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

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At least 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Hierarchical optimization for neutron scattering problems

We present a scalable optimization method for neutron scattering problems that determines confidence regions of simulation parameters in lattice dynamics models used to fit neutron scattering data for crystalline solids. The method uses physics-based hierarchical dimension reduction in both the computational simulation domain and the parameter space. We demonstrate for silicon that after a few iterations the method converges to parameters values (interatomic force-constants) computed with density functional theory simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

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

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 materials systems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Anisotropic impurity states, quasiparticle scattering and nematic transport in underdoped Ca(Fe1-xCo x )2As2

Iron-based high-temperature superconductivity develops when the ‘parent’ antiferromagnetic/orthorhombic phase is suppressed, typically by introduction of dopant atoms1. But their impact on atomic-scale electronic structure, although in theory rather complex2,3,4,5,6,7,8,9,10,11,12,13, is unknown experimentally. What is known is that a strong transport anisotropy14,15,16,17,18,19,20,21,22,23,24,25 with its resistivity maximum along the crystal b axis14,15,16,17,18,19,20,21,22,23,24,25, develops with increasing concentration of dopant atoms14,20,21,22,23,24,25; this ‘nematicity’vanishes when the parent phase disappears near the maximum superconducting Tc. The interplay between the electronic structure surrounding each dopant atom, quasiparticle scattering therefrom and the transport nematicity has therefore become a pivotal focus7,8,12,22,23 of research into these materials. Here, by directly visualizing the atomic-scale electronic structure, we show that substituting Co for Fe atoms in underdoped Ca(Fe1-xCox)2As2 generates a dense population of identical anisotropic impurity states. Each is ~ 8 Fe–Fe unit cells in length, and all are distributed randomly but aligned with the antiferromagnetic a axis. By imaging their surrounding interference patterns, we further demonstrate that these impurity states scatter quasiparticles in a highly anisotropic manner, with the maximum scattering rate concentrated along the b axis. These data provide direct support for the recent proposals7,8,12,22,23 that it is primarily anisotropic scattering by dopant-induced impurity states that generates the transport nematicity; they also yield simple explanations for the enhancement of the nematicity proportional to the dopant density14,20,21,22,23,24,25 and for the occurrence of the highest resistivity along the b axis14,15,16,17,18,19,20,21,22,23,24,25.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

Trapping induced nonlinear behavior of backward stimulated Raman scattering in multi-speckled laser beams

In inertial confinement fusion experiments, stimulated Raman scattering (SRS) occurs when electron density fluctuations are amplified resonantly by the incident laser beams and scattered light. These beams comprise several thousands of individual laser speckles. We have found in single-speckle studies that electron trapping lowers the threshold intensity for SRS onset to a value below that from linear theory and enhances scattering. The trapping-induced plasma-wave frequency shift leads to wave-front bowing and filamentation processes that saturate SRS and limit scattering within a speckle. With large-scale simulations, we have now examined how laser speckles interact with one another through three-dimensional (3D) particle-in-cell (PIC) simulations of two interacting speckles and 2D PIC simulations of ensembles of laser speckles (hundreds of speckles). Our work shows that kinetic trapping physics also governs the onset and saturation of SRS in ensembles of speckles. Speckles interact in a manner that is nonlinear and nonlocal: An intense speckle can destabilize its neighbors through transport of hot electrons and SRS waves, resulting in enhanced emission of particles and waves that, in turn, act upon the original speckle. In this manner, speckles below threshold when in isolation can be above the threshold in multi-speckled beams under conditions for laser-driven fusion experiments at the National Ignition Facility (NIF) and ensembles of speckles are thus found to collectively lower the SRS onset threshold. Simulations of the hohlraum interior where laser beams overlap show that multi-speckled laser beams at low average intensity (a few times 10{sup 14} W/cm{sup 2}) have correspondingly lower thresholds for enhanced SRS and that the sub-ps bursts of SRS saturate through trapping induced nonlinearities. Because of electron trapping effects, SRS reflectivity grows slowly with average laser intensity. While SRS reflectivity saturates under NIF conditions, SRS hot electron energy increases with increasing laser intensity and may contribute to capsule preheat.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Response to 'Comment on 'Elastic incoherent neutron scattering operating by varying instrumental energy resolution: Principle, simulations, and experiments of the resolution elastic neutron scattering (RENS)'' [Rev. Sci. Instrum. 83, 107101 (2012)]

