Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Diffuse Scattering”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Proton Diffusion in Liquid 1,2,3-Triazole Studied by Incoherent Quasi-Elastic Neutron Scattering

Improving the proton transport in polymer electrolytes impacts the performance of next-generation solid-state batteries. However, little is known about proton conductivity in nonaqueous systems due to the lack of an appropriate level of fundamental understanding. Here, we studied the proton transport in small molecules with dynamic hydrogen bonding, 1,2,3-triazole, as a model system of proton hopping in a nonaqueous environment using incoherent quasi-elastic neutron scattering. By using the jump-diffusion model, we identified the elementary jump-diffusion motion of protons at a much shorter length scale than those by nuclear magnetic resonance and impedance spectroscopy for the estimated long-range diffusion. In addition, a spatially restricted diffusive motion was observed, indicating that proton motion in 1,2,3-triazole is complex with various local correlated dynamics. In conclusion, these correlated dynamics will be important in elucidating the nature of the proton dynamics in nonaqueous systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2012

A Traceable Ground to On-Orbit Radiometric Calibration System for the Solar Reflective Wavelength Region

This paper describes the combination of a Mie scattering spectral BSDF and BTDF albedo standard whose calibration is traceable to the NIST SIRCUS Facility or the NIST STARR II Facility. The Space-based Calibration Transfer Spectroradiometer (SCATS) sensor uses a simple, invariant optical configuration and dedicated narrow band spectral channel modules to provide very accurate, polarization-insensitive, stable measurements of earth albedo and lunar disk albedo. Optical degradation effects on calibration stability are eliminated through use of a common optical system for observations of the Sun, Earth, and Moon. The measurements from space would be traceable to SI units through preflight calibrations of radiance and irradiance at NIST's SIRCUS facility and the invariant optical system used in the sensor. Simultaneous measurements are made in multiple spectral channels covering the solar reflective wavelength range of 300 nm to 2.4 microns. The large dynamic range of signals is handled by use of single-element, highly-linear detectors, stable discrete electronic components, and a non imaging optical configuration. Up to 19 spectral modules can be mounted on a single-axis drive to give direct pointing at the Earth and at least once per orbit view of the Sun and Moon. By observing the Sun on every orbit, the most stringent stability requirements of the system are limited to short time periods. The invariant optical system for both radiance and irradiance measurements also give excellent transfer to-orbit SI traceability. Emerging instrumental requirements for remotely sensing tropospheric trace species have led to a rethinking by some of the paradigm for Systeme International d'Unites (SI) traceability of the spectral irradiance and radiance radiometric calibrations to spectral albedo (sr(exp -1)) which is not a SI unit. In the solar reflective wavelength region the spectral albedo calibrations are tied often to either the spectral albedo of a solar diffuser or the Moon. This new type of Mie scattering diffuser (MSD) is capable of withstanding high temperatures, and is more Lambertian than Spectralon(tm). It has the potential of covering the entire solar reflective wavelength region. Laboratory measurements have shown that the specular reflectance component is negligible, and indicate that internal absorption by multiple scattering is small. This MSD, a true volume diffuser, exhibits a high degree of radiometric stability which suggests that measurements at the National Institute of Standards and Technology (NIST) could provide a spectral albedo standard. Measurements have been made of its radiometric stability under a simulated space environment of high energy gamma rays, high energy protons, and UV radiation from ambient down to the vacuum ultraviolet H Lyman alpha at 121.6 nm for its eventual use in space as a solar diffuser.

Heath, Donald F.↗
DOE OSTI2021

Fragile 3D Order in V 1 - x Mo x O 2

The metal-to-insulator transition in rutile VO2 has proven uniquely difficult to characterize because of the complex interplay between electron correlations and atomic structure. Here, we report the discovery of the sudden collapse of three-dimensional order in the low-temperature phase of V1-xMoxO2 at x = 0.17 and the emergence of a novel frustrated two-dimensional order at x = 0.19, with only a slight change in electronic properties. Single crystal diffuse x-ray scattering reveals that this transition from the 3D M1 phase to a 2D variant of the M2 phase results in long-range structural correlations along symmetry-equivalent (11L) planes of the tetragonal rutile structure, yet extremely short-range correlations transverse to these planes. These findings suggest that this two dimensionality results from a novel form of geometric frustration that is essentially structural in origin.

