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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Mending cracks atom-by-atom in rutile TiO2 with electron beam radiolysis

Abstract Rich electron-matter interactions fundamentally enable electron probe studies of materials such as scanning transmission electron microscopy (STEM). Inelastic interactions often result in structural modifications of the material, ultimately limiting the quality of electron probe measurements. However, atomistic mechanisms of inelastic-scattering-driven transformations are difficult to characterize. Here, we report direct visualization of radiolysis-driven restructuring of rutile TiO 2 under electron beam irradiation. Using annular dark field imaging and electron energy-loss spectroscopy signals, STEM probes revealed the progressive filling of atomically sharp nanometer-wide cracks with striking atomic resolution detail. STEM probes of varying beam energy and precisely controlled electron dose were found to constructively restructure rutile TiO 2 according to a quantified radiolytic mechanism. Based on direct experimental observation, a “two-step rolling” model of mobile octahedral building blocks enabling radiolysis-driven atomic migration is introduced. Such controlled electron beam-induced radiolytic restructuring can be used to engineer novel nanostructures atom-by-atom.

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

Real-space local self-motion of protonated and deuterated water

Here, we report on the self-part of the Van Hove correlation function, the correlation function describing the dynamics of a single molecule, of water and deuterated water. The correlation function is determined by transforming inelastic scattering spectra of neutrons or x rays over a wide range of momentum transfer Q and energy transfer E to space R and time t. The short-range diffusivity is estimated from the Van Hove correlation function in the framework of the Gaussian approximation. The diffusivity has been found to be different from the long-range macroscopic diffusivity, providing information about local atomic dynamics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

VeryFastCCD: a high frame rate soft X-ray detector

Direct X-ray detection in silicon has been transformative for scattering experiments in biology and materials science. While bump-bonded hybrid pixels have been attractive for hard X-ray detection, the challenge for single photon soft X-ray detection is sufficiently low noise. CCD structures on thick, high-resistivity silicon have been successfully used as sensors over the range of soft to hard X-rays at storage rings and FELs. The VeryFastCCD is a high frame rate, column-parallel CCD sensor with 48 μm pixels. Combined with 256-channel custom readout ASICs, frame rates of 5–10 kHz have been achieved with readout noise as low as 20 e and full-well capacity >4 × 10 5 e/pixel. Thin (10 nm and 100 nm) entrance window contact processes have also been developed which provide >85% quantum efficiency for 285 eV X-rays. Systems are currently being developed for several beamlines at the upgraded Advanced Light Source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1991

A new system model for radar polarimeters

The validity of the 2 x 2 receive R and transmit T model for radar polarimeter systems, first proposed by Zebker et al. (1987), is questioned. The model is found to be invalid for many practical realizations of radar polarimeters, which can lead to significant errors in the calibration of polarimetric radar images. A more general model is put forward, which addresses the system defects which cause the 2 x 2 model to break down. By measuring one simple parameter from a polarimetric active radar calibration (PARC), it is possible to transform the scattering matrix measurements made by a radar polarimeter to a format compatible with a 2 x 2 R and T matrix model. Alternatively, the PARC can be used to verify the validity of the 2 x 2 model for any polarimetric radar system. Recommendations for the use of PARCs in polarimetric calibration and to measure the orientation angle of the horizontal (H) and vertical (V) coordinate system are also presented.

Freeman, Anthony↗
NASA NTRS1989

Analytical optical scattering in clouds

An analytical optical model for scattering of light due to lightning by clouds of different geometry is being developed. The self-consistent approach and the equivalent medium concept of Twersky was used to treat the case corresponding to outside illumination. Thus, the resulting multiple scattering problem is transformed with the knowledge of the bulk parameters, into scattering by a single obstacle in isolation. Based on the size parameter of a typical water droplet as compared to the incident wave length, the problem for the single scatterer equivalent to the distribution of cloud particles can be solved either by Mie or Rayleigh scattering theory. The super computing code of Wiscombe can be used immediately to produce results that can be compared to the Monte Carlo computer simulation for outside incidence. A fairly reasonable inverse approach using the solution of the outside illumination case was proposed to model analytically the situation for point sources located inside the thick optical cloud. Its mathematical details are still being investigated. When finished, it will provide scientists an enhanced capability to study more realistic clouds. For testing purposes, the direct approach to the inside illumination of clouds by lightning is under consideration. Presently, an analytical solution for the cubic cloud will soon be obtained. For cylindrical or spherical clouds, preliminary results are needed for scattering by bounded obstacles above or below a penetrable surface interface.

