequency-dependent viscoelastic response. An important advantage of our approach is that by performing measurements at different detection angles, the average path length through the sample can be varied. For measurements performed on a single sample cell, this gives access to a wider range of length and time scales than obtained in a conventional DWS setup. Such angle-dependent measurements also offer an important consistency check, as for all detection angles the DWS analysis should yield the same tracer dynamics, even though the respective path length distributions are very different. We validate our approach by performing measurements both on aqueous suspensions of tracer particles and on solidlike gelatin samples, for which we find our DWS-based microrheology data to be in good agreement with rheological measurements performed on the same samples.

Spin-interaction effects for ultralong-range Rydberg molecules in a magnetic field

NASA Astrophysics Data System (ADS)

Hummel, Frederic; Fey, Christian; Schmelcher, Peter

2018-04-01

We investigate the fine and spin structure of ultralong-range Rydberg molecules exposed to a homogeneous magnetic field. Each molecule consists of a 87Rb Rydberg atom the outer electron of which interacts via spin-dependent s - and p -wave scattering with a polarizable 87Rb ground-state atom. Our model includes also the hyperfine structure of the ground-state atom as well as spin-orbit couplings of the Rydberg and ground-state atom. We focus on d -Rydberg states and principal quantum numbers n in the vicinity of 40. The electronic structure and vibrational states are determined in the framework of the Born-Oppenheimer approximation for varying field strengths ranging from a few up to hundred Gauss. The results show that the interplay between the scattering interactions and the spin couplings gives rise to a large variety of molecular states in different spin configurations as well as in different spatial arrangements that can be tuned by the magnetic field. This includes relatively regularly shaped energy surfaces in a regime where the Zeeman splitting is large compared to the scattering interaction but small compared to the Rydberg fine structure, as well as more complex structures for both weaker and stronger fields. We quantify the impact of spin couplings by comparing the extended theory to a spin-independent model.

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

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reportedmore » properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.« less

Scattering of low-energetic atoms and molecules from a boron-doped CVD diamond surface

NASA Astrophysics Data System (ADS)

Allenbach, M.; Neuland, M. B.; Riedo, A.; Wurz, P.

2018-01-01

For the detection of low energetic neutral atoms for the remote sensing of space plasmas, charge state conversion surfaces are used to ionize the neutrals for their subsequent measurement. We investigated a boron-doped Chemical Vapor Deposition (CVD) diamond sample for its suitability to serve as a conversion surface on future space missions, such as NASA's Interstellar Mapping and Acceleration Probe. For H and O atoms incident on conversion surface with energies ranging from 195 to 1000 eV and impact angles from 6° to 15° we measured the angular scattering distributions and the ionization yields. Atomic force microscope and laser ablation ionization mass spectrometry analyses were applied to further characterize the sample. Based on a figure-of-merit, which included the ionization yield and angular scatter distribution, the B-doped CVD surface was compared to other, previously characterized conversion surfaces, including e.g. an undoped CVD diamond with a metallized backside. For particle energies below 390 eV the performance of the B-doped CVD conversion surfaces is comparable to surfaces studied before. For higher energies the figure-of-merit indicates a superior performance. From our studies we conclude that the B-doped CVD diamond sample is well suited for its application on future space missions.

Imaging the effects of individual zinc impurity atoms on superconductivity in Bi2Sr2CaCu2O8+delta

PubMed

Pan; Hudson; Lang; Eisaki; Uchida; Davis

2000-02-17

Although the crystal structures of the copper oxide high-temperature superconductors are complex and diverse, they all contain some crystal planes consisting of only copper and oxygen atoms in a square lattice: superconductivity is believed to originate from strongly interacting electrons in these CuO2 planes. Substituting a single impurity atom for a copper atom strongly perturbs the surrounding electronic environment and can therefore be used to probe high-temperature superconductivity at the atomic scale. This has provided the motivation for several experimental and theoretical studies. Scanning tunnelling microscopy (STM) is an ideal technique for the study of such effects at the atomic scale, as it has been used very successfully to probe individual impurity atoms in several other systems. Here we use STM to investigate the effects of individual zinc impurity atoms in the high-temperature superconductor Bi2Sr2CaCu2O8+delta. We find intense quasiparticle scattering resonances at the Zn sites, coincident with strong suppression of superconductivity within approximately 15 A of the scattering sites. Imaging of the spatial dependence of the quasiparticle density of states in the vicinity of the impurity atoms reveals the long-sought four-fold symmetric quasiparticle 'cloud' aligned with the nodes of the d-wave superconducting gap which is believed to characterize superconductivity in these materials.

Neutron Scattering Studies on Large Length Scale Sample Structures

NASA Astrophysics Data System (ADS)

Feng, Hao

Neutron scattering can be used to study structures of matter. Depending on the interested sample properties, different scattering techniques can be chosen. Neutron reflectivity is more often used to detect in-depth profile of layered structures and the interfacial roughness while transmission is more sensitive to sample bulk properties. Neutron Reflectometry (NR) technique, one technique in neutron reflectivity, is first discussed in this thesis. Both specular reflectivity and the first order Bragg intensity were measured in the NR experiment with a diffraction grating in order to study the in-depth and the lateral structure of a sample (polymer) deposited on the grating. However, the first order Bragg intensity solely is sometimes inadequate to determine the lateral structure and high order Bragg intensities are difficult to measure using traditional neutron scattering techniques due to the low brightness of the current neutron sources. Spin Echo Small Angle Neutron Scattering (SESANS) technique overcomes this resolution problem by measuring the Fourier transforms of all the Bragg intensities, resulting in measuring the real-space density correlations of samples and allowing the accessible length scale from few-tens of nanometers to several microns. SESANS can be implemented by using two pairs of magnetic Wollaston prims (WP) and the accessible length scale is proportional to the magnetic field intensity in WPs. To increase the magnetic field and thus increase the accessible length scale, an apparatus named Superconducting Wollaston Prisms (SWP) which has a series of strong, well-defined shaped magnetic fields created by superconducting coils was developed in Indiana University in 2016. Since then, various kinds of optimization have been implemented, which are addressed in this thesis. Finally, applications of SWPs in other neutron scattering techniques like Neutron Larmor Diffraction (NLD) are discussed.

Huygens-Fresnel picture for electron-molecule elastic scattering★

NASA Astrophysics Data System (ADS)

Baltenkov, Arkadiy S.; Msezane, Alfred Z.

2017-11-01

The elastic scattering cross sections for a slow electron by C2 and H2 molecules have been calculated within the framework of the non-overlapping atomic potential model. For the amplitudes of the multiple electron scattering by a target the wave function of the molecular continuum is represented as a combination of a plane wave and two spherical waves generated by the centers of atomic spheres. This wave function obeys the Huygens-Fresnel principle according to which the electron wave scattering by a system of two centers is accompanied by generation of two spherical waves; their interaction creates a diffraction pattern far from the target. Each of the Huygens waves, in turn, is a superposition of the partial spherical waves with different orbital angular momenta l and their projections m. The amplitudes of these partial waves are defined by the corresponding phases of electron elastic scattering by an isolated atomic potential. In numerical calculations the s- and p-phase shifts are taken into account. So the number of interfering electron waves is equal to eight: two of which are the s-type waves and the remaining six waves are of the p-type with different m values. The calculation of the scattering amplitudes in closed form (rather than in the form of S-matrix expansion) is reduced to solving a system of eight inhomogeneous algebraic equations. The differential and total cross sections of electron scattering by fixed-in-space molecules and randomly oriented ones have been calculated as well. We conclude by discussing the special features of the S-matrix method for the case of arbitrary non-spherical potentials. Contribution to the Topical Issue "Low energy positron and electron interactions", edited by James Sullivan, Ron White, Michael Bromley, Ilya Fabrikant, and David Cassidy.

Resolving the structure of Ti 3C 2T x MXenes through multilevel structural modeling of the atomic pair distribution function

DOE PAGES

Wesolowski, David J.; Wang, Hsiu -Wen; Page, Katharine L.; ...

