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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 1,225 records · Page 68
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Quantitative analysis of the correlations in the Boltzmann-Grad limit for hard spheres

In this contribution I consider the problem of the validity of the Boltzmann equation for a system of hard spheres in the Boltzmann-Grad limit. I briefly review the results available nowadays with a particular emphasis on the celebrated Lanford’s validity theorem. Finally I present some recent results, obtained in collaboration with S. Simonella, concerning a quantitative analysis of the propagation of chaos. More precisely we introduce a quantity (the correlation error) measuring how close a j-particle rescaled correlation function at time t (sufficiently small) is far from the full statistical independence. Roughly speaking, a correlation error of order k, measures (in the context of the BBKGY hierarchy) the event in which k tagged particles form a recolliding group.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Phase behavior of a family of truncated hard cubes

In continuation of our work in Gantapara et al., [Phys. Rev. Lett. 111, 015501 (2013)], we investigate here the thermodynamic phase behavior of a family of truncated hard cubes, for which the shape evolves smoothly from a cube via a cuboctahedron to an octahedron. We used Monte Carlo simulations and free-energy calculations to establish the full phase diagram. This phase diagram exhibits a remarkable richness in crystal and mesophase structures, depending sensitively on the precise particle shape. In addition, we examined in detail the nature of the plastic crystal (rotator) phases that appear for intermediate densities and levels of truncation. Our results allow us to probe the relation between phase behavior and building-block shape and to further the understanding of rotator phases. Furthermore, the phase diagram presented here should prove instrumental for guiding future experimental studies on similarly shaped nanoparticles and the creation of new materials.

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

Hard disk drive based microsecond x-ray chopper for characterization of ionization chambers and photodiodes

A fast X-ray chopper capable of producing ms long X-ray pulses with a typical rise time of few μs was realized. It is ideally suited to investigate the temporal response of X-ray detectors with response times of the order of μs to ms, in particular, any kind of ionization chambers and large area photo diodes. The drive mechanism consists of a brushless DC motor and driver electronics from a common hard disk drive, keeping the cost at an absolute minimum. Due to its simple construction and small dimensions, this chopper operates at home lab based X-ray tubes and synchrotron radiation sources as well. The dynamics of the most important detectors used in time resolved X-ray absorption spectroscopy, namely, ionization chambers and Passivated Implanted Planar Silicon photodiodes, were investigated in detail. The results emphasize the applicability of this X-ray chopper.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Heat and particle transport in a one-dimensional hard-point gas model with on-site potential

Heat and particle transport in a one-dimensional hard-point gas of elastically colliding particles are studied. In the nonequal mass case, due to the presence of on-site potential, the heat conduction of the model obeys the Fourier law and all the transport coefficients asymptotically approach constants in the thermodynamic limit. The thermoelectric figure of merit ZT increases slowly with the system length L and is proportional to the height of the potential barriers H in high H regime. These findings may serve as a guide for future theoretical and experimental studies.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Two-Yukawa fluid at a hard wall: Field theory treatment

We apply a field-theoretical approach to study the structure and thermodynamics of a two-Yukawa fluid confined by a hard wall. We derive mean field equations allowing for numerical evaluation of the density profile which is compared to analytical estimations. Beyond the mean field approximation, analytical expressions for the free energy, the pressure, and the correlation function are derived. Subsequently, contributions to the density profile and the adsorption coefficient due to Gaussian fluctuations are found. Both the mean field and the fluctuation terms of the density profile are shown to satisfy the contact theorem. We further use the contact theorem to improve the Gaussian approximation for the density profile based on a better approximation for the bulk pressure. The results obtained are compared to computer simulation data.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Imaging the equilibrium state and magnetization dynamics of partially built hard disk write heads