Phanord, Dieudonne D.↗
NASA NTRS1976

Low-energy electron scattering from CO. 2: Ab-initio study using the frame-transformation theory

The Wigner-Eisenbud R matrix method has been combined with the frame transformation theory to study electron scattering from molecular systems. The R matrix, calculated at the boundary point of the molecular core radius, has been transformed to the space frame in order to continue the solution of the scattering equations in the outer region where rotational motion of the nuclei is taken into account. This procedure has been applied to a model calculation of thermal energy electron scattering from CO.

Chandra, N.↗
DOE OSTI2020

Soft crystal martensites: An in situ resonant soft x-ray scattering study of a liquid crystal martensitic transformation

Liquid crystal blue phases (BPs) are three-dimensional soft crystals with unit cell sizes orders of magnitude larger than those of classic, atomic crystals. The directed self-assembly of BPs on chemically patterned surfaces uniquely enables detailed in situ resonant soft x-ray scattering measurements of martensitic phase transformations in these systems. The formation of twin lamellae is explicitly identified during the BPII-to-BPI transformation, further corroborating the martensitic nature of this transformation and broadening the analogy between soft and atomic crystal diffusionless phase transformations to include their strain-release mechanisms.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Poly-Gaussian model of randomly rough surface in rarefied gas flow

Surface roughness is simulated by the model of non-Gaussian random process. Our results for the scattering of rarefied gas atoms from a rough surface using modified approach to the DSMC calculation of rarefied gas flow near a rough surface are developed and generalized applying the poly-Gaussian model representing probability density as the mixture of Gaussian densities. The transformation of the scattering function due to the roughness is characterized by the roughness operator. Simulating rough surface of the walls by the poly-Gaussian random field expressed as integrated Wiener process, we derive a representation of the roughness operator that can be applied in numerical DSMC methods as well as in analytical investigations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1985

Interrelations for the elements of the scattering matrix

Light scattered by molecules and particulate matter in planetary atmospheres was analyzed. The 4x4 scattering matrix that transforms the Stokes parameters of the incident beam into those of the scattered beam is discussed. Elementary methods are described to obtain interrelations for the 16 elements of the scattering matrix, when light is scattered by a particle of arbitrary size, shape and composition or by a collection of such particles. The implications of the results for the interpretation of polarimetric data of planets with an atmosphere are outlined.

Hovenier, J. W.↗
DOE OSTI2018

On the Effect of Small-Angle Scattering by Density Fluctuations on the Efficiency of Linear Transformation of Ordinary and Extraordinary Waves in a Toroidally Inhomogeneous Plasma

We have analyzed the efficiency of tunneling of quasi-optical wave beams through the evanescent region in the vicinity of plasma cutoff in a randomly inhomogeneous magnetoactive plasma. A new theoretical model proposed here makes it possible to study the effect of a random phase modulation induced by density fluctuations in the wave beam path on the efficiency of the linear transformation of waves in the 2D geometry corresponding to the experimental conditions for heating the overdense plasma in toroidal magnetic systems. We have derived a general analytic expression connecting the wave beam coefficient of transformation averaged over the ensemble of random wave field realizations with its phase correlation function. We have analyzed the dependence of the coefficient of transformation on the correlation length for the random phase distribution in the beam and on the traversed path length to the interaction region. The threshold value of the path length above which the fluctuations produce a dominating effect has been determined. The importance of taking into account the 2D effects has been demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Simulation of Electron-Proton Scattering Events by a Feature-Augmented and Transformed Generative Adversarial Network (FAT-GAN)

We apply generative adversarial network (GAN) technology to build an event generator that simulates particle production in electron-proton scattering that is free of theoretical assumptions about underlying particle dynamics. The difficulty of efficiently training a GAN event simulator lies in learning the complicated patterns of the distributions of the particles physical properties. We develop a GAN that selects a set of transformed features from particle momenta that can be generated easily by the generator, and uses these to produce a set of augmented features that improve the sensitivity of the discriminator. The new Feature-Augmented and Transformed GAN (FAT-GAN) is able to faithfully reproduce the distribution of final state electron momenta in inclusive electron scattering, without the need for input derived from domain-based theoretical assumptions. The developed technology can play a significant role in boosting the science of existing and future accelerator facilities, such as the Electron-Ion Collider.

Alanazi, Yasir↗
DOE OSTI2016

Raman scattering and red fluorescence in the photochemical transformation of dry tryptophan particles

Tryptophan is a fluorescent amino acid common in proteins. Its absorption is largest for wavelengths λ ≲ 290 nm and its fluorescence emissions peak around 300–350 nm, depending upon the local environment. Here we report the observation of red fluorescence near 600 nm emerging from 488-nm continuous-wave (CW) laser photoexcitation of dry tryptophan (Trp) particles. With an excitation intensity below 0.5 kW/cm 2 , dry Trp particles yield distinctive Raman scattering peaks in the presence of relatively weak and spectrally broad emissions with λ ~500–700 nm, allowing estimation of particle temperature at low excitation intensities. When the photoexcitation intensity is increased to 1 kW/cm 2 or more for a few minutes, fluorescence intensity dramatically increases by more than two orders of magnitude. The fluorescence continues to increase in intensity and gradually shift to the red when photoexcitation intensity and the duration of exposure are increased. The resulting products absorb at visible wavelengths and generate red fluorescence with λ ~ 650–800 nm with 633-nm CW laser excitation. In conclusion, we attribute the emergence of orange and red fluorescence in the Trp products to a photochemical transformation that is instigated by weak optical transitions to triplet states in Trp with 488-nm excitation and which may be expedited by a photothermal effect.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Martensitic Transformation of Close-Packed Polytypes of Block Copolymer Micelles

Here, we report martensitic shear transformation of strongly segregated block copolymer micelles on face-centered cubic (FCC) lattices to hexagonally close-packed (HCP) structures elucidated by X-ray scattering characterizations. The initial FCC crystal structures of the block copolymer micelles were prepared by direct dissolution of poly(1,2-butadiene-b-ethylene oxide) (PB-PEO) diblock copolymer in the water at 25 °C, and the FCC crystal domains were shear-aligned during the sample preparation process for the X-ray scattering measurements. Heating the shear-aligned FCC crystals of the PB-PEO micelles above 80 °C initiated the transformation to HCP structures, which are also found stable at 25 °C when cooled from the transition temperature. Interestingly, we found that the HCP crystal domains are also aligned, and this suggests that the FCC-to-HCP phase transition has occurred by the martensitic shear transformation. Scattering pattern analysis reveals that the martensitic shear transformation proceeds by preferentially dislocating a specific set of two-dimensional hexagonal close-packed (2D-HCP) layers among four equivalent 2D-HCP layers of the initially shear-aligned FCC crystals. We believe that the selective martensitic shear transformation originates from the orthorhombic-like morphology of the FCC crystal domains formed by slip dislocations and stratifications of initial FCC crystal grains during the sample preparation process. In the shear-aligned FCC crystals with the orthorhombic-like crystal domains, the specific 2D-HCP layers chosen for the martensitic shear transformation have the least area of dislocations, i.e., the least kinetic energy barrier, for the FCC-to-HCP phase transition and appear to be preferentially utilized. These results show that the size and morphology of crystal domains are critical to the formation, stability, and transformation of crystalline structures and consequently control the polymorphism of solid compounds.

36 MATERIALS SCIENCE↗
NASA NTRS1977

Transformation theory and translation factors in inelastic atomic collisions

It is shown through the use of transformation theory that unique semiclassical atomic scattering states which obey the asymptotic conditions of formal scattering theory can be derived by transforming 'nontraveling' atomic states, ie., states whose coordinate variables are referred to a stationary origin, to frames at rest with respect to the incoming or outgoing particles. An overview of the problem of properly defining such scattering states is presented. The operator which carries out the necessary transformation from inertial to noninertial frames is derived and its properties are discussed. The relation of this transformation operator to the 'translation factor' discussed in the literature is presented. The application of this operator to transform the time-dependent Schroedinger equation from an inertial to a noninertial frame is presented and shown to introduce new terms in the resulting equation. The implications of these new terms to scattering problems are discussed.

Schmid, G. B.↗
DOE OSTI2017

Heterodyne x-ray diffuse scattering from coherent phonons

Here, we report Fourier-transform inelastic x-ray scattering measurements of photoexcited GaAs with embedded ErAs nanoparticles. We observe temporal oscillations in the x-ray scattering intensity, which we attribute to inelastic scattering from coherent acoustic phonons. Unlike in thermal equilibrium, where inelastic x-ray scattering is proportional to the phonon occupation, we show that the scattering is proportional to the phonon amplitude for coherent states. The wavevectors of the observed phonons extend beyond the excitation wavevector. The nanoparticles break the discrete translational symmetry of the lattice, enabling the generation of large wavevector coherent phonons. Elastic scattering of x-ray photons from the nanoparticles provides a reference for heterodyne mixing, yielding signals proportional to the phonon amplitude.

36 MATERIALS SCIENCE↗