2015-12-08

MXenes are a recently discovered family of two-dimensional (2D) early transition metal carbides and carbonitrides, which have already shown many attractive properties and great promise in energy storage and many other applications. But, a complex surface chemistry and small coherence length have been obstacles in some applications of MXenes, also limiting the accuracy of predictions of their properties. In this study, we describe and benchmark a novel way of modeling layered materials with real interfaces (diverse surface functional groups and stacking order between the adjacent monolayers) against experimental data. The structures of three kinds of Ti 3C 2T x MXenesmore » (T stands for surface terminating species, including O, OH, and F) produced under different synthesis conditions were resolved for the first time using atomic pair distribution function obtained by high-quality neutron total scattering. We present the true nature of the material can be easily captured with the sensitivity of neutron scattering to the surface species of interest and the detailed “third-generation” structure model. The modeling approach leads to new understanding of MXene structural properties and can replace the currently used idealized models in predictions of a variety of physical, chemical, and functional properties of Ti 3C 2-based MXenes. Moreover, the developed models can be employed to guide the design of new MXene materials with selected surface termination and controlled contact angle, catalytic, optical, electrochemical, and other properties. Finally, we suggest that the multilevel structural modeling should form the basis for a generalized methodology on modeling diffraction and pair distribution function data for 2D and layered materials.« less

Calculating Rayleigh scattering amplitudes from 100 eV to 10 MeV. [100 eV to 10 MeV

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

Parker, J.C.; Reynaud, G.W.; Botto, D.J.

1979-05-01

An attempt is made to explain how to calculate the contribution to elastic photon-atom scattering due to Rayleigh scattering (the scattering off bound electrons) in the photon energy range 100 eV less than or equal to W less than or equal to 10 MeV. All intermediate calculations are described, including the calculation of the potential, bound state wave functions, matrix elements, and final cross sections. 12 references. (JFP)

Toroidal silicon polarization analyzer for resonant inelastic x-ray scattering

DOE PAGES

Gao, Xuan; Casa, Diego; Kim, Jungho; ...

2016-08-15

Resonant Inelastic X-ray Scattering (RIXS) is a powerful probe for studying electronic excitations in materials. Standard high energy RIXS measurements do not measure the polarization of the scattered x-rays, which is unfortunate since it carries information about the nature and symmetry of the excitations involved in the scattering process. Moreover we report the fabrication of thin Si-based polarization analyzers with a double-concave toroidal surface, useful for L-edge RIXS studies in heavier atoms such as the 5-d transition metals.

Free fatty acids chain length distribution affects the permeability of skin lipid model membranes.

PubMed

Uchiyama, Masayuki; Oguri, Masashi; Mojumdar, Enamul H; Gooris, Gert S; Bouwstra, Joke A

2016-09-01

The lipid matrix in the stratum corneum (SC) plays an important role in the barrier function of the skin. The main lipid classes in this lipid matrix are ceramides (CERs), cholesterol (CHOL) and free fatty acids (FFAs). The aim of this study was to determine whether a variation in CER subclass composition and chain length distribution of FFAs affect the permeability of this matrix. To examine this, we make use of lipid model membranes, referred to as stratum corneum substitute (SCS). We prepared SCS containing i) single CER subclass with either a single FFA or a mixture of FFAs and CHOL, or ii) a mixture of various CER subclasses with either a single FFA or a mixture of FFAs and CHOL. In vitro permeation studies were performed using ethyl-p-aminobenzoic acid (E-PABA) as a model drug. The flux of E-PABA across the SCS containing the mixture of FFAs was higher than that across the SCS containing a single FA with a chain length of 24 C atoms (FA C24), while the E-PABA flux was not effected by the CER composition. To select the underlying factors for the changes in permeability, the SCSs were examined by Fourier transform infrared spectroscopy (FTIR) and Small angle X-ray scattering (SAXS). All lipid models demonstrated a similar phase behavior. However, when focusing on the conformational ordering of the individual FFA chains, the shorter chain FFA (with a chain length of 16, 18 or 20 C atoms forming only 11m/m% of the total FFA level) had a higher conformational disordering, while the conformational ordering of the chains of the CER and FA C24 and FA C22 hardly did not change irrespective of the composition of the SCS. In conclusion, the conformational mobility of the short chain FFAs present only at low levels in the model SC lipid membranes has a great impact on the permeability of E-PABA. Copyright © 2016 Elsevier B.V. All rights reserved.

A high rigor temperature, not sarcomere length, determines light scattering properties and muscle colour in beef M. sternomandibularis meat and muscle fibres.

PubMed

Hughes, J; Clarke, F; Purslow, P; Warner, R

2018-05-18

Beef meat colour is impacted by both myoglobin status and the light scattering properties of the muscle, and the specific causative scattering elements of the latter are still unknown. We hypothesize that stretching muscles during rigor will generate a structure which favours light scattering, by increasing the length of the I-band (longer sarcomeres) and that a high rigor temperature will cause protein reconfiguration, changing the muscle structure and promoting light scattering. Muscle fibre fragments were isolated from four beef M. sternomandibularis and subjected to stretching (plus, minus) and three incubation temperatures (5, 15, 35 °C). Reflectance confocal laser scanning microscopy (rCLSM) revealed sarcomere stretching alone was not solely responsible for light scattering development. A high rigor temperature (35 °C) was more favourable for light scattering. Stretching and taking muscle into rigor at 35 °C promoted transverse shrinkage of muscle fibres and increased light scattering and could be applied post-mortem (PM) to reduce the occurrence of problematic dark meat. Crown Copyright © 2018. Published by Elsevier Ltd. All rights reserved.

Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg 1/2Ti 1/2O 3-(1$-$x)PbTiO 3

DOE PAGES

Datta, Kaustuv; Neder, Reinhard B.; Chen, Jun; ...

2017-03-28

Revelation of unequivocal structural information at the atomic level for complex systems is uniquely important for deeper and generic understanding of the structure property connections and a key challenge in materials science. Here in this paper we report an experimental study of the local structure by applying total elastic scattering and Raman scattering analyses to an important non-relaxor ferroelectric solid solution exhibiting the so-called composition-induced morphotropic phase boundary (MPB), where concomitant enhancement of physical properties have been detected. The powerful combination of static and dynamic structural probes enabled us to derive direct correspondence between the atomic-level structural correlations and reportedmore » properties. The atomic pair distribution functions obtained from the neutron total scattering experiments were analysed through big-box atom-modelling implementing reverse Monte Carlo method, from which distributions of magnitudes and directions of off-centred cationic displacements were extracted. We found that an enhanced randomness of the displacement-directions for all ferroelectrically active cations combined with a strong dynamical coupling between the A- and B-site cations of the perovskite structure, can explain the abrupt amplification of piezoelectric response of the system near MPB. Finally, altogether this provides a more fundamental basis in inferring structure-property connections in similar systems including important implications in designing novel and bespoke materials.« less

Polarizable atomic multipole X-ray refinement: application to peptide crystals

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

Schnieders, Michael J.; Fenn, Timothy D.; Howard Hughes Medical Institute

2009-09-01

A method to accelerate the computation of structure factors from an electron density described by anisotropic and aspherical atomic form factors via fast Fourier transformation is described for the first time. Recent advances in computational chemistry have produced force fields based on a polarizable atomic multipole description of biomolecular electrostatics. In this work, the Atomic Multipole Optimized Energetics for Biomolecular Applications (AMOEBA) force field is applied to restrained refinement of molecular models against X-ray diffraction data from peptide crystals. A new formalism is also developed to compute anisotropic and aspherical structure factors using fast Fourier transformation (FFT) of Cartesian Gaussianmore » multipoles. Relative to direct summation, the FFT approach can give a speedup of more than an order of magnitude for aspherical refinement of ultrahigh-resolution data sets. Use of a sublattice formalism makes the method highly parallelizable. Application of the Cartesian Gaussian multipole scattering model to a series of four peptide crystals using multipole coefficients from the AMOEBA force field demonstrates that AMOEBA systematically underestimates electron density at bond centers. For the trigonal and tetrahedral bonding geometries common in organic chemistry, an atomic multipole expansion through hexadecapole order is required to explain bond electron density. Alternatively, the addition of interatomic scattering (IAS) sites to the AMOEBA-based density captured bonding effects with fewer parameters. For a series of four peptide crystals, the AMOEBA–IAS model lowered R{sub free} by 20–40% relative to the original spherically symmetric scattering model.« less

Report on the 18th International Conference on X-ray and Inner-Shell Processes (X99).

