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At least 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Magnetic excitations in underdoped Ba(Fe1-xCox)2As2 with x=0.047

The magnetic excitations in the paramagnetic-tetragonal phase of underdoped Ba(Fe0.953Co0.047)2As2, as measured by inelastic neutron scattering, can be well described by a phenomenological model with purely diffusive spin dynamics. At low energies, the spectrum around the magnetic ordering vector QAFM consists of a single peak with elliptical shape in momentum space. At high energies, this inelastic peak is split into two peaks across the direction perpendicular to QAFM. We use our fittings to argue that such a splitting is not due to incommensurability or propagating spin-wave excitations, but is rather a consequence of the anisotropies in the Landau damping and in the magnetic correlation length, both of which are allowed by the tetragonal symmetry of the system. We also measure the magnetic spectrum deep inside the magnetically ordered phase, and find that it is remarkably similar to the spectrum of the paramagnetic phase, revealing the strongly overdamped character of the magnetic excitations.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Photoacoustic detection and optical spectroscopy of high-intensity focused ultrasound-induced thermal lesions in biologic tissue

Purpose: The aims of this study are: (a) to investigate the capability of photoacoustic (PA) method in detecting high-intensity focused ultrasound (HIFU) treatments in muscle tissuesin vitro; and (b) to determine the optical properties of HIFU-treated and native tissues in order to assist in the interpretation of the observed contrast in PA detection of HIFU treatments. Methods: A single-element, spherically concaved HIFU transducer with a centre frequency of 1 MHz was utilized to create thermal lesions in chicken breast tissuesin vitro. To investigate the detectability of HIFU treatments photoacoustically, PA detection was performed at 720 and 845 nm on seven HIFU-treated tissue samples. Within each tissue sample, PA signals were acquired from 22 locations equally divided between two regions of interest within two volumes in tissue – a HIFU-treated volume and an untreated volume. Optical spectroscopy was then carried out on 10 HIFU-treated chicken breast specimens in the wavelength range of 500–900 nm, in 1-nm increments, using a spectrophotometer with an integrating sphere attachment. The authors’ optical spectroscopy raw data (total transmittance and diffuse reflectance) were used to obtain the optical absorption and reduced scattering coefficients of HIFU-induced thermal lesions and native tissues by employing the inverse adding-doubling method. The aforementioned interaction coefficients were subsequently used to calculate the effective attenuation coefficient and light penetration depth of HIFU-treated and native tissues in the wavelength range of 500–900 nm. Results: HIFU-treated tissues produced greater PA signals than native tissues at 720 and 845 nm. At 720 nm, the averaged ratio of the peak-to-peak PA signal amplitude of HIFU-treated tissue to that of native tissue was 3.68 ± 0.25 (mean ± standard error of the mean). At 845 nm, the averaged ratio of the peak-to-peak PA signal amplitude of HIFU-treated tissue to that of native tissue was 3.75 ± 0.26 (mean ± standard error of the mean). The authors’ spectroscopic investigation has shown that HIFU-treated tissues have a greater optical absorption and reduced scattering coefficients than native tissues in the wavelength range of 500–900 nm. In fact, at 720 and 845 nm, the ratio of the optical absorption coefficient of HIFU-treated tissues to that of native tissues was 1.13 and 1.17, respectively; on the other hand, the ratio of the reduced scattering coefficient of HIFU-treated tissues to that of native tissues was 13.22 and 14.67 at 720 and 845 nm, respectively. Consequently, HIFU-treated tissues have a higher effective attenuation coefficient and a lower light penetration depth than native tissues in the wavelength range 500–900 nm. Conclusions: Using a PA approach, HIFU-treated tissues interrogated at 720 and 845 nm optical wavelengths can be differentiated from untreated tissues. Based on the authors’ spectroscopic investigation, the authors conclude that the observed PA contrast between HIFU-induced thermal lesions and untreated tissue is due, in part, to the increase in the optical absorption coefficient, the reduced scattering coefficient and, therefore, the deposited laser energy fluence in HIFU-treated tissues.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Remarks on the thesis of Aitor Bengoechea Fernández: Generalization of Doppler effect processing using S(α,β) thermal diffusion laws

The thesis titled “Generalization of Doppler effect processing using S(α,β) thermal diffusion laws” addresses a critical gap in the modeling of neutron scattering phenomena in nuclear materials, particularly where crystal lattice effects intersect with low-energy resonances. Conducted within the Doctoral School ED 352 at Aix-Marseille Université and hosted at CEA Cadarache, the research presents a theoretical and numerical framework for extending the applicability of Thermal Scattering Laws (TSLs) using higher-order correlation functions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2017

Warm Ionized Medium throughout the Sagittarius–Carina Arm

Wisconsin H-Alpha Mapper observations of Hα and [S ii] λ6716 emission are used to trace the vertical distribution and physical conditions of the warm ionized medium along the Sagittarius–Carina arm. CO emission, tracing cold molecular gas in the plane of the Galaxy, is used as a guide to isolate Hα and [S ii] λ6716 emission along individual spiral arms. Exponential scale heights of electron density squared (or emission measure) are determined using Hα emission above (below) the midplane to be 330±80 pc (550±230 pc) along the near Sagittarius arm, 300±100 pc (250±30 pc) along the near Carina arm, and >1000 pc along the far Carina arm. The emission measure scale height tends to increase as a function of Galactocentric radius along the Sagittarius–Carina arm for R{sub G}>8 kpc. Physical conditions of the ionized gas are analyzed using the [S ii]/Hα line ratio, which more closely traces I {sub Hα} than height above the plane, z, suggesting a stronger relationship with the in situ electron density. We interpret this result as further evidence for the majority of the observed diffuse emission originating from in situ ionized gas as opposed to scattered light from classical H ii regions in the plane.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2012

RANDOM BALLISTIC INTERPRETATION OF NONLINEAR GUIDING CENTER THEORY

Nonlinear guiding center (NLGC) theory has been used to explain the asymptotic perpendicular diffusion coefficient {kappa} of energetic charged particles in a turbulent magnetic field, which can be applied to better understand cosmic ray transport. Here we re-derive NLGC, replacing the assumption of diffusive decorrelation with random ballistic decorrelation (RBD), which yields an explicit formula for {kappa} . We note that scattering processes can cause a reversal of the guiding center motion along the field line, i.e., 'backtracking', leading to partial cancellation of contributions to {kappa}, especially for low-wavenumber components of the magnetic turbulence. We therefore include a heuristic backtracking correction (BC) that can be used in combination with RBD. In comparison with computer simulation results for various cases, NLGC with RBD and BC provides a substantially improved characterization of the perpendicular diffusion coefficient for a fluctuation amplitude less than or equal to the large-scale magnetic field.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Particle acceleration via reconnection processes in the supersonic solar wind

An emerging paradigm for the dissipation of magnetic turbulence in the supersonic solar wind is via localized small-scale reconnection processes, essentially between quasi-2D interacting magnetic islands. Charged particles trapped in merging magnetic islands can be accelerated by the electric field generated by magnetic island merging and the contraction of magnetic islands. We derive a gyrophase-averaged transport equation for particles experiencing pitch-angle scattering and energization in a super-Alfvénic flowing plasma experiencing multiple small-scale reconnection events. A simpler advection-diffusion transport equation for a nearly isotropic particle distribution is derived. The dominant charged particle energization processes are (1) the electric field induced by quasi-2D magnetic island merging and (2) magnetic island contraction. The magnetic island topology ensures that charged particles are trapped in regions where they experience repeated interactions with the induced electric field or contracting magnetic islands. Steady-state solutions of the isotropic transport equation with only the induced electric field and a fixed source yield a power-law spectrum for the accelerated particles with index α = –(3 + M{sub A} )/2, where M{sub A} is the Alfvén Mach number. Considering only magnetic island contraction yields power-law-like solutions with index –3(1 + τ {sub c}/(8τ{sub diff})), where τ {sub c}/τ{sub diff} is the ratio of timescales between magnetic island contraction and charged particle diffusion. The general solution is a power-law-like solution with an index that depends on the Alfvén Mach number and the timescale ratio τ{sub diff}/τ {sub c}. Observed power-law distributions of energetic particles observed in the quiet supersonic solar wind at 1 AU may be a consequence of particle acceleration associated with dissipative small-scale reconnection processes in a turbulent plasma, including the widely reported c {sup –5} (c particle speed) spectra observed by Fisk and Gloeckler and Mewaldt et al.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Na ion dynamics in P2-Na x [Ni 1/3 Ti 2/3 ]O 2 : a combination of quasi-elastic neutron scattering and first-principles molecular dynamics study

In this work, the P2-type layered material Na 2/3 [Ni 1/3 Ti 2/3 ]O 2 was studied as a promising bi-functional electrode material for sodium-ion batteries. To assess the electrochemical performance of this material, we investigated the diffusion mechanism as well as ionic and electronic conductivity with a combination of experimental and computational techniques. The quasi-elastic neutron scattering (QENS) experiments and first-principles molecular dynamics (FPMD) simulations were performed to identify the diffusion mechanism. The QENS data showed that Na ion diffusion can be well described by the Singwi–Sjölander jump diffusion model, where the obtained mean jump length matched the distances between the neighboring edge-share and face-share Na sites. FPMD predicted diffusivity values similar to those from QENS. The computed composition dependence of ionic and electronic conductivity of Na x [Ni 1/3 Ti 2/3 ]O 2 suggested that electronic conductivity changes significantly when x deviates from 2/3 as the redox couple of Ni and Ti is activated, while the change of ionic conductivity with x is relatively small.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Diffusion characteristics of water molecules in a lamellar structure formed by triblock copolymers

The distribution and diffusion of water molecules are playing important roles in determining self-assembly and transport properties of polymeric systems. Small-angle neutron scattering (SANS) experiments and molecular dynamics (MD) simulation have been applied to understand the distribution of water molecules and their dynamics in the lamellar membrane formed by Pluronic L62 block copolymers. Penetration of water molecules into the polyethylene oxide (PEO) layers of the membranes has been estimated using scattering length density (SLD) profiles obtained from SANS measurements, which agree well with the molecular distribution observed from MD simulations. The water diffusion coefficient at different regions of the lamellar membrane was further investigated using MD simulation. The diffusion characteristic shows a transition from normal to anomalous diffusion as the position of the water molecule changes from the bulk to PEO and to the polypropylene oxide (PPO) layer. Here we find that water molecules within the PEO or PPO layers follow subdiffusive dynamics, which can be interpreted by the model of fractional Brownian motion.

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

Update on NNL TSL Evaluations and Validation [Slides]

12 new/revised TSL evaluations were contributed to ENDF/B-VIII.1. The thermal diffusion length $L$ is an integral property of a single material’s absorption and scattering cross sections (both differential and integral). No other neutron reactions or materials are involved. The MC21-calculated $L$ for water is consistent with the spread of experimental data and is sufficiently sensitive to different H-H 2 O TSL physics models to use the method as a TSL integral performance benchmark. Modern high-quality diffusion experiments at elevated $T$ would allow direct low-cost physics benchmarking of water TSLs when public elevated-$T$ critical benchmarks are limited. NNL is working with LLNL and RPI to develop experimental PNDA capability. An ICSBEP Fundamental Physics benchmark of the Nassar and Murphy PNDA experiment is being developed to provide an example of how to evaluate these type of benchmarks.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Asymmetric rotations slow down diffusion under confinement

Translation and rotation are the two most fundamental forms of diffusion, yet their coupling mechanism is not clear, especially under confinement. Here, we provided evidence of the coupling between rotation and translation using a substituted benzene molecule as an example. A counterintuitive behavior was observed where the movement of the smaller molecule with an asymmetric shape was unexpectedly slower than the larger one with a symmetric shape in confined channels of zeolite. We showed that this diffusion behavior was caused by the presence of the specific and selective interaction of the asymmetric guest with the pores, which increased the local restricted residence time, thus inhibiting the translation under confinement, as further confirmed by dynamic breakthrough curves, uptake measurements, quasi-elastic neutron scattering, and 2 H solid-state NMR techniques. Our work correlated asymmetric rotation and diffusion under a confined environment, which enriched our understanding of the coupling between rotation and translation and could shed light on a fundamental understanding of the diffusion process.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Multitiered computational methodology for extracting three-dimensional rotational diffusion coefficients from x-ray photon correlation spectroscopy data without structural information

X-ray photon correlation spectroscopy (XPCS) is a powerful technique for analyzing particle systems by investigating their dynamics in suspensions across a broad range of temporal and spatial scales. This is done by illuminating samples with coherent x-ray beams and calculating the correlation function of the obtained x-ray scattering images. XPCS is uniquely suited for studying Brownian dynamics, consisting of translational and rotational diffusion. While traditional XPCS image analysis techniques can extract translational diffusion components, they are unable to estimate rotational diffusion coefficients. Here, we introduce a methodology that combines the angular-temporal cross-correlation analysis and a algorithmic framework called Multi-Tiered Estimation for Correlation Spectroscopy in 3D for estimating three-dimensional rotational diffusion coefficients from XPCS images of three-dimensional particle systems. We demonstrate our methodology for extracting rotational diffusion coefficients from XPCS data by applying it to simulated noisy x-ray images of systems of crossing nanotubes and proteins that evolve under translational and rotational Brownian motion for different diffusion rates. Furthermore, our results show that our approach determines rotational diffusion coefficients within a few percent error.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2016

Rarefaction-driven Rayleigh–Taylor instability. Part 1. Diffuse-interface linear stability measurements and theory

Theory and experiments are reported that explore the behaviour of the Rayleigh–Taylor instability initiated with a diffuse interface. Experiments are performed in which an interface between two gases of differing density is made unstable by acceleration generated by a rarefaction wave. Well-controlled, diffuse, two-dimensional and three-dimensional, single-mode perturbations are generated by oscillating the gases either side to side, or vertically for the three-dimensional perturbations. The puncturing of a diaphragm separating a vacuum tank beneath the test section generates a rarefaction wave that travels upwards and accelerates the interface downwards. This rarefaction wave generates a large, but non-constant, acceleration of the order of $1000g_{0}$ , where $g_{0}$ is the acceleration due to gravity. Initial interface thicknesses are measured using a Rayleigh scattering diagnostic and the instability is visualized using planar laser-induced Mie scattering. Growth rates agree well with theoretical values, and with the inviscid, dynamic diffusion model of Duff et al. ( Phys. Fluids , vol. 5, 1962, pp. 417–425) when diffusion thickness is accounted for, and the acceleration is weighted using inviscid Rayleigh–Taylor theory. The linear stability formulation of Chandrasekhar ( Proc. Camb. Phil. Soc. , vol. 51, 1955, pp. 162–178) is solved numerically with an error function diffusion profile using the Riccati method. This technique exhibits good agreement with the dynamic diffusion model of Duff et al. for small wavenumbers, but produces larger growth rates for large-wavenumber perturbations. Asymptotic analysis shows a $1/k^{2}$ decay in growth rates as $k\rightarrow \infty$ for large-wavenumber perturbations.

42 ENGINEERING↗
DOE OSTI2015

EVOLUTION OF A RING AROUND THE PLUTO–CHARON BINARY

We consider the formation of satellites around the Pluto–Charon binary. An early collision between the two partners likely produced the binary and a narrow ring of debris, out of which arose the moons Styx, Nix, Kerberos, and Hydra. How the satellites emerged from the compact ring is uncertain. Here we show that a particle ring spreads from physical collisions and collective gravitational scattering, similar to migration. Around a binary, these processes take place in the reference frames of “most circular” orbits, akin to circular ones in a Keplerian potential. Ring particles damp to these orbits and avoid destructive collisions. Damping and diffusion also help particles survive dynamical instabilities driven by resonances with the binary. In some situations, particles become trapped near resonances that sweep outward with the tidal evolution of the Pluto–Charon binary. With simple models and numerical experiments, we show how the Pluto–Charon impact ring may have expanded into a broad disk, out of which grew the circumbinary moons. In some scenarios, the ring can spread well beyond the orbit of Hydra, the most distant moon, to form a handful of smaller satellites. If these small moons exist, New Horizons will find them.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Evolution of Binary Supermassive Black Holes in Rotating Nuclei

The interaction of a binary supermassive black hole with stars in a galactic nucleus can result in changes to all the elements of the binary’s orbit, including the angles that define its orientation. If the nucleus is rotating, the orientation changes can be large, causing large changes in the binary’s orbital eccentricity as well. We present a general treatment of this problem based on the Fokker–Planck equation for f , defined as the probability distribution for the binary’s orbital elements. First- and second-order diffusion coefficients are derived for the orbital elements of the binary using numerical scattering experiments, and analytic approximations are presented for some of these coefficients. Solutions of the Fokker–Planck equation are then derived under various assumptions about the initial rotational state of the nucleus and the binary hardening rate. We find that the evolution of the orbital elements can become qualitatively different when we introduce nuclear rotation: (1) the orientation of the binary’s orbit evolves toward alignment with the plane of rotation of the nucleus and (2) binary orbital eccentricity decreases for aligned binaries and increases for counteraligned ones. We find that the diffusive (random-walk) component of a binary’s evolution is small in nuclei with non-negligible rotation, and we derive the time-evolution equations for the semimajor axis, eccentricity, and inclination in that approximation. The aforementioned effects could influence gravitational wave production as well as the relative orientation of host galaxies and radio jets.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Microscopic diffusion in hydrated encysted eggs of brine shrimp

We have studied microscopic diffusion of water in fully hydrated encysted eggs of brine shrimp (Artemia). We utilized quasielastic neutron scattering. Dry eggs of brine shrimp were rehydrated using (1) water without additives, (2) eutectic mixture of water and dimethyl sulfoxide, and (3) a concentrated aqueous solution of lithium chloride. Despite the complexity of the hydrated multicellular organism, measurable microscopic diffusivity of water is rather well defined. Pure hydration water in eggs exhibits freezing temperature depression, whereas hydration water in eggs mixed with dimethyl sulfoxide or lithium chloride does not crystallize at all. The characteristic size of the voids occupied by water or aqueous solvents in hydrated brine shrimp eggs is between 2 and 10 nm. Those voids are accessible to co-solvents such as dimethyl sulfoxide and lithium chloride. There is no evidence of intracellular water in the hydrated eggs. The lack of intracellular water in the fully hydrated (but still under arrested development) state must be linked to the unique resilience against adverse environmental factors documented not only for the anhydrous, but also hydrated encysted eggs of brine shrimp.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

TEMPORAL SMEARING OF TRANSIENT RADIO SOURCES BY THE INTERGALACTIC MEDIUM

The temporal smearing of impulsive radio events at cosmological redshifts probes the properties of the ionized intergalactic medium (IGM). We relate the degree of temporal smearing and the profile of a scattered source to the evolution of a turbulent structure in the IGM as a function of redshift. We estimate the degree of scattering expected by analyzing the contributions to the scattering measure of the various components of baryonic matter embedded in the IGM, including the diffuse IGM, intervening galaxies, and intracluster gas. These estimates predict that the amount of temporal smearing expected at 300 MHz is typically as low as ∼1 ms and suggests that these bursts may be detectable with low-frequency widefield arrays. A generalization of the dispersion-measure-scattering-measure relation observed for Galactic scattering to the densities and turbulent conditions relevant to the IGM suggests that scattering measures on the order of 10{sup –6} kpc m{sup –20/3} would be expected at z ∼ 1. This scattering is sufficiently low enough that its effects would not, for most lines of sight, be manifested in existing observations of the scatter broadening in images of extragalactic compact sources. The redshift dependence on the temporal smearing discriminates between scattering that occurs in the host galaxy of the burst and the IGM, with τ{sub host}∝(1 + z){sup –3} if the scattering probes length scales below the inner scale of the turbulence or τ{sub host}∝(1 + z){sup –17/5} if the turbulence follows a Kolmogorov spectrum. This differs strongly from the expected IGM scaling τ{sub IGM} ∼ z {sup 2} for z ∼< 1 and (1 + z){sup 0.2–0.5} for z ∼> 1.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Double-layer composite film based on hollow TiO{sub 2} boxes and P25 as photoanode for enhanced efficiency in dye-sensitized solar cells

Highlights: • A novel TiO{sub 2} double-layer composite film is successfully fabricated. • The TiO{sub 2}-HB overlayer exhibited intense scattering ability. • The P25 particles underlayer can enlarge the contact area and increase the contact points between TiO{sub 2}-HB and FTO glass. • TiO{sub 2}-DLL film cells have the maximum conversion efficiency. - Abstract: A TiO{sub 2} double-layer composite film consisting of hollow TiO{sub 2} boxes (HB-TiO{sub 2}) as overlayer and commercial-grade TiO{sub 2} nanoparticles (P25) as underlayer is designed as the photoelectrode of dye-sensitized solar cells (DSSCs). The hollow TiO{sub 2} box has been employed as light-scattering part to increase the optical length in the film and enhance light-harvesting. It was found that the double-layer film cell with lower absorbed dye achieved the highest conversion efficiency and reach up to a maximum value of 6.4%, which is 226% higher than that of pure HB-TiO{sub 2} film cell (η = 1.96%) and 57.2% higher than that of pure P25 particles film cell under identical film thickness at a constant irradiation of 100 mW cm{sup −2}. The enhanced efficiency of double-layer film can be attributed to its light-scattering capability.

36 MATERIALS SCIENCE↗