Four different designs of partially built hard disk write heads with a yoke comprising four repeats of NiFe (1 nm)/CoFe (50 nm) were studied by both x-ray photoemission electron microscopy (XPEEM) and time-resolved scanning Kerr microscopy (TRSKM). These techniques were used to investigate the static equilibrium domain configuration and the magnetodynamic response across the entire structure, respectively. Simulations and previous TRSKM studies have made proposals for the equilibrium domain configuration of similar structures, but no direct observation of the equilibrium state of the writers has yet been made. In this study, static XPEEM images of the equilibrium state of writer structures were acquired using x-ray magnetic circular dichroism as the contrast mechanism. These images suggest that the crystalline anisotropy dominates the equilibrium state domain configuration, but competition with shape anisotropy ultimately determines the stability of the equilibrium state. Dynamic TRSKM images were acquired from nominally identical devices. These images suggest that a longer confluence region may hinder flux conduction from the yoke into the pole tip: the shorter confluence region exhibits clear flux beaming along the symmetry axis, whereas the longer confluence region causes flux to conduct along one edge of the writer. The observed variations in dynamic response agree well with the differences in the equilibrium magnetization configuration visible in the XPEEM images, confirming that minor variations in the geometric design of the writer structure can have significant effects on the process of flux beaming.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Perturbation theory for multicomponent fluids based on structural properties of hard-sphere chain mixtures

An analytical expression for the Laplace transform of the radial distribution function of a mixture of hard-sphere chains of arbitrary segment size and chain length is used to rigorously formulate the first-order Barker-Henderson perturbation theory for the contribution of the segment-segment dispersive interactions into thermodynamics of the Lennard-Jones chain mixtures. Based on this approximation, a simple variant of the statistical associating fluid theory is proposed and used to predict properties of several mixtures of chains of different lengths and segment sizes. The theory treats the dispersive interactions more rigorously than the conventional theories and provides means for more accurate description of dispersive interactions in the mixtures of highly asymmetric components.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Controlled modulation of hard and soft X-ray induced tunneling currents utilizing coaxial metal-insulator-metal probe tips

Here, the effect of a local external electric field on the barrier potential of a tunneling gap is studied utilizing an emerging technique, synchrotron x-ray scanning tunneling microscopy. Here, we demonstrate that the shape of the potential barrier in the tunneling gap can be altered by a localized external electric field, generated by voltages placed on the metallic outer shield of a nanofabricated coaxial metal-insulator-metal tip, resulting in a controlled linear modulation of the tunneling current. Experiments at hard and soft x-ray synchrotron beamlines reveal that both the chemical contrast and magnetic contrast signals measured by the tip can be drastically enhanced, resulting in improved local detection of chemistry and magnetization at the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Experimental demonstration of a single-spike hard-X-ray free-electron laser starting from noise

In this letter, we report the experimental demonstration of single-spike hard-X-ray free-electron laser pulses starting from noise with multi-eV bandwidth. Here, this is accomplished by shaping a low-charge electron beam with a slotted emittance spoiler and by adjusting the transport optics to optimize the beam-shaping accuracy. Based on elementary free-electron laser scaling laws, we estimate the pulse duration to be less than 1 fs full-width at half-maximum.

43 PARTICLE ACCELERATORS↗
DOE OSTI2018

Characterization of free-standing InAs quantum membranes by standing wave hard x-ray photoemission spectroscopy

Free-standing nanoribbons of InAs quantum membranes (QMs) transferred onto a (Si/Mo) multilayer mirror substrate are characterized by hard x-ray photoemission spectroscopy (HXPS) and by standing-wave HXPS (SW-HXPS). Information on the chemical composition and on the chemical states of the elements within the nanoribbons was obtained by HXPS and on the quantitative depth profiles by SW-HXPS. By comparing the experimental SW-HXPS rocking curves to x-ray optical calculations, the chemical depth profile of the InAs(QM) and its interfaces were quantitatively derived with ångström precision. We determined that (i) the exposure to air induced the formation of an InAsO 4 layer on top of the stoichiometric InAs(QM); (ii) the top interface between the air-side InAsO 4 and the InAs(QM) is not sharp, indicating that interdiffusion occurs between these two layers; (iii) the bottom interface between the InAs(QM) and the native oxide SiO 2 on top of the (Si/Mo) substrate is abrupt. In addition, the valence band offset (VBO) between the InAs(QM) and the SiO 2 /(Si/Mo) substrate was determined by HXPS. The value of VBO = 0.2 ± 0.04 eV is in good agreement with literature results obtained by electrical characterization, giving a clear indication of the formation of a well-defined and abrupt InAs/SiO 2 heterojunction. We have demonstrated that HXPS and SW-HXPS are non-destructive, powerful methods for characterizing interfaces and for providing chemical depth profiles of nanostructures, quantum membranes, and 2D layered materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