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

Gemmell, D. S.; Physics

2000-01-01

The 18th conference of the series served as a forum for discussing fundamental issues in the field of x-ray and inner-shell processes and their application in various disciplines of science and technology. Special emphasis was given to the opportunities offered by modern synchrotron x-ray sources. The program included plenary talks, progress reports and poster presentations relating to new developments in the field of x-ray and inner-shell processes. The range of topics included: X-ray interactions with atoms, molecules, clusters, surfaces and solids; Decay processes for inner-shell vacancies; X-ray absorption and emission spectroscopy - Photoionization processes; Phenomena associated with highly charged ionsmore » and collisions with energetic particles; Electron-spin and -momentum spectroscopy; X-ray scattering and spectroscopy in the study of magnetic systems; Applications in materials science, biology, geosciences, and other disciplines; Elastic and inelastic x-ray scattering processes in atoms and molecules; Threshold phenomena (post-collision interaction, resonant Raman processes, etc.); Nuclear absorption and scattering of x-rays; 'Fourth-generation' x-ray sources; Processes exploiting the polarization and coherence properties of x-ray beams; Developments in experimental techniques (x-ray optics, temporal techniques, detectors); Microscopy, spectromicroscopy, and various imaging techniques; Non-linear processes and x-ray lasers; Ionization and excitation induced by charged particles and by x-rays; and Exotic atoms (including 'hollow' atoms and atoms that contain 'exotic' particles).« less

Evaluating Multispectral Snowpack Reflectivity With Changing Snow Correlation Lengths

NASA Technical Reports Server (NTRS)

Kang, Do Hyuk; Barros, Ana P.; Kim, Edward J.

2016-01-01

This study investigates the sensitivity of multispectral reflectivity to changing snow correlation lengths. Matzler's ice-lamellae radiative transfer model was implemented and tested to evaluate the reflectivity of snow correlation lengths at multiple frequencies from the ultraviolet (UV) to the microwave bands. The model reveals that, in the UV to infrared (IR) frequency range, the reflectivity and correlation length are inversely related, whereas reflectivity increases with snow correlation length in the microwave frequency range. The model further shows that the reflectivity behavior can be mainly attributed to scattering rather than absorption for shallow snowpacks. The largest scattering coefficients and reflectivity occur at very small correlation lengths (approximately 10(exp -5 m) for frequencies higher than the IR band. In the microwave range, the largest scattering coefficients are found at millimeter wavelengths. For validation purposes, the ice-lamella model is coupled with a multilayer snow physics model to characterize the reflectivity response of realistic snow hydrological processes. The evolution of the coupled model simulated reflectivities in both the visible and the microwave bands is consistent with satellite-based reflectivity observations in the same frequencies. The model results are also compared with colocated in situ snow correlation length measurements (Cold Land Processes Field Experiment 2002-2003). The analysis and evaluation of model results indicate that the coupled multifrequency radiative transfer and snow hydrology modeling system can be used as a forward operator in a data-assimilation framework to predict the status of snow physical properties, including snow correlation length.

High resolution resonance ionization imaging detector and method

DOEpatents

Winefordner, James D.; Matveev, Oleg I.; Smith, Benjamin W.

1999-01-01

A resonance ionization imaging device (RIID) and method for imaging objects using the RIID are provided, the RIID system including a RIID cell containing an ionizable vapor including monoisotopic atoms or molecules, the cell being positioned to intercept scattered radiation of a resonance wavelength .lambda..sub.1 from the object which is to be detected or imaged, a laser source disposed to illuminate the RIID cell with laser radiation having a wavelength .lambda..sub.2 or wavelengths .lambda..sub.2, .lambda..sub.3 selected to ionize atoms in the cell that are in an excited state by virtue of having absorbed the scattered resonance laser radiation, and a luminescent screen at the back surface of the RIID cell which presents an image of the number and position of charged particles present in the RIID cell as a result of the ionization of the excited state atoms. The method of the invention further includes the step of initially illuminating the object to be detected or imaged with a laser having a wavelength selected such that the object will scatter laser radiation having the resonance wavelength .lambda..sub.1.

Lattice dynamics in Sn nanoislands and cluster-assembled films

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

Houben, Kelly; Couet, Sebastien; Trekels, Maarten

2017-04-01

To unravel the effects of phonon confinement, the influence of size and morphology on the atomic vibrations is investigated in Sn nanoislands and cluster-assembled films. Nuclear resonant inelastic x-ray scattering is used to probe the phonon densities of states of the Sn nanostructures which show significant broadening of the features compared to bulk phonon behavior. Supported by ab initio calculations, the broadening is attributed to phonon scattering and can be described within the damped harmonic oscillator model. Contrary to the expectations based on previous research, the appearance of high-energy modes above the cutoff energy is not observed. From the thermodynamicmore » properties extracted from the phonon densities of states, it was found that grain boundary Sn atoms are bound by weaker forces than bulk Sn atoms.« less

Low-Energy Elastic Electron Scattering by Atomic Oxygen

NASA Technical Reports Server (NTRS)

Zatsarinny O.; Bartschat, K.; Tayal, S. S.

2006-01-01

The B-spline R-matrix method is employed to investigate the low-energy elastic electron scattering by atomic oxygen. Flexible non-orthogonal sets of radial functions are used to construct the target description and to represent the scattering functions. A detailed investigation regarding the dependence of the predicted partial and total cross sections on the scattering model and the accuracy of the target description is presented. The predicted angle-integrated elastic cross sections are in good agreement with experiment, whereas significant discrepancies are found in the angle-differential elastic cross sections near the forward direction. .The near-threshold results are found to strongly depend on the treatment of inner-core short-range correlation effects in the target description, as well as on a proper account of the target polarizability. A sharp increase in the elastic cross sections below 1 eV found in some earlier calculations is judged to be an artifact of an unbalanced description of correlation in the N-electron target structure and the (N+l)-electron-collision problems.

A MATLAB-based finite-element visualization of quantum reactive scattering. I. Collinear atom-diatom reactions

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

Warehime, Mick; Alexander, Millard H., E-mail: mha@umd.edu

We restate the application of the finite element method to collinear triatomic reactive scattering dynamics with a novel treatment of the scattering boundary conditions. The method provides directly the reactive scattering wave function and, subsequently, the probability current density field. Visualizing these quantities provides additional insight into the quantum dynamics of simple chemical reactions beyond simplistic one-dimensional models. Application is made here to a symmetric reaction (H+H{sub 2}), a heavy-light-light reaction (F+H{sub 2}), and a heavy-light-heavy reaction (F+HCl). To accompany this article, we have written a MATLAB code which is fast, simple enough to be accessible to a wide audience,more » as well as generally applicable to any problem that can be mapped onto a collinear atom-diatom reaction. The code and user's manual are available for download from http://www2.chem.umd.edu/groups/alexander/FEM.« less

Semiclassical multi-phonon theory for atom-surface scattering: Application to the Cu(111) system

NASA Astrophysics Data System (ADS)

Daon, Shauli; Pollak, Eli

2015-05-01

The semiclassical perturbation theory of Hubbard and Miller [J. Chem. Phys. 80, 5827 (1984)] is further developed to include the full multi-phonon transitions in atom-surface scattering. A practically applicable expression is developed for the angular scattering distribution by utilising a discretized bath of oscillators, instead of the continuum limit. At sufficiently low surface temperature good agreement is found between the present multi-phonon theory and the previous one-, and two-phonon theory derived in the continuum limit in our previous study [Daon, Pollak, and Miret-Artés, J. Chem. Phys. 137, 201103 (2012)]. The theory is applied to the measured angular distributions of Ne, Ar, and Kr scattered from a Cu(111) surface. We find that the present multi-phonon theory substantially improves the agreement between experiment and theory, especially at the higher surface temperatures. This provides evidence for the importance of multi-phonon transitions in determining the angular distribution as the surface temperature is increased.

Adsorption of small hydrocarbons on rutile TiO2(110)

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

Chen, Long; Smith, R. Scott; Kay, Bruce D.

2016-08-01

Temperature programmed desorption and molecular beam scattering were used to study the adsorption and desorption of small hydrocarbons (n-alkanes, 1-alkenes and 1-alkynes with 1 - 4 carbon atoms of C1-C4) on rutile TiO2(110). We show that the sticking coefficients for all the hydrocarbons are close to unity (> 0.95) at an adsorption temperature of 60 K. The desorption energies for hydrocarbons of the same chain length increase from n-alkanes to 1-alkenes and to 1-alkynes. This trend is likely a consequence of an additional dative bonding of the alkene and alkyne π system to the coordinatively unsaturated Ti5c sites. Similar tomore » previous studies on the adsorption of n-alkanes on metal and metal oxide surfaces, we find the desorption energies within each group (n-alkanes vs. 1-alkenes vs. 1-alkynes) from Ti5c sites increase linearly with the chain length. The absolute saturation coverages of each hydrocarbon on Ti5c sites were also determined. The saturation coverage of CH4, is found to be ~ 2/3 monolayer (ML). The saturation coverages of C2-C4 hydrocarbons are found nearly independent of the chain length with values of ~1/2 ML for n-alkanes and 1-alkenes and 2/3 ML for 1-alkynes. This result is surprising considering their similar sizes.« less

Atomic and Molecular Physics

NASA Technical Reports Server (NTRS)

Bhatia, Anand K.