36 MATERIALS SCIENCE↗
DOE OSTI2015

What can be learned from optical two-color diffusion and thermodiffusion experiments on ternary fluid mixtures?

A number of optical techniques have been developed during the recent years for the investigation of diffusion and thermodiffusion in ternary fluid mixtures, both on ground and on-board the International Space Station. All these methods are based on the simultaneous measurement of refractive index changes at two different wavelengths. Here, we discuss and compare different techniques with the emphasis on optical beam deflection (OBD), optical digital interferometry, and thermal diffusion forced Rayleigh scattering (TDFRS). We suggest to formally split the data evaluation into a phenomenological parameterization of the measured transients and a subsequent transformation from the refractive index into the concentration space. In all experiments, the transients measured at two different detection wavelengths can be described by four amplitudes and two eigenvalues of the diffusion coefficient matrix. It turns out that these six parameters are subjected to large errors and cannot be determined reliably. Five good quantities, which can be determined with a high accuracy, are the stationary amplitudes, the initial slopes as defined in TDFRS experiments and by application of a heuristic criterion for similar curves, a certain mean diffusion coefficient. These amplitudes and slopes are directly linked to the Soret and thermodiffusion coefficients after transformation with the inverse contrast factor matrix, which is frequently ill-conditioned. Since only five out of six free parameters are reliably determined, including the single mean diffusion coefficient, the determination of the four entries of the diffusion matrix is not possible. We apply our results to new OBD measurements of the symmetric (mass fractions 0.33/0.33/0.33) ternary benchmark mixture n-dodecane/isobutylbenzene/1,2,3,4-tetrahydronaphthalene and existing literature data for the same system.

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

Diffusion model approach to simulating electron-proton scattering events

Generative artificial intelligence is a fast-growing area of research offering various avenues for exploration in high-energy nuclear physics. In this work, we explore the use of generative models for simulating electron-proton collisions relevant to experiments like the Continuous Electron Beam Accelerator Facility and the future Electron-Ion Collider (EIC). These experiments play a critical role in advancing our understanding of nucleons and nuclei in terms of quark and gluon degrees of freedom. The use of generative models for simulating collider events faces several challenges such as the sparsity of the data, the presence of global or eventwide constraints, and steeply falling particle distributions. In this work, we focus on the implementation of diffusion models for the simulation of electron-proton scattering events at EIC energies. Our results demonstrate that diffusion models can reproduce relevant observables such as momentum distributions and correlations of particles, momentum sum rules, and the leading electron kinematics, all of which are of particular interest in electron-proton collisions. Although the sampling process is relatively slow compared to other machine-learning architectures, we find diffusion models can generate high-quality samples. We foresee various applications of our work including inference for nuclear structure, interpretable generative machine learning, and searches of physics beyond the Standard Model. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Validation of Thermal Scattering Laws for Light Water at Elevated Temperatures with Diffusion Experiments

Light water is the most important neutron moderator in many reactor applications. Thermal neutron scattering kernels for H bound in H 2 O are represented by ENDF-format thermal scattering laws (TSLs) evaluated at discrete temperatures T . Nuclear data evaluations are conventionally validated utilizing a combination of critical benchmarks and experimental cross section data. Existing public critical benchmarks may be inadequate for testing water TSLs over the full range of T of interest in reactor applications, and experimental thermal scattering cross section data for water is sparse at elevated T . In this work, MC21 is used to simulate the decay of the equilibrium thermal neutron flux in light-water spheres of several radii. The fundamental-mode time eigenvalue $\mathcal{a}$ is calculated at 22 °C and 227 °C (at saturation pressure) for each sphere using three different H-H 2 O TSLs. Fitting $\mathcal{a}$ to a polynomial function of geometric buckling allows calculation of the thermal neutron diffusion length L . Extrapolation lengths are treated as a function of the transport mean free path and geometry. Experimental L data from 25 publications at 49 temperatures (from 10 °C to 295 °C), computed by several different time-dependent and space-dependent decay methods, is used to develop an empirical fit of L vs. T . The MC21-calculated L for the TSLs tested are within ±1% of the predicted values at 22 °C and 227 °C. This validation approach, which may be repeated at arbitrary T , constitutes an integral benchmark specific to and characterizing the detailed physics of the thermal scattering kernel applied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2000