X-ray ptychography on low-dimensional hard-condensed matter materials

Tailoring structural, chemical, and electronic (dis-)order in heterogeneous media is one of the transformative opportunities to enable new functionalities and sciences in energy and quantum materials. This endeavor requires elemental, chemical, and magnetic sensitivities at the nano/atomic scale in two- and three-dimensional space. Soft X-ray radiation and hard X-ray radiation provided by synchrotron facilities have emerged as standard characterization probes owing to their inherent element-specificity and high intensity. One of the most promising methods in view of sensitivity and spatial resolution is coherent diffraction imaging, namely, X-ray ptychography, which is envisioned to take on the dominance of electron imaging techniques offering with atomic resolution in the age of diffraction limited light sources. In this review, we discuss the current research examples of far-field diffraction-based X-ray ptychography on two-dimensional and three-dimensional semiconductors, ferroelectrics, and ferromagnets and their blooming future as a mainstream tool for materials sciences.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Simple imaging for the diamond anvil cell: Applications to hard-to-reach places

The employment of high-pressure gases as a pressure-transmitting medium, sample, or reactant for diamond anvil cell experiments is widespread. As a pressure transmitter, high-pressure gases are crucial to forming quasi-hydrostatic compression atmospheres for samples inside the uniaxially driven cell. We describe an optical design for forming high-resolution images of the gasket and sample chamber of the diamond anvil cell under high gas pressures in a gas loading apparatus. Our design is simple, is of low-cost, and may be easily adapted to suit gas loading apparatus of any design, as well as other common hard-to-reach environments in diamond anvil cell experiments, i.e., those with large stand-off distances, such as cryostats.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

One-minute nano-tomography using hard X-ray full-field transmission microscope

Full field transmission X-ray microscope (TXM) is a powerful technique for non-destructive 3D imaging with nanometer-scale spatial resolution. However, to date, the typical acquisition time with the hard X-ray TXM at a synchrotron facility is > 10 minutes for a 3D nano-tomography data set with sub-50 nm spatial resolution. This is a significant limit on the types of 3D dynamics that can be investigated using this technique. Here, we present a demonstration of one-minute nano-tomography with sub-50 nm spatial resolution. This achievement is made possible with an in-house designed and commissioned TXM instrument at the Full-field X-ray Imaging (FXI) beamline at the National Synchrotron Light Source-II (NSLS-II) at Brookhaven National Laboratory. This capability represents an order of magnitude decrease in the time required for studying sample dynamics with 10s of nm spatial resolution.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2019

Semi-hard magnetic nanocomposites based on out-of-equilibrium Fe 2+δ Nb and Fe 2+δ Ta Laves phases

Melt-spun Fe 100-x Nb x and Fe 100-x Ta x alloys consisting of a hexagonal (C14) Laves phase and an iron-based bcc phase were found to exhibit room-temperature coercivities up to 0.45 and 0.48 kOe, respectively. The non-equilibrium C14 structures in the melt-spun alloys are characterized by a smaller unit cell volume, a higher Curie temperature and, presumably, a greater concentration of Fe compared to the C14 structures in the alloys annealed at 1533 K. The room-temperature coercivity, which correlates with the C14 lattice contraction, is believed to be caused by the magnetocrystalline anisotropy of the non-equilibrium Laves phase with the latter being magnetically coupled with the Fe phase via an intergranular exchange interaction. On the other hand, a coercivity of around 0.3 kOe persists in the melt-spun alloys above the Curie temperature of the C14 phase. This high-temperature coercivity may originate from the shape or strain anisotropy of the Fe phase particles. The energy density of the reported two-phase alloys is not sufficiently high to consider them potential hard magnetic materials. However, the pure non-equilibrium Fe 2+δ Nb and Fe 2+δ Ta compounds may be of interest if they can be isolated and textured.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The seed energy fluctuation of hard X-ray self-seeding free electron laser

Self-seeding free electron lasers (FELs) are capable of generating fully coherent X-ray pulses. Yet, the stability of output pulse energy of hard X-ray self-seeding (HXRSS) FEL is poor. This letter reports the seed energy stability investigation of HXRSS FEL. For the purpose of a more stable HXRSS FEL, this work suggests a relatively broad bandwidth ρ t of crystal monochromator, a relatively long electron bunch with energy jitter (r.m.s.) down to a quarter of FEL Pierce parameter ρ, and a larger Bragg angle θ B to improve the seed energy stability. Moreover, the angle jitter (r.m.s.) between the SASE pulse incident direction and the crystal surface should be less than (ρ tan θ B )/2, and the relative time jitter (r.m.s.) between the electron bunch and the seed should be less than half of the seed bump duration τ t .