2005-01-01

A symposium on atomic and molecular physics was held on November 18, 2005 at Goddard Space Flight Center. There were a number of talks through the day on various topics such as threshold law of ionization, scattering of electrons from atoms and molecules, muonic physics, positron physics, Rydberg states etc. The conference was attended by a number of physicists from all over the world.

Enhanced cooperativity for quantum-nondemolition-measurement–induced spin squeezing of atoms coupled to a nanophotonic waveguide

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

Qi, Xiaodong; Jau, Yuan-Yu; Deutsch, Ivan H.

We study the enhancement of cooperativity in the atom-light interface near a nanophotonic waveguide for application to QND measurement of atomic spins. Here the cooperativity per atom is determined by the ratio between the measurement strength and the decoherence rate. Counterintuitively, we find that by placing the atoms at an azimuthal position where the guided probe mode has the lowest intensity, we increase the cooperativity. This arises because the QND measurement strength depends on the interference between the probe and scattered light guided into an orthogonal polarization mode, while the decoherence rate depends on the local intensity of the probe.more » Thus, by proper choice of geometry, the ratio of good to bad scattering can be strongly enhanced for highly anisotropic modes. We apply this to study spin squeezing resulting from QND measurement of spin projection noise via the Faraday effect in two nanophotonic geometries, a cylindrical nano fiber and a square waveguide. We nd, with about 2500 atoms using realistic experimental parameters, ~ 6:3 dB and ~ 13 dB of squeezing can be achieved on the nano fiber and square waveguide, respectively.« less

Enhanced cooperativity for quantum-nondemolition-measurement–induced spin squeezing of atoms coupled to a nanophotonic waveguide

DOE PAGES

Qi, Xiaodong; Jau, Yuan-Yu; Deutsch, Ivan H.

2018-03-16

We study the enhancement of cooperativity in the atom-light interface near a nanophotonic waveguide for application to QND measurement of atomic spins. Here the cooperativity per atom is determined by the ratio between the measurement strength and the decoherence rate. Counterintuitively, we find that by placing the atoms at an azimuthal position where the guided probe mode has the lowest intensity, we increase the cooperativity. This arises because the QND measurement strength depends on the interference between the probe and scattered light guided into an orthogonal polarization mode, while the decoherence rate depends on the local intensity of the probe.more » Thus, by proper choice of geometry, the ratio of good to bad scattering can be strongly enhanced for highly anisotropic modes. We apply this to study spin squeezing resulting from QND measurement of spin projection noise via the Faraday effect in two nanophotonic geometries, a cylindrical nano fiber and a square waveguide. We nd, with about 2500 atoms using realistic experimental parameters, ~ 6:3 dB and ~ 13 dB of squeezing can be achieved on the nano fiber and square waveguide, respectively.« less

SU(3) Orbital Kondo Effect with Ultracold Atoms

NASA Astrophysics Data System (ADS)

Nishida, Yusuke

2013-09-01

We propose a simple but novel scheme to realize the Kondo effect with ultracold atoms. Our system consists of a Fermi sea of spinless fermions interacting with an impurity atom of different species which is confined by an isotropic potential. The interspecies attraction can be tuned with an s-wave Feshbach resonance so that the impurity atom and a spinless fermion form a bound dimer that occupies a threefold-degenerate p orbital of the confinement potential. Many-body scatterings of this dimer and surrounding spinless fermions occur with exchanging their angular momenta and thus exhibit the SU(3) orbital Kondo effect. The associated Kondo temperature has a universal leading exponent given by TK∝exp⁡[-π/(3apkF3)] that depends only on an effective p-wave scattering volume ap and a Fermi wave vector kF. We also elucidate a Kondo singlet formation at zero temperature and an anisotropic interdimer interaction mediated by surrounding spinless fermions. The Kondo effect thus realized in ultracold atom experiments may be observed as an increasing atom loss by lowering the temperature or with radio-frequency spectroscopy. Our scheme and its extension to a dense Kondo lattice will be useful to develop new insights into yet unresolved aspects of Kondo physics.

Enhanced cooperativity for quantum-nondemolition-measurement-induced spin squeezing of atoms coupled to a nanophotonic waveguide

NASA Astrophysics Data System (ADS)

Qi, Xiaodong; Jau, Yuan-Yu; Deutsch, Ivan H.

2018-03-01

We study the enhancement of cooperativity in the atom-light interface near a nanophotonic waveguide for application to quantum nondemolition (QND) measurement of atomic spins. Here the cooperativity per atom is determined by the ratio between the measurement strength and the decoherence rate. Counterintuitively, we find that by placing the atoms at an azimuthal position where the guided probe mode has the lowest intensity, we increase the cooperativity. This arises because the QND measurement strength depends on the interference between the probe and scattered light guided into an orthogonal polarization mode, while the decoherence rate depends on the local intensity of the probe. Thus, by proper choice of geometry, the ratio of good-to-bad scattering can be strongly enhanced for highly anisotropic modes. We apply this to study spin squeezing resulting from QND measurement of spin projection noise via the Faraday effect in two nanophotonic geometries, a cylindrical nanofiber and a square waveguide. We find that, with about 2500 atoms and using realistic experimental parameters, ˜6.3 and ˜13 dB of squeezing can be achieved on the nanofiber and square waveguide, respectively.

Optical scattering lengths in large liquid-scintillator neutrino detectors.

PubMed

Wurm, M; von Feilitzsch, F; Göger-Neff, M; Hofmann, M; Lachenmaier, T; Lewke, T; Marrodán Undagoitia, T; Meindl, Q; Möllenberg, R; Oberauer, L; Potzel, W; Tippmann, M; Todor, S; Traunsteiner, C; Winter, J

2010-05-01

For liquid-scintillator neutrino detectors of kiloton scale, the transparency of the organic solvent is of central importance. The present paper reports on laboratory measurements of the optical scattering lengths of the organic solvents phenylxylylethane, linear alkylbenzene (LAB), and dodecane, which are under discussion for next-generation experiments such as SNO+ (Sudbury Neutrino Observatory), HanoHano, or LENA (Low Energy Neutrino Astronomy). Results comprise the wavelength range of 415-440 nm. The contributions from Rayleigh and Mie scattering as well as from absorption/re-emission processes are discussed. Based on the present results, LAB seems to be the preferred solvent for a large-volume detector.

Optical scattering lengths in large liquid-scintillator neutrino detectors

NASA Astrophysics Data System (ADS)

Wurm, M.; von Feilitzsch, F.; Göger-Neff, M.; Hofmann, M.; Lachenmaier, T.; Lewke, T.; Undagoitia, T. Marrodán; Meindl, Q.; Möllenberg, R.; Oberauer, L.; Potzel, W.; Tippmann, M.; Todor, S.; Traunsteiner, C.; Winter, J.

2010-05-01

For liquid-scintillator neutrino detectors of kiloton scale, the transparency of the organic solvent is of central importance. The present paper reports on laboratory measurements of the optical scattering lengths of the organic solvents phenylxylylethane, linear alkylbenzene (LAB), and dodecane, which are under discussion for next-generation experiments such as SNO+ (Sudbury Neutrino Observatory), HanoHano, or LENA (Low Energy Neutrino Astronomy). Results comprise the wavelength range of 415-440 nm. The contributions from Rayleigh and Mie scattering as well as from absorption/re-emission processes are discussed. Based on the present results, LAB seems to be the preferred solvent for a large-volume detector.

Nanoscale supramolecular ordering in gel-surfactant complexes: Sodium alkyl sulfates in poly(diallyldimethylammonium chloride)

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

Sokolov, E.L.; Yeh, F.; Khokhlov, A.