Detection of Objects Hidden in Highly Scattering Media Using Time-Gated Imaging Methods

Non-intrusive and non-invasive optical imaging techniques has generated great interest among researchers for their potential applications to biological study, device characterization, surface defect detection, and jet fuel dynamics. Non-linear optical parametric amplification gate (NLOPG) has been used to detect back-scattered images of objects hidden in diluted Intralipid solutions. To directly detect objects hidden in highly scattering media, the diffusive component of light needs to be sorted out from early arrived ballistic and snake photons. In an optical imaging system, images are collected in transmission or back-scattered geometry. The early arrival photons in the transmission approach, always carry the direct information of the hidden object embedded in the turbid medium. In the back-scattered approach, the result is not so forth coming. In the presence of a scattering host, the first arrival photons in back-scattered approach will be directly photons from the host material. In the presentation, NLOPG was applied to acquire time resolved back-scattered images under the phase matching condition. A time-gated amplified signal was obtained through this NLOPG process. The system's gain was approximately 100 times. The time-gate was achieved through phase matching condition where only coherent photons retain their phase. As a result, the diffusive photons, which were the primary contributor to the background, were removed. With a large dynamic range and high resolution, time-gated early light imaging has the potential for improving rocket/aircraft design by determining jets shape and particle sizes. Refinements to these techniques may enable drop size measurements in the highly scattering, optically dense region of multi-element rocket injectors. These types of measurements should greatly enhance the design of stable, and higher performing rocket engines.

Galland, Pierre A.↗
DOE OSTI2019

Design optimization of a scramjet under uncertainty using probabilistic learning on manifolds

Here, we demonstrate, on a scramjet combustion problem, a constrained probabilistic learning approach that augments physics-based datasets with realizations that adhere to underlying constraints and scatter. The constraints are captured and delineated through diffusion maps, while the scatter is captured and sampled through a projected stochastic differential equation. The objective function and constraints of the optimization problem are then efficiently framed as non-parametric conditional expectations. Different spatial resolutions of a large-eddy simulation filter are used to explore the robustness of the model to the training dataset and to gain insight into the significance of spatial resolution on optimal design.

42 ENGINEERING↗
DOE OSTI2015

Temperature-dependent ordering phenomena in single crystals of germanium antimony tellurides

The temperature-dependent behavior of quenched single-crystalline (GeTe){sub n}Sb{sub 2}Te{sub 3} (n~2.8, n~5 and n~11) was investigated by semiquantitative modeling of diffuse X-ray scattering. The structure at room temperature exhibits trigonal twin domains, each comprising a stacking-disordered sequence of distorted rocksalt-type slabs with variable thicknesses. Ge and Sb share the cation position and vacancies are partially ordered in defect layers (van der Waals gaps) between the slabs. The average structure determined with resonant diffraction data corresponds to a rocksalt-type structure whose cation position is split along the stacking direction. Upon heating, cation ordering leads to a metastable superstructure of the rocksalt type at ~400 °C, which transforms to a rocksalt-type high-temperature phase with randomly distributed cations and vacancies at ~500 °C; this structure was also refined using resonant diffraction. Cooling at high or intermediate rates does not yield the long-range ordered phase, but directly leads to the twinned disordered phase. - Graphical abstract: Development of the diffraction patterns of (GeTe){sub ~11}Sb{sub 2}Te{sub 3} upon heating; the insets symbolically sketch the real structure at the corresponding temperatures. - Highlights: • The structure of disordered (GeTe){sub n}Sb{sub 2}Te{sub 3} is described as a function of temperature. • Structural changes are tracked by modeling diffuse X-ray scattering. • Quenched crystals exhibit distorted NaCl-type slabs with different thicknesses. • Vacancy ordering upon heating leads to a metastable superstructure of the NaCl type. • Further heating leads to an undistorted disordered NaCl-type high-temperature phase.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Evolution of charge density wave soft phonon modes in Pd 𝑥 ⁢ErTe 3

