Search NASA⌕ Search

SEARCH · Search NASA

Results for “scattering transform”

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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
NASA NTRS1988

The effects of excitation waveforms and shaker moving mass on the measured modal characteristics of a 2- by 5-foot aluminum plate

Ground vibration tests were conducted to compare and to investigate the effects of five excitation waveforms and the shaker moving mass (equipment and armature used to attach the shaker to the structure) on the experimental modal characteristics of a 2- by 5-ft aluminum plate using fast Fourier transform techniques. The five types of excitation waveforms studied were sine dwell, random, impact, sine sweep, and impulsive sine. The results showed that the experimental modal frequencies for all types of excitation were within 3 percent, while the modal damping data exhibited greater scatter. The sets of mode shapes obtained by the five types of excitation were consistent. The results of the shaker moving mass investigation on the 2- by 5-ft aluminum plate showed that modal frequency decreases and modal damping remains relatively constant with an increase in shaker moving mass. The generalized mass of the structure appears to decrease with an increase in shaker moving mass. In addition, it was seen that having a shaker near a node line can reduce some of the effects of the