1996-12-25

Studies of slightly cross-linked polycationic gels interacting with anionic surfactants have been performed by using random copolymers of poly(diallyldimethylammonium chloride) (PDADMACl) and polyacrylamide (PAAm) with varying content of PDADMACl and degree of cross-linking. Gel samples which had been fully swollen in water were placed in aqueous solutions of sodium alkyl sulfates (octyl(SOS), decyl-(SDCS), dodecyl (SDS), tetradecyl (STS), and hexyl (SHS) sulfates). The degree of the sample volume contraction depends on the PDADMACl content. The collapsed gel-surfactant complexes were studied using synchrotron small-angle X-ray scattering. All studied samples containing PDADMACl exhibited pronounced supramolecular nanostructures. The gel-SDCS complex exhibited a cubic structuremore » with a periodicity (7.75 nm) of approximately 4 times the surfactant molecular length, while the gel-SDS, gel-STS, and gel-SHS complexes showed hexagonal supramolecular ordering with a periodicity of approximately 2 times the surfactant molecular length. The d spacing of the longest periodicity in the complexes was dependent on the PDADMACl content and the surfactant. The d spacing generally increased with decreasing PDADMACl (charge) content and increasing number of carbon atoms in the surfactant alkyl chain. 20 refs., 11 figs., 5 tabs.« less

Spatially and temporally resolved diagnostics of dense sprays using gated, femtosecond, digital holography

NASA Astrophysics Data System (ADS)

Trolinger, James D.; Dioumaev, Andrei K.; Ziaee, Ali; Minniti, Marco; Dunn-Rankin, Derek

2017-08-01

This paper describes research that demonstrated gated, femtosecond, digital holography, enabling 3D microscopic viewing inside dense, almost opaque sprays, and providing a new and powerful diagnostics capability for viewing fuel atomization processes never seen before. The method works by exploiting the extremely short coherence and pulse length (approximately 30 micrometers in this implementation) provided by a femtosecond laser combined with digital holography to eliminate multiple and wide angle scattered light from particles surrounding the injection region, which normally obscures the image of interest. Photons that follow a path that differs in length by more than 30 micrometers from a straight path through the field to the sensor do not contribute to the holographic recording of photons that travel in a near straight path (ballistic and "snake" photons). To further enhance the method, off-axis digital holography was incorporated to enhance signal to noise ratio and image processing capability in reconstructed images by separating the conjugate images, which overlap and interfere in conventional in-line holography. This also enables digital holographic interferometry. Fundamental relationships and limitations were also examined. The project is a continuing collaboration between MetroLaser and the University of California, Irvine.

Scattering of positrons and electrons by alkali atoms

NASA Technical Reports Server (NTRS)

Stein, T. S.; Kauppila, W. E.; Kwan, C. K.; Lukaszew, R. A.; Parikh, S. P.; Wan, Y. J.; Zhou, S.; Dababneh, M. S.

1990-01-01

Absolute total scattering cross sections (Q sub T's) were measured for positrons and electrons colliding with sodium, potassium, and rubidium in the 1 to 102 eV range, using the same apparatus and experimental approach (a beam transmission technique) for both projectiles. The present results for positron-sodium and -rubidium collisions represent the first Q sub T measurements reported for these collision systems. Features which distinguish the present comparisons between positron- and electron-alkali atom Q sub T's from those for other atoms and molecules (room-temperature gases) which have been used as targets for positrons and electrons are the proximity of the corresponding positron- and electron-alkali atom Q sub T's over the entire energy range of overlap, with an indication of a merging or near-merging of the corresponding positron and electron Q sub T's near (and above) the relatively low energy of about 40 eV, and a general tendency for the positron-alkali atom Q sub T's to be higher than the corresponding electron values as the projectile energy is decreased below about 40 eV.

Formation and structural phase transition in Co atomic chains on a Cu(775) surface

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

Syromyatnikov, A. G.; Kabanov, N. S.; Saletsky, A. M.

The formation of Co atomic chains on a Cu(775) surface is investigated by the kinetic Monte Carlo method. It is found that the length of Co atomic chains formed as a result of self-organization during epitaxial growth is a random quantity and its mean value depends on the parameters of the experiment. The existence of two structural phases in atomic chains is detected using the density functional theory. In the first phase, the separations between an atom and its two nearest neighbors in a chain are 0.230 and 0.280 nm. In the second phase, an atomic chain has identical atomicmore » spacings of 0.255 nm. It is shown that the temperature of the structural phase transition depends on the length of the atomic chain.« less

Electron Scattering and Doping Mechanisms in Solid-Phase-Crystallized In2O3:H Prepared by Atomic Layer Deposition.

PubMed

Macco, Bart; Knoops, Harm C M; Kessels, Wilhelmus M M

2015-08-05

Hydrogen-doped indium oxide (In2O3:H) has recently emerged as an enabling transparent conductive oxide for solar cells, in particular for silicon heterojunction solar cells because its high electron mobility (>100 cm(2)/(V s)) allows for a simultaneously high electrical conductivity and optical transparency. Here, we report on high-quality In2O3:H prepared by a low-temperature atomic layer deposition (ALD) process and present insights into the doping mechanism and the electron scattering processes that limit the carrier mobility in such films. The process consists of ALD of amorphous In2O3:H at 100 °C and subsequent solid-phase crystallization at 150-200 °C to obtain large-grained polycrystalline In2O3:H films. The changes in optoelectronic properties upon crystallization have been monitored both electrically by Hall measurements and optically by analysis of the Drude response. After crystallization, an excellent carrier mobility of 128 ± 4 cm(2)/(V s) can be obtained at a carrier density of 1.8 × 10(20) cm(-3), irrespective of the annealing temperature. Temperature-dependent Hall measurements have revealed that electron scattering is dominated by unavoidable phonon and ionized impurity scattering from singly charged H-donors. Extrinsic defect scattering related to material quality such as grain boundary and neutral impurity scattering was found to be negligible in crystallized films indicating that the carrier mobility is maximized. Furthermore, by comparison of the absolute H-concentration and the carrier density in crystallized films, it is deduced that <4% of the incorporated H is an active dopant in crystallized films. Therefore, it can be concluded that inactive H atoms do not (significantly) contribute to defect scattering, which potentially explains why In2O3:H films are capable of achieving a much higher carrier mobility than conventional In2O3:Sn (ITO).

Absorption cross sections of some atmospheric molecules for resonantly scattered O I 1304-A radiation

NASA Technical Reports Server (NTRS)

Starr, W. L.

1976-01-01

Absorption cross sections for O2, N2, CO2, CH4, N2O, and CO have been measured at each of the lines of the atomic oxygen triplet at 1302, 1305, and 1306 A. Radiation resonantly scattered from oxygen atoms at a temperature of about 300 K was used for the line source. Absorber temperatures were also near 300 K. Direct application of the Lambert-Beer absorption equation yielded pressure-dependent cross sections for carbon monoxide at each line of the O I triplet. Reasons for this apparent dependence are presented and discussed.

Structural, electronic and vibrational properties of GexCy (x+y=2-5) nanoclusters: A B3LYP-DFT study

NASA Astrophysics Data System (ADS)

Goswami, Sohini; Saha, Sushmita; Yadav, R. K.

2015-11-01

An ab-initio study of the stability, structural and electronic properties has been made for 84 germanium carbide nanoclusters, GexCy (x+y=2-5). The configuration possessing the maximum value of final binding energy (FBE), among the various configurations corresponding to a fixed x+y=n value, is named as the most stable structure. The vibrational and optical properties have been investigated only for the most stable structures. A B3LYP-DFT/6-311G(3df) method has been employed to optimize fully the geometries of the nanoclusters. The binding energies (BE), highest-occupied and lowest-unoccupied molecular orbital (HOMO-LUMO) gaps have been obtained for all the clusters and the bond lengths have been reported for the most stable clusters. We have considered the zero point energy (ZPE) corrections. The adiabatic and vertical ionization potentials (IPs) and electron affinities (EAs), charge on atoms, dipole moments, vibrational frequencies, infrared intensities (IR Int.), relative infrared intensities (Rel. IR Int.) and Raman scattering activities have also been investigated for the most stable structures. The configurations containing the carbon atoms in majority are seen to be the most stable structures. The strong C-C bond has important role in stabilizing the clusters. For the clusters containing one germanium atom and all the other as carbon atoms, the BE increases monotonically with the number of the carbon atoms. The HOMO-LUMO gap, IPs and EAs fluctuates with increase in the number of atoms. The nanoclusters containing even number of carbon atoms have large HOMO-LUMO gaps and IPs, whereas the nanoclusters containing even number of carbon atoms have small EAs. In general, the adiabatic IP (EA) is smaller (greater) than the vertical IP (EA). The optical absorption spectrum or electron energy loss spectrum (EELS) is unique for every cluster, and may be used to characterize a specific cluster. All the predicted physical quantities are in good agreement with the experimental data wherever available. The growth of these most stable structures should be possible in the experiments.

Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

PubMed Central

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.

2015-01-01

Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier’s equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophos­phodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis. PMID:26249347

Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

DOE PAGES

Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; ...

2015-07-28

Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier'smore » equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. In addition, these methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less

A three-dimensional He-CO potential energy surface with improved long-range behavior

NASA Astrophysics Data System (ADS)

McBane, George C.