Here, we investigated the lattice dynamics of quasi-two-dimensional Pd-intercalated ErTe 3 in relation to its charge-density-wave (CDW) transitions by means of x-ray diffuse and meV-resolution inelastic x-ray scattering. In pristine ErTe 3 , CDW order develops at orthogonal in-plane wave vectors q$^𝑐_1$ =(0,0,0.29) (the 𝑐−CDW ) and q$^𝑎_2 $= (0.31,0,0) (the 𝑎−CDW ), with transition temperatures $𝑇^𝑐_1$ = 270K and $𝑇^𝑎_2$ = 160K, respectively. Remarkably, we observe diffuse x-ray scattering already near the higher transition temperature $𝑇^𝑐_1$ along 𝑎−CDW but at a slightly different wave vector q$^𝑎_1$ = (0.29,0,0). Inelastic x-ray scattering for Pd 0.01 ⁢ErTe 3 shows that a partial phonon softening at q$^𝑎_1$, underscoring the strong competition between ordering tendencies along the nearly equivalent in-plane axes of the orthorhombic lattice. For intercalation levels 𝑥 ≥ 0.02, the 𝑎−CDW state is suppressed. Nevertheless, a similar correlation between phonon softening and diffuse scattering persists along the [100] direction, again observed at q$^𝑎_1$ = (0.29,0,0) and $𝑇^𝑐_1$. These findings suggest that the 𝑎−CDW is fully suppressed for 𝑥 ≥ 0.02, and that the residual diffuse scattering at originates from the partial phonon softening associated with the 𝑐−CDW, reflected by the near equality of the absolute size of q$^𝑐_1$ and q$^𝑎_1$.

Maity, Avishek [Technische Univ. München, Garching↗
DOE OSTI2013

Free molecular collision cross section calculation methods for nanoparticles and complex ions with energy accommodation

The structures of nanoparticles, macromolecules, and molecular clusters in gas phase environments are often studied via measurement of collision cross sections. To directly compare structure models to measurements, it is hence necessary to have computational techniques available to calculate the collision cross sections of structural models under conditions matching measurements. However, presently available collision cross section methods contain the underlying assumption that collision between gas molecules and structures are completely elastic (gas molecule translational energy conserving) and specular, while experimental evidence suggests that in the most commonly used background gases for measurements, air and molecular nitrogen, gas molecule reemission is largely inelastic (with exchange of energy between vibrational, rotational, and translational modes) and should be treated as diffuse in computations with fixed structural models. In this work, we describe computational techniques to predict the free molecular collision cross sections for fixed structural models of gas phase entities where inelastic and non-specular gas molecule reemission rules can be invoked, and the long range ion-induced dipole (polarization) potential between gas molecules and a charged entity can be considered. Specifically, two calculation procedures are described detail: a diffuse hard sphere scattering (DHSS) method, in which structures are modeled as hard spheres and collision cross sections are calculated for rectilinear trajectories of gas molecules, and a diffuse trajectory method (DTM), in which the assumption of rectilinear trajectories is relaxed and the ion-induced dipole potential is considered. Collision cross section calculations using the DHSS and DTM methods are performed on spheres, models of quasifractal aggregates of varying fractal dimension, and fullerene like structures. Techniques to accelerate DTM calculations by assessing the contribution of grazing gas molecule collisions (gas molecules with altered trajectories by the potential interaction) without tracking grazing trajectories are further discussed. The presented calculation techniques should enable more accurate collision cross section predictions under experimentally relevant conditions than pre-existing approaches, and should enhance the ability of collision cross section measurement schemes to discern the structures of gas phase entities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