Recently [S. Magazu et al., Rev. Sci. Instrum. 82, 105115 (2011)] we have proposed a new method for characterizing, by neutron scattering, the dynamical properties of complex material systems, such as, the ones of interest in the biophysical field. This approach called Resolution Elastic Neutron Scattering, in short RENS, is based on the detection of the elastically scattered neutron intensity as a function of the instrumental energy resolution. By experimental, theoretical, and numerical findings, we have pointed out that an inflection point occurs in the elastic intensity when the system relaxation time approaches the instrumental energy resolution time. This approach, differently from quasi-elastic neutron scattering (QENS), gives the chance to evaluate the system relaxation times without using pre-defined models that can be wrong and/or misleading. Here, we reply to a Comment on the above-mentioned main paper in which Wuttke proposes a different approach to evaluate the above-mentioned inflection point; on this regard, it should be noticed that the existence of the inflection point, which is the main topic of our work, is not questioned and that the approach proposed by Wuttke in the Comment, although valid for a class of dynamical processes, is not applicable when different and distinct processes occur simultaneously at different time scale.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

Precision electroweak studies using parity violation in electron scattering

The nature of new neutral-current interactions can be revealed at the low-energy precision frontier, where studies of parity-violation in electron scattering will complement the energy-frontier studies at the LHC. Measurements of the parity-violating observable A{sub PV} - the cross-section asymmetry in the scattering of longitudinally polarized electrons from an unpolarized target - are sensitive to possible contact interactions from new physics at multi-TeV mass scales. The 12 GeV upgrade at JLab and a new, high-intensity beam at Mainz offer opportunities for significant improvements in measurements of electron-electron and electron-quark parity-violating interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

Rotationally inelastic scattering of methyl radicals with Ar and N{sub 2}

The rotationally inelastic scattering of methyl radical with Ar and N{sub 2} is examined at collision energies of 330 ± 25 cm{sup −1} and 425 ± 50 cm{sup −1}, respectively. Differential cross sections (DCSs) were measured for different final n′ rotational levels (up to n′ = 5) of the methyl radicals, averaged over k′ sub-levels, using a crossed molecular beam machine with velocity map imaging. For Ar as a collision partner, we present a newly constructed ab initio potential energy surface and quantum mechanical scattering calculations of state-resolved DCSs. These computed DCSs agree well with the measurements. The DCSs for both Ar and N{sub 2} collision partners are strongly forward peaked for all spectroscopic lines measured. For scattering angles below 60°, the theoretical CD{sub 3}–Ar DCSs show diffraction oscillations that become less pronounced as n′ increases, but these oscillations are not resolved experimentally. Comparisons are drawn with our recently reported DCSs for scattering of methyl radicals with He atoms.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Interpenetration and deflection phenomena in collisions between supersonic, magnetized, tungsten plasma flows diagnosed using high resolution optical Thomson scattering

An optical Thomson scattering diagnostic has been used to investigate collisions between supersonic, magnetized plasma flows, in particular the transition from collisionless to collisional interaction dynamics. These flows were produced using tungsten wire array z-pinches, driven by the 1.4 MA 240 ns Magpie generator at Imperial College London. Measurements of the collective-mode Thomson scattering ion-feature clearly indicate that the ablation flows are interpenetrating at 100 ns (after current start), and this interpenetration continues until at least 140 ns. The Thomson spectrum at 150 ns shows a clear change in the dynamics of the stream interactions, transitioning towards a collisional, shock-like interaction of the streams near the axis. The Thomson scattering data also provide indirect evidence of the presence of a significant toroidal magnetic field embedded in the “precursor” plasma near the axis of the array over the period 100–140 ns; these observations are in agreement with previous measurements [Swadling et al., Phys. Rev. Lett. 113, 035003 (2014)]. The Thomson scattering measurements at 150 ns suggest that this magnetic field must collapse at around the time the dense precursor column begins to form.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Regge trajectories of ordinary and non-ordinary mesons from their scattering poles

Our results on obtaining the Regge trajectory of a resonance from its pole in a scattering process and from analytic constraints in the complex angular momentum plane are presented. The method, suited for resonances that dominate an elastic scattering amplitude, has been applied to the ρ(770), f{sub 2}(1270), f{sub 2}(1525) and f{sub 0}(500) resonances. Whereas for the first three we obtain linear Regge trajectories, characteristic of ordinary quark-antiquark states, for the latter we find a non-linear trajectory with a much smaller slope at the resonance mass. We also show that if a linear trajectory with a slope of typical size is imposed for the f{sub 0}(500), the corresponding amplitude is at odds with the data. This provides a strong indication of the non-ordinary nature of the sigma meson.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Fluence-compensated down-scattered neutron imaging using the neutron imaging system at the National Ignition Facility

The Neutron Imaging System at the National Ignition Facility is used to observe the primary ∼14 MeV neutrons from the hotspot and down-scattered neutrons (6-12 MeV) from the assembled shell. Due to the strong spatial dependence of the primary neutron fluence through the dense shell, the down-scattered image is convolved with the primary-neutron fluence much like a backlighter profile. Using a characteristic scattering angle assumption, we estimate the primary neutron fluence and compensate the down-scattered image, which reveals information about asymmetry that is otherwise difficult to extract without invoking complicated models.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Identifying a descriptor for d-orbital delocalization in cathodes of Li batteries based on x-ray Compton scattering

We discuss how x-ray Compton scattering spectra can be used for investigating the evolution of electronic states in cathode materials of Li batteries under the lithiation/delithiation process. In particular, our analysis of the Compton spectra taken from polycrystalline Li{sub x}CoO{sub 2} samples shows that the spectra are dominated by the contribution of the O-2p redox orbital. We identify a distinct signature of d-orbital delocalization, which is tied directly to the conductivity of the material, providing a descriptor based on Compton spectra for monitoring the lithiation range with improved conductivity and kinetics for electrochemical operation. Our study demonstrates that Compton scattering spectroscopy can provide a window for probing complex electronic mechanisms underlying the charging and discharging processes in Li-battery materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Measuring and modeling diffuse scattering in protein X-ray crystallography

X-ray diffraction has the potential to provide rich information about the structural dynamics of macromolecules. To realize this potential, both Bragg scattering, which is currently used to derive macromolecular structures, and diffuse scattering, which reports on correlations in charge density variations, must be measured. Until now, measurement of diffuse scattering from protein crystals has been scarce because of the extra effort of collecting diffuse data. Here, we present 3D measurements of diffuse intensity collected from crystals of the enzymes cyclophilin A and trypsin. The measurements were obtained from the same X-ray diffraction images as the Bragg data, using best practices for standard data collection. To model the underlying dynamics in a practical way that could be used during structure refinement, we tested translation–libration–screw (TLS), liquid-like motions (LLM), and coarse-grained normal-modes (NM) models of protein motions. The LLM model provides a global picture of motions and was refined against the diffuse data, whereas the TLS and NM models provide more detailed and distinct descriptions of atom displacements, and only used information from the Bragg data. Whereas different TLS groupings yielded similar Bragg intensities, they yielded different diffuse intensities, none of which agreed well with the data. In contrast, both the LLM and NM models agreed substantially with the diffuse data. In conclusion, these results demonstrate a realistic path to increase the number of diffuse datasets available to the wider biosciences community and indicate that dynamics-inspired NM structural models can simultaneously agree with both Bragg and diffuse scattering.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Laser scattering by submicron droplets formed during the electrical explosion of thin metal wires

Abstract This paper presents the results of studying dispersed media formation during the electrical explosion of thin metal wires in vacuum by using low-current generators (~1–10 kA). Particular attention is paid to the analysis of the composition and structure of the corresponding explosion products as well as to the problem of their visualization using simultaneous laser interferometry and shadow imaging at two wavelengths (1.064 µ m and 0.532 µ m). Our findings indicate the important role in the visualization of the explosion products that belongs to multiple scattering by submicron droplets of dense condensed matter, which are mixed with metal vapor. The hypothesis on the existence of submicron droplets in the products of exploding metal wires correlates with the results obtained by soft x-ray radiography combined with a laser probing technique. Taking into account the multiple scattering by submicron droplets, it is possible to significantly clarify the parameters of the explosion products visualized via laser probing techniques as well as to gain a deeper insight into the physics behind the electrical wire explosion.

Physics↗
DOE OSTI2017

Neutron and x-ray scattering study of phonon dispersion and diffuse scattering in ( Na , Bi ) Ti O 3 - x BaTi O 3 single crystals near the morphotropic phase boundary

Neutron and x-ray scattering measurements were performed on (Na 1/2 Bi 1/2 )TiO 3-x at % BaTiO 3 (NBT-xBT) single crystals (x = 4, 5, 6.5, and 7.5) across the morphotropic phase boundary (MPB), as a function of both composition and temperature, and probing both structural and dynamical aspects. In addition to the known diffuse scattering pattern near the gamma points, our measurements revealed new, faint superlattice peaks, as well as an extensive diffuse scattering network, revealing a short-range ordering of polar nanoregions (PNR) with a static stacking morphology. Furthermore, in samples with compositions closest to the MPB, our inelastic neutron scattering investigations of the phonon dynamics showed two unusual features in the acoustic phonon branches, between the superlattice points, and between the superlattice points and gamma points, respectively. Finally, these critical elements are not present in the other compositions away from the MPB, which suggests that these features may be related to the tilt modes coupling behavior near the MPB.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Fast emulation of quantum three-body scattering

Here, we develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are first trained by the exact scattering solutions of the governing Hamiltonian at a small number of points in its parameter space, and then employed to make interpolations and extrapolations in that space. Through a schematic nuclear-physics model with finite-range two and three-body interactions, we demonstrate the emulators to be extremely accurate and efficient. The computing time for emulation is on the scale of milliseconds (on a laptop), with relative errors ranging from 10 –13 to 10 –4 depending on the case. The emulators also require little memory. We argue that these emulators can be generalized to even more challenging scattering problems. Furthermore, this general strategy may be applicable for building the same type of emulators in other fields, wherever variational methods can be developed for evaluating physical models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2013

Refinement of the crystal structure of the high-temperature phase G{sub 0} in (NH{sub 4}){sub 2}WO{sub 2}F{sub 4} (powder, X-ray, and neutron scattering)

The (NH{sub 4}){sub 2}WO{sub 2}F{sub 4} compound undergoes a series of phase transitions: G{sub 0} {yields} 201, K {yields} G{sub 1} {yields} 160, and K {yields} G{sub 2}, with a significant change in entropy ({Delta}S{sub 1} {approx} Rln10 at the G{sub 0} {yields} G{sub 1} transition), which indicates significant orientational disordering in the G{sub 0} phase and the order-disorder type of the phase transition. X-ray diffraction is used to identify the crystal structure of the G{sub 0} phase as rhombohedral (sp. gr. Cmcm, Z = 4), determine the lattice parameters and the positions of all atoms (except hydrogen), and show that [WO{sub 2}F{sub 4}]{sup 2-} ions can form a superposition of dynamic and static orientational disorders in the anionic sublattice. A determination of the orientational position of [NH{sub 4}]{sup +} ions calls for the combined method of elastic and inelastic neutron scattering. Inelastic neutron scattering is used to determine the state of hindered rotation for ammonium ions in the G{sub 0} phase. Powder neutron diffraction shows that the orientational disorder of NH{sub 4} ions can adequately be described within the free-rotation approximation.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Precise polarization measurements via detection of compton scattered electrons

The Qweak experiment at Jefferson Lab aims to make a 4% measurement of the parity-violating asymmetry in elastic scattering at very low Q{sup 2} of a longitudinally polarized electron beam off a proton target. One of the dominant experimental systematic uncertainties in Qweak will result from determining the beam polarization. A new Compton polarimeter was installed in the fall of 2010 to provide a non-invasive and continuous monitoring of the electron beam polarization in Hall C at Jefferson Lab. The Compton-scattered electrons are detected in four planes of diamond micro-strip detectors. We have achieved the design goals of <1% statistical uncertainty per hour and expect to achieve <1% systematic uncertainty.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