2016-12-01

A weakness of the "CBS + corr" He-CO potential energy surface (Peterson and McBane, 2005) has been rectified by constraining the potential to adopt accurate long-range behavior for He-CO distances well beyond 15a0 . The resulting surface is very similar to the original in the main part of the interaction. Comparison with accurately known bound-state energies indicates that the surface is slightly improved in the region sampled by the highest lying bound states. The positions of shape and Feshbach resonances within a few cm-1 of the j = 1 excitation threshold are essentially unchanged. The low-energy scattering lengths changed noticeably. The revised surface generates a small negative limiting scattering length for collisions with 4He, while the original surface gave a small positive one. Both surfaces yield scattering lengths quite different from the widely used surface of Heijmen et al. (1997) for both He isotopes.

Calculation of the {pi}{sup +}{Sigma}{sup +} and {pi}{sup +}{Xi}{sup 0} Scattering Lengths in Lattice QCD

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

Torok, Aaron

The {pi}{sup +}{Sigma}{sup +} and {pi}{sup +}{Xi}{sup 0} scattering lengths were calculated in mixed-action Lattice QCD with domain-wall valence quarks on the asqtad-improved coarse MILC configurations at four light-quark masses, and at two light-quark masses on the fine MILC configurations. Heavy Baryon Chiral Perturbation Theory with two and three flavors of light quarks was used to perform the chiral extrapolations. To NNLO in the three-flavor chiral expansion, the kaon-baryon processes that were investigated show no signs of convergence. Using the two-flavor chiral expansion for extrapolation, the pion-hyperon scattering lengths are found to be a{sub {pi}}{sup +}{sub {Sigma}}{sup +} = -0.197{+-}0.017more » fm, and a{sub {pi}}{sup +}{sub {Xi}}{sup 0} = -0.098{+-}0.017 fm, where the comprehensive error includes statistical and systematic uncertainties.« less

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

Mokshin, A. V., E-mail: anatolii.mokshin@mail.ru; Khusnutdinoff, R. M., E-mail: khrm@mail.ru; Novikov, A. G.

The features of the microscopic structure, as well as one-particle and collective dynamics of liquid gallium in the temperature range from T = 313 to 1273 K, are studied on the p = 1.0 atm isobar. Detailed analysis of the data on diffraction of neutrons and X-rays, as well as the results of atomic dynamics simulation, lead to some conclusions about the structure. In particular, for preset conditions, gallium is in the equilibrium liquid phase showing no features of any stable local crystalline clusters. The pronounced asymmetry of the principle peak of the static structure factor and the characteristic “shoulder”more » in its right-hand part appearing at temperatures close to the melting point, which are clearly observed in the diffraction data, are due to the fact that the arrangement of the nearest neighbors of an arbitrary atom in the system is estimated statistically from the range of correlation length values and not by a single value as in the case of simple liquids. Compactly located dimers with a very short bond make a significant contribution to the statistics of nearest neighbors. The temperature dependence of the self-diffusion coefficient calculated from atomic dynamics simulation agrees well with the results obtained from experimental spectra of the incoherent scattering function. Interpolation of the temperature dependence of the self-diffusion coefficient on a logarithmic scale reveals two linear regions with a transition temperature of about 600 K. The spectra of the dynamic structure factor and spectral densities of the local current calculated by simulating the atomic dynamics indicate the existence of acoustic vibrations with longitudinal and transverse polarizations in liquid gallium, which is confirmed by experimental data on inelastic scattering of neutrons and X-rays. It is found that the vibrational density of states is completely reproduced by the generalized Debye model, which makes it possible to decompose the total vibrational motion into individual contributions associated with the formation of acoustic waves with longitudinal and transverse polarizations. Comparison of the heights of the low-frequency component and of the high-frequency peak in the spectral density of vibrational states also indicates a temperature of T ≈ 600 K, at which the diffusion type of one-particle dynamics changes to the vibrational type upon a decrease in temperature. It is demonstrated that the modified Einstein–Stokes relation can be derived using the generalized Debye model.« less

Neutron reflectometry as a tool to study magnetism.

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

Felcher, G. P.

1999-09-21

Polarized-neutron specular reflectometry (PNR) was developed in the 1980's as a means of measuring magnetic depth profiles in flat films. Starting from simple profiles, and gradually solving structures of greater complexity, PNR has been used to observe or clarify a variety of magnetic phenomena. It has been used to measure the absolute magnetization of films of thickness not exceeding a few atomic planes, the penetration of magnetic fields in micron-thick superconductors, and the detailed magnetic coupling across non-magnetic spacers in multilayers and superlattices. Although PNR is considered a probe of depth dependent magnetic structure, laterally averaged in the plane ofmore » the film, the development of new scattering techniques promises to enable the characterization of lateral magnetic structures. Retaining the depth-sensitivity of specular reflectivity, off-specular reflectivity may be brought to resolve in-plane structures over nanometer to micron length scales.« less

Total cross sections for ultracold neutrons scattered from gases

DOE PAGES

Seestrom, Susan Joyce; Adamek, Evan R.; Barlow, Dave; ...

2017-01-30

Here, we have followed up on our previous measurements of upscattering of ultracold neutrons (UCNs) from a series of gases by making measurements of total cross sections on the following gases hydrogen, ethane, methane, isobutene, n-butane, ethylene, water vapor, propane, neopentane, isopropyl alcohol, and 3He. The values of these cross sections are important for estimating the loss rate of trapped neutrons due to residual gas and are relevant to neutron lifetime measurements using UCNs. The effects of the UCN velocity and path-length distributions were accounted for in the analysis using a Monte Carlo transport code. Results are compared to ourmore » previous measurements and with the known absorption cross section for 3He scaled to our UCN energy. We find that the total cross sections for the hydrocarbon gases are reasonably described by a function linear in the number of hydrogen atoms in the molecule.« less

Structural rearrangement and dispersion of functionalized graphene sheets in aqueous solutions

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

Lee, Yun Jung; Huang, Liwei; Wang, Howard

2015-09-01

Surfactants are widely used for dispersing graphene and functionalized graphene sheets (FGS) in colloidal suspensions, but there have been few studies of the structure of the dispersed graphene-surfactant complexes in suspension and of their time evolution. Here, we combine experimental study of efficiencies of ionic surfactants/polymers in suspending FGS in water with characterization using atomic force microscopy, small angle neutron scattering, and molecular simulations to probe the detailed structures of FGSs. A systematic study of FGS dispersions using ionic surfactants with varying chain lengths revealed that the effective charge density of surfactant layer defines the concentration of dispersed FGS whilemore » the strength of interfacial binding defines the stability of graphene dispersion over long time aging. Ionic surfactants with strong interfacial binding and large molecular weight increase the dispersing power by over an order of magnitude.« less

Mixed quantum/classical theory for inelastic scattering of asymmetric-top-rotor + atom in the body-fixed reference frame and application to the H₂O + He system.

PubMed

Semenov, Alexander; Dubernet, Marie-Lise; Babikov, Dmitri

2014-09-21

The mixed quantum/classical theory (MQCT) for inelastic molecule-atom scattering developed recently [A. Semenov and D. Babikov, J. Chem. Phys. 139, 174108 (2013)] is extended to treat a general case of an asymmetric-top-rotor molecule in the body-fixed reference frame. This complements a similar theory formulated in the space-fixed reference-frame [M. Ivanov, M.-L. Dubernet, and D. Babikov, J. Chem. Phys. 140, 134301 (2014)]. Here, the goal was to develop an approximate computationally affordable treatment of the rotationally inelastic scattering and apply it to H2O + He. We found that MQCT is somewhat less accurate at lower scattering energies. For example, below E = 1000 cm(-1) the typical errors in the values of inelastic scattering cross sections are on the order of 10%. However, at higher scattering energies MQCT method appears to be rather accurate. Thus, at scattering energies above 2000 cm(-1) the errors are consistently in the range of 1%-2%, which is basically our convergence criterion with respect to the number of trajectories. At these conditions our MQCT method remains computationally affordable. We found that computational cost of the fully-coupled MQCT calculations scales as n(2), where n is the number of channels. This is more favorable than the full-quantum inelastic scattering calculations that scale as n(3). Our conclusion is that for complex systems (heavy collision partners with many internal states) and at higher scattering energies MQCT may offer significant computational advantages.

Dynamical properties of water in living cells

NASA Astrophysics Data System (ADS)

Piazza, Irina; Cupane, Antonio; Barbier, Emmanuel L.; Rome, Claire; Collomb, Nora; Ollivier, Jacques; Gonzalez, Miguel A.; Natali, Francesca

2018-02-01

With the aim of studying the effect of water dynamics on the properties of biological systems, in this paper, we present a quasi-elastic neutron scattering study on three different types of living cells, differing both in their morphological and tumor properties. The measured scattering signal, which essentially originates from hydrogen atoms present in the investigated systems, has been analyzed using a global fitting strategy using an optimized theoretical model that considers various classes of hydrogen atoms and allows disentangling diffusive and rotational motions. The approach has been carefully validated by checking the reliability of the calculation of parameters and their 99% confidence intervals. We demonstrate that quasi-elastic neutron scattering is a suitable experimental technique to characterize the dynamics of intracellular water in the angstrom/picosecond space/time scale and to investigate the effect of water dynamics on cellular biodiversity.