Analytical description of nonlinear particle transport in slab turbulence: High particle energies and stochastic acceleration

Pitch-angle scattering, parallel spatial diffusion, and stochastic acceleration of cosmic rays are investigated analytically. Based on a second-order quasilinear theory, we derive analytical expressions for the aforementioned transport parameters for all possible magnetic field strengths and particle energies. This work complements previous work where only parallel diffusion for low energetic particles was considered. Furthermore, we compute the first time the momentum diffusion coefficient. It is also shown that the relation between the momentum diffusion coefficient and the parallel spatial diffusion coefficient is more complicated than assumed in previous work.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

The loss rates of O{sup +} in the inner magnetosphere caused by both magnetic field line curvature scattering and charge exchange reactions

With consideration of magnetic field line curvature (FLC) pitch angle scattering and charge exchange reactions, the O{sup +} (>300 keV) in the inner magnetosphere loss rates are investigated by using an eigenfunction analysis. The FLC scattering provides a mechanism for the ring current O{sup +} to enter the loss cone and influence the loss rates caused by charge exchange reactions. Assuming that the pitch angle change is small for each scattering event, the diffusion equation including a charge exchange term is constructed and solved; the eigenvalues of the equation are identified. The resultant loss rates of O{sup +} are approximately equal to the linear superposition of the loss rate without considering the charge exchange reactions and the loss rate associated with charge exchange reactions alone. The loss time is consistent with the observations from the early recovery phases of magnetic storms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2018

Critical Phase-Transition Current in Niobium Nitride Thin Films

Abstract—The effect of current and magnetic field on the transition to the superconducting state in niobium nitride thin films has been studied. The critical current dependences of the films on the temperature and magnetic field in the transition region have been determined. Within the framework of models of a normal domain and quasiparticle heating during viscous flow of a magnetic flux, the functional dependences of the critical current have been determined in close vicinity of the superconducting transition temperature. Using the theory of electron heating, we have determined the time of the electron energy relaxation. We also estimated the electron-phonon and the electron-electron inelastic scattering times, the diffusion coefficient of electrons, and heat transfer coefficient.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Multicomponent diffusion in molten salt NaF-ZrF{sub 4}: Dynamical correlations and Maxwell–Stefan diffusivities

NaF-ZrF{sub 4} is used as a waste incinerator and as a coolant in Generation IV reactors.Structural and dynamical properties of molten NaF-ZrF{sub 4} system were studied along with Onsagercoefficients and Maxwell–Stefan (MS) Diffusivities applying Green–Kubo formalism and molecular dynamics (MD) simulations. The zirconium ions are found to be 8 fold coordinated with fluoride ions for all temperatures and concentrations. All the diffusive flux correlations show back-scattering. Even though the MS diffusivities are expected to depend very lightly on the composition because of decoupling of thermodynamic factor, the diffusivity Đ{sub Na-F} shows interesting behavior with the increase in concentration of ZrF{sub 4}. This is because of network formation in NaF-ZrF{sub 4}. Positive entropy constraints have been plotted to authenticate negative diffusivities observed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

INFRARED SPECTROSCOPIC SURVEY OF THE QUIESCENT MEDIUM OF NEARBY CLOUDS. I. ICE FORMATION AND GRAIN GROWTH IN LUPUS

Infrared photometry and spectroscopy (1-25 μm) of background stars reddened by the Lupus molecular cloud complex are used to determine the properties of grains and the composition of ices before they are incorporated into circumstellar envelopes and disks. H{sub 2}O ices form at extinctions of A{sub K} = 0.25 ± 0.07 mag (A{sub V} = 2.1 ± 0.6). Such a low ice formation threshold is consistent with the absence of nearby hot stars. Overall, the Lupus clouds are in an early chemical phase. The abundance of H{sub 2}O ice (2.3 ± 0.1 × 10{sup –5} relative to N{sub H}) is typical for quiescent regions, but lower by a factor of three to four compared to dense envelopes of young stellar objects. The low solid CH{sub 3}OH abundance (<3%-8% relative to H{sub 2}O) indicates a low gas phase H/CO ratio, which is consistent with the observed incomplete CO freeze out. Furthermore it is found that the grains in Lupus experienced growth by coagulation. The mid-infrared (>5 μm) continuum extinction relative to A{sub K} increases as a function of A{sub K}. Most Lupus lines of sight are well fitted with empirically derived extinction curves corresponding to R{sub V} ∼ 3.5 (A{sub K} = 0.71) and R{sub V} ∼ 5.0 (A{sub K} = 1.47). For lines of sight with A{sub K} > 1.0 mag, the τ{sub 9.7}/A{sub K} ratio is a factor of two lower compared to the diffuse medium. Below 1.0 mag, values scatter between the dense and diffuse medium ratios. The absence of a gradual transition between diffuse and dense medium-type dust indicates that local conditions matter in the process that sets the τ{sub 9.7}/A{sub K} ratio. This process is likely related to grain growth by coagulation, as traced by the A{sub 7.4}/A{sub K} continuum extinction ratio, but not to ice mantle formation. Conversely, grains acquire ice mantles before the process of coagulation starts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Structure–Activity Relationships for Ethanol Dehydrogenation to Acetaldehyde by Silica-Supported Zinc Oxide Catalysts

Silica-supported ZnO efficiently catalyzes the nonoxidative dehydrogenation of ethanol to acetaldehyde, which is relevant for production of 1,3-butadiene from bioethanol. Characterization with in situ spectroscopies under dehydrated conditions (high sensitivity-low energy ion scattering (HS-LEIS), diffuse reflectance (DR) UV–vis, X-ray absorption spectroscopy (XAS), diffuse reflectance Fourier transform infrared spectroscopy (DRIFTS), inelastic neutron scattering (INS), and UV Raman), and ammonia adsorption probed by temperature-programmed desorption followed by DRIFTS and mass spectrometry (DRIFTS-MS NH 3 -TPD), and DFT calculations revealed that the supported ZnO x phase was present as isolated surface ZnO x sites on SiO 2 , with the vast majority coordinated by two siloxane bonds and one silicon atom with two nonbridging oxygens ((≡SiO) 2 Zn 2+ O 2 Si=), anchored at 4-, 5-, and 6-membered siloxane rings. A minor fraction of surface ZnO x sites possessed Lewis acidity, and even fewer sites possessed a Bro̷nsted acidic Zn(OH) + Si moiety. Ethanol temperature-programmed surface reaction-mass spectrometry (TPSR-MS) with various oxidative or ethanol reaction pretreatments indicated that only sites with Lewis and Bro̷nsted acidic character (Zn(OH) + Si) were active for ethanol dehydrogenation, while the majority surface (≡SiO) 2 Zn 2+ O 2 Si= sites were inactive. Greater heterogeneity among all surface ZnO x sites, as assessed by in situ DR UV–vis spectroscopy, was associated with a greater number of ZnO x sites that were active for ethanol dehydrogenation as well as lower enthalpic barriers for acetaldehyde production among the most active surface ZnO x sites. Turnover frequencies and the apparent activation energy for ethanol dehydrogenation were determined from steady-state kinetics. Together, these findings suggested that anchoring inactive surface (≡SiO) 2 Zn 2+ O 2 Si= sites on the silica support caused a greater number of active surface ZnO x sites to adopt a more strained configuration, promoting ethanol dehydrogenation catalysis. Pretreatments and catalysts that promoted desorption of ethanol during TPSR, taken as a marker of surface dehydroxylation, were associated with an increased number of the most active surface (Zn(OH) + Si) sites. Such findings suggested that inactive surface ZnO x sites were activated for ethanol dehydrogenation by dehydroxylation of the support and/or decreased coordination to hemilabile siloxane ligands.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