47 OTHER INSTRUMENTATION↗
DOE OSTI2019

The Velociprobe: An ultrafast hard X-ray nanoprobe for high-resolution ptychographic imaging

Motivated by the advanced photon source upgrade, a new hard X-ray microscope called "Velociprobe" has been recently designed and built for fast ptychographic imaging with high spatial resolution. We are addressing the challenges of high-resolution and fast scanning with novel hardware designs, advanced motion controls, and new data acquisition strategies, including the use of high-bandwidth interferometric measurements. The use of granite, air-bearing-supported stages provides the necessary long travel ranges for coarse motion to accommodate real samples and variable energy operation while remaining highly stable during fine scanning. Scanning the low-mass zone plate enables high-speed and high-precision motion of the probe over the sample. With an advanced control algorithm implemented in a closed-loop feedback system, the setup achieves a position resolution (3σ) of 2 nm. The instrument performance is evaluated by 2D fly-scan ptychography with our developed data acquisition strategies. A spatial resolution of 8.8 nm has been demonstrated on a Au test sample with a detector continuous frame rate of 200 Hz. Using a higher flux X-ray source provided by double-multilayer monochromator, we achieve 10 nm resolution for an integrated circuit sample in an ultrafast scan with a detector's full continuous frame rate of 3000 Hz (0.33 ms per exposure), resulting in an outstanding imaging rate of 9 x 10 4 resolution elements per second

36 MATERIALS SCIENCE↗
DOE OSTI2023

Solution phase high repetition rate laser pump x-ray probe picosecond hard x-ray spectroscopy at the Stanford Synchrotron Radiation Lightsource

We present a dedicated end-station for solution phase high repetition rate (MHz) picosecond hard x-ray spectroscopy at beamline 15-2 of the Stanford Synchrotron Radiation Lightsource. A high-power ultrafast ytterbium-doped fiber laser is used to photoexcite the samples at a repetition rate of 640 kHz, while the data acquisition operates at the 1.28 MHz repetition rate of the storage ring recording data in an alternating on-off mode. The time-resolved x-ray measurements are enabled via gating the x-ray detectors with the 20 mA/70 ps camshaft bunch of SPEAR3, a mode available during the routine operations of the Stanford Synchrotron Radiation Lightsource. As a benchmark study, aiming to demonstrate the advantageous capabilities of this end-station, we have conducted picosecond Fe K-edge x-ray absorption spectroscopy on aqueous [FeII(phen)3]2+, a prototypical spin crossover complex that undergoes light-induced excited spin state trapping forming an electronic excited state with a 0.6–0.7 ns lifetime. In addition, we report transient Fe Kβ main line and valence-to-core x-ray emission spectra, showing a unique detection sensitivity and an excellent agreement with model spectra and density functional theory calculations, respectively. Notably, the achieved signal-to-noise ratio, the overall performance, and the routine availability of the developed end-station have enabled a systematic time-resolved science program using the monochromatic beam at the Stanford Synchrotron Radiation Lightsource.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Enhancement in hard magnetic properties of (Nd, Pr)–Fe–B melt-spun ribbons

The coercivity of RE 2 Fe 14 B-type permanent magnets is strongly influenced by the microstructural features such as grain boundary (GB) phases as well as grain sizes. Here, we have combined micromagnetic simulations and experiments to elucidate the role of excess RE (Nd/Pr) in determining the resulting hard magnetic properties of Nd–Pr–Fe–B melt-spun ribbons. The intrinsic coercivity (H c ) at room temperature significantly enhanced from 9.7 kOe to 15.3 kOe with the increase in the Nd/Pr content. Furthermore, the effect of non-magnetic grain refining refractory carbide (TiC) on both the microstructure and magnetic hardening was studied. The addition of TiC showed a very high coercivity H c of up to 19.0 kOe at room temperature. Micromagnetic simulation indicates that the coercivity enhancement is mainly due to the reduction of inter-grain magnetic interaction, which is due to the RE-rich nonmagnetic grain boundary (GB) phase and/or TiC distributed at the GB. This work provides useful information on the roles of non-magnetic grain boundary phases for improving the coercivity of Nd–Pr–Fe–B magnets. Combined with experimental and modeling results, we have discussed the mechanism responsible for the enhancements in coercivity and the suitability of the alloys for high-performance permanent magnet development.

36 MATERIALS SCIENCE↗