Effect of calcium concentration on the structure of casein micelles in thin films.

PubMed

Müller-Buschbaum, P; Gebhardt, R; Roth, S V; Metwalli, E; Doster, W

2007-08-01

The structure of thin casein films prepared with spin-coating is investigated as a function of the calcium concentration. Grazing incidence small-angle x-ray scattering and atomic force microscopy are used to probe the micelle structure. For comparison, the corresponding casein solutions are investigated with dynamic light-scattering experiments. In the thin films with added calcium three types of casein structures, aggregates, micelles, and mini-micelles, are observed in coexistence with atomic force microscopy and grazing incidence small-angle x-ray scattering. With increasing calcium concentration, the size of the aggregates strongly increases, while the size of micelles slightly decreases and the size of the mini-micelles increases. This effect is explained in the framework of the particle-stabilizing properties of the hairy layer of kappa-casein surrounding the casein micelles.

Effect of Calcium Concentration on the Structure of Casein Micelles in Thin Films

PubMed Central

Müller-Buschbaum, P.; Gebhardt, R.; Roth, S. V.; Metwalli, E.; Doster, W.

2007-01-01

The structure of thin casein films prepared with spin-coating is investigated as a function of the calcium concentration. Grazing incidence small-angle x-ray scattering and atomic force microscopy are used to probe the micelle structure. For comparison, the corresponding casein solutions are investigated with dynamic light-scattering experiments. In the thin films with added calcium three types of casein structures, aggregates, micelles, and mini-micelles, are observed in coexistence with atomic force microscopy and grazing incidence small-angle x-ray scattering. With increasing calcium concentration, the size of the aggregates strongly increases, while the size of micelles slightly decreases and the size of the mini-micelles increases. This effect is explained in the framework of the particle-stabilizing properties of the hairy layer of κ-casein surrounding the casein micelles. PMID:17496032

Spin entanglement in elastic electron scattering from quasi-one electron atoms

NASA Astrophysics Data System (ADS)

Fonseca Dos Santos, Samantha; Bartschat, Klaus

2017-04-01

We have extended our work on e-Li collisions to investigate low-energy elastic electron collisions with atomic hydrogen and other alkali targets (Na,K,Rb). These systems have been suggested for the possibility of continuously varying the degree of entanglement between the elastically scattered projectile and the valence electron. In order to estimate how well such a scheme may work in practice, we carried out overview calculations for energies between 0 and 10 eV and the full range of scattering angles 0° -180° . In addition to the relative exchange asymmetry parameter that characterizes the entanglement, we present the differential cross section in order to estimate whether the count rates in the most interesting energy-angle regimes are sufficient to make such experiments feasible in practice. Work supported by the NSF under PHY-1403245.

Backscatter RCS for TE and TM excitations of dielectric-filled cavity-backed apertures in two-dimensional bodies

NASA Technical Reports Server (NTRS)

Goggans, Paul M.; Shumpert, Thomas H.

1991-01-01

Transverse electric (TE) and transverse magnetic (TM) scattering from dielectric-filled, cavity-backed apertures in two-dimensional bodies are treated using the method of moments technique to solve a set of combined-field integral equations for the equivalent induced electric and magnetic currents on the exterior of the scattering body and on the associated aperture. Results are presented for the backscatter radar cross section (RCS) versus the electrical size of the scatterer for two different dielectric-filled cavity-backed geometries. The first geometry is a circular cylinder of infinite length which has an infinite length slot aperture along one side. The cavity inside the cylinder is dielectric filled and is also of circular cross section. The two cylinders (external and internal) are of different radii and their respective longitudinal axes are parallel but not collocated. The second is a square cylinder of infinite length which has an infinite length slot aperture along one side. The cavity inside the square cylinder is dielectric-filled and is also of square cross section.

CORRECTING FOR INTERPLANETARY SCATTERING IN VELOCITY DISPERSION ANALYSIS OF SOLAR ENERGETIC PARTICLES

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

Laitinen, T.; Dalla, S.; Huttunen-Heikinmaa, K.

2015-06-10

To understand the origin of Solar Energetic Particles (SEPs), we must study their injection time relative to other solar eruption manifestations. Traditionally the injection time is determined using the Velocity Dispersion Analysis (VDA) where a linear fit of the observed event onset times at 1 AU to the inverse velocities of SEPs is used to derive the injection time and path length of the first-arriving particles. VDA does not, however, take into account that the particles that produce a statistically observable onset at 1 AU have scattered in the interplanetary space. We use Monte Carlo test particle simulations of energeticmore » protons to study the effect of particle scattering on the observable SEP event onset above pre-event background, and consequently on VDA results. We find that the VDA results are sensitive to the properties of the pre-event and event particle spectra as well as SEP injection and scattering parameters. In particular, a VDA-obtained path length that is close to the nominal Parker spiral length does not imply that the VDA injection time is correct. We study the delay to the observed onset caused by scattering of the particles and derive a simple estimate for the delay time by using the rate of intensity increase at the SEP onset as a parameter. We apply the correction to a magnetically well-connected SEP event of 2000 June 10, and show it to improve both the path length and injection time estimates, while also increasing the error limits to better reflect the inherent uncertainties of VDA.« less

Scattering and Diffraction of Electromagnetic Radiation: An Effective Probe to Material Structure

NASA Technical Reports Server (NTRS)

Xu, Yu-Lin

2016-01-01

Scattered electromagnetic waves from material bodies of different forms contain, in an intricate way, precise information on the intrinsic, geometrical and physical properties of the objects. Scattering theories, ever deepening, aim to provide dependable interpretation and prediction to the complicated interaction of electromagnetic radiation with matter. There are well-established multiple-scattering formulations based on classical electromagnetic theories. An example is the Generalized Multi-particle Mie-solution (GMM), which has recently been extended to a special version ? the GMM-PA approach, applicable to finite periodic arrays consisting of a huge number (e.g., >>106) of identical scattering centers [1]. The framework of the GMM-PA is nearly complete. When the size of the constituent unit scatterers becomes considerably small in comparison with incident wavelength, an appropriate array of such small element volumes may well be a satisfactory representation of a material entity having an arbitrary structure. X-ray diffraction is a powerful characterization tool used in a variety of scientific and technical fields, including material science. A diffraction pattern is nothing more than the spatial distribution of scattered intensity, determined by the distribution of scattering matter by way of its Fourier transform [1]. Since all linear dimensions entered into Maxwell's equations are normalized by wavelength, an analogy exists between optical and X-ray diffraction patterns. A large set of optical diffraction patterns experimentally obtained can be found in the literature [e.g., 2,3]. Theoretical results from the GMM-PA have been scrutinized using a large collection of publically accessible, experimentally obtained Fraunhofer diffraction patterns. As far as characteristic structures of the patterns are concerned, theoretical and experimental results are in uniform agreement; no exception has been found so far. Closely connected with the spatial distribution of scattered intensities are cross sections, such as for extinction, scattering, absorption, and radiation pressure, as a critical type of key quantity addressed in most theoretical and experimental studies of radiative scattering. Cross sections predicted from different scattering theories are supposed to be in general agreement. For objects of irregular shape, the GMM-PA solutions can be compared with the highly flexible Discrete Dipole Approximation (DDA) [4,5] when dividing a target to no more than 106 unit cells. Also, there are different ways to calculate the cross sections in the GMM-PA, providing an additional means to examine the accuracy of the numerical solutions and to unveil potential issues concerning the theoretical formulations and numerical aspects. To solve multiple scattering by an assembly of material volumes through classical theories such as the GMM-PA, the radiative properties of the component scatterers, the complex refractive index in particular, must be provided as input parameters. When using a PA to characterize a material body, this involves the use of an adequate theoretical tool, an effective medium theory, to connect Maxwell's phenomenogical theory with the atomistic theory of matter. In the atomic theory, one regards matter as composed of interacting particles (atoms and molecules) embedded in the vacuum [6]. However, the radiative properties of atomic-scaled particles are known to be substantially different from bulk materials. Intensive research efforts in the fields of cluster science and nanoscience attempt to bridge the gap between bulk and atom and to understand the transition from classical to quantum physics. The GMM-PA calculations, which place virtually no restriction on the component-particle size, might help to gain certain insight into the transition.

Quantum trajectories in elastic atom-surface scattering: threshold and selective adsorption resonances.

PubMed

Sanz, A S; Miret-Artés, S

2005-01-01

The elastic resonant scattering of He atoms off the Cu(117) surface is fully described with the formalism of quantum trajectories provided by Bohmian mechanics. Within this theory of quantum motion, the concept of trapping is widely studied and discussed. Classically, atoms undergo impulsive collisions with the surface, and then the trapped motion takes place covering at least two consecutive unit cells. However, from a Bohmian viewpoint, atom trajectories can smoothly adjust to the equipotential energy surface profile in a sort of sliding motion; thus the trapping process could eventually occur within one single unit cell. In particular, both threshold and selective adsorption resonances are explained by means of this quantum trapping considering different space and time scales. Furthermore, a mapping between each region of the (initial) incoming plane wave and the different parts of the diffraction and resonance patterns can be easily established, an important issue only provided by a quantum trajectory formalism. (c) 2005 American Institute of Physics.

Gain assisted coherent control of microwave pulse in a one dimensional array of artificial atoms

NASA Astrophysics Data System (ADS)

Waqas, Mohsin; Ayaz, M. Q.; Waseem, M.; Qamar, Sajid; Qamar, Shahid

2018-06-01

We study the coherent propagation of a microwave pulse through a one-dimensional array of artificial atoms. The scheme is based upon gain assisted propagation of the pulse using two-photon Raman transition in a three-level superconducting artificial atoms (SAAs) coupled to a microwave transmission line. Our results show that the group velocity can be significantly reduced by increasing the Rabi frequency of the pump fields which in turn can lead to an efficient storage of the pulse inside a 1D array of SAAs. Further, the intensity of the transmitted pulse increases with the number of artificial atoms owing to the gain associated with the two-photon Raman transition. Our results also show that the window width decreases for both scattering and negligible scattering cases with the increase in the number of SAAs. The fidelity of the system also remains high even after the passage of the pulse through a large number of SAAs.

Positron total scattering cross-sections for alkali atoms

NASA Astrophysics Data System (ADS)

Sinha, Nidhi; Singh, Suvam; Antony, Bobby

2018-01-01

Positron-impact total scattering cross-sections for Li, Na, K, Rb, Cs and Fr atoms are calculated in the energy range from 5-5000 eV employing modified spherical complex optical potential formalism. The main aim of this work is to apply this formalism to the less studied positron-target collision systems. The results are compared with previous theoretical and experimental data, wherever available. In general, the present data show overall agreement and consistency with other results. Furthermore, we have done a comparative study of the results to investigate the effect of atomic size on the cross-sections as we descend through the group in the periodic table. We have also plotted a correlation graph of the present total cross-sections with polarizability and number of target electrons. The two correlation plots confirm the credibility and consistency of the present results. Besides, this is the first theoretical attempt to report positron-impact total cross-sections of alkali atoms over such a wide energy range.

The Molecular Structure of a Phosphatidylserine Bilayer Determined by Scattering and Molecular Dynamics Simulations

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

Pan, Jianjun; Cheng, Xiaolin; Monticelli, Luca

2014-01-01

Phosphatidylserine (PS) lipids play essential roles in biological processes, including enzyme activation and apoptosis. We report on the molecular structure and atomic scale interactions of a fluid bilayer composed of 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphatidylserine (POPS). A scattering density profile model, aided by molecular dynamics (MD) simulations, was developed to jointly refine different contrast small-angle neutron and X-ray scattering data, which yielded a lipid area of 62.7 A2 at 25 C. MD simulations with POPS lipid area constrained at different values were also performed using all-atom and aliphatic united-atom models. The optimal simulated bilayer was obtained using a model-free comparison approach. Examination of themore » simulated bilayer, which agrees best with the experimental scattering data, reveals a preferential interaction between Na+ ions and the terminal serine and phosphate moieties. Long-range inter-lipid interactions were identified, primarily between the positively charged ammonium, and the negatively charged carboxylic and phosphate oxygens. The area compressibility modulus KA of the POPS bilayer was derived by quantifying lipid area as a function of surface tension from area-constrained MD simulations. It was found that POPS bilayers possess a much larger KA than that of neutral phosphatidylcholine lipid bilayers. We propose that the unique molecular features of POPS bilayers may play an important role in certain physiological functions.« less

Curcumin Inhibits Tau Aggregation and Disintegrates Preformed Tau Filaments in vitro.

PubMed

Rane, Jitendra Subhash; Bhaumik, Prasenjit; Panda, Dulal

2017-01-01

The pathological aggregation of tau is a common feature of most of the neuronal disorders including frontotemporal dementia, Parkinson's disease, and Alzheimer's disease. The inhibition of tau aggregation is considered to be one of the important strategies for treating these neurodegenerative diseases. Curcumin, a natural polyphenolic molecule, has been reported to have neuroprotective ability. In this work, curcumin was found to bind to adult tau and fetal tau with a dissociation constant of 3.3±0.4 and 8±1 μM, respectively. Molecular docking studies indicated a putative binding site of curcumin in the microtubule-binding region of tau. Using several complementary techniques, including dynamic light scattering, thioflavin S fluorescence, 90° light scattering, electron microscopy, and atomic force microscopy, curcumin was found to inhibit the aggregation of tau. The dynamic light scattering analysis and atomic force microscopic images revealed that curcumin inhibits the oligomerization of tau. Curcumin also disintegrated preformed tau oligomers. Using Far-UV circular dichroism, curcumin was found to inhibit the β-sheets formation in tau indicating that curcumin inhibits an initial step of tau aggregation. In addition, curcumin inhibited tau fibril formation. Furthermore, the effect of curcumin on the preformed tau filaments was analyzed by atomic force microscopy, transmission electron microscopy, and 90° light scattering. Curcumin treatment disintegrated preformed tau filaments. The results indicated that curcumin inhibited the oligomerization of tau and could disaggregate tau filaments.

Destroying activity of magnetoferritin on lysozyme amyloid fibrils

NASA Astrophysics Data System (ADS)

Kopcansky, Peter; Siposova, Katarina; Melnikova, Lucia; Bednarikova, Zuzana; Timko, Milan; Mitroova, Zuzana; Antosova, Andrea; Garamus, Vasil M.; Petrenko, Viktor I.; Avdeev, Mikhail V.; Gazova, Zuzana

2015-03-01

Presence of protein amyloid aggregates (oligomers, protofilaments, fibrils) is associated with many diseases as diabetes mellitus or Alzheimer's disease. The interaction between lysozyme amyloid fibrils and magnetoferritin loaded with different amount of iron atoms (168 or 532 atoms) has been investigated by small-angle X-rays scattering and thioflavin T fluorescence measurements. Results suggest that magnetoferritin caused an iron atom-concentration dependent reduction of lysozyme fibril size.

Quantum decoherence in electronic current flowing through carbon nanotubes induced by thermal atomic vibrations

NASA Astrophysics Data System (ADS)

Ishizeki, Keisuke; Sasaoka, Kenji; Konabe, Satoru; Souma, Satofumi; Yamamoto, Takahiro

2018-06-01

We theoretically investigate quantum decoherence in electronic currents flowing through metallic carbon nanotubes caused by thermal atomic vibrations using the time-dependent Schrödinger equation for an open system. We reveal that the quantum coherence of conduction electrons decays exponentially with tube length at a fixed temperature, and that the decay rate increases with temperature. We also find that the phase relaxation length due to the thermal atomic vibrations is inversely proportional to temperature.

Is localized infrared spectroscopy now possible in the electron microscope?

PubMed

Rez, Peter

2014-06-01

The recently developed in-column monochromators make it possible to record energy-c spectra with resolutions better than 30 meV from nanometer-sized regions. It should therefore in principle be possible to detect localized vibrational excitations. The scattering geometry in the electron microscope means that bond stretching in the specimen plane or longitudinal optic phonons dominate the scattering. Most promising for initial studies are vibrations with energies between 300 and 400 meV from hydrogen bonded to other atoms. Estimates of the scattering cross-sections on the basis of a simple model show that they are about the same as inner shell scattering cross-sections. Cross-sections also increase with charge transfer between the atoms, and theory incorporating realistic charge distributions shows that signal/noise is the only limitation to high-resolution imaging. Given the magnitude of the scattering cross-sections, minimizing the tail of the zero-loss peak is just as important as achieving a small-width at half-maximum. Improvements in both resolution and controlling the zero-loss tail will be necessary before it is practical to detect optic phonons in solids between 40 and 60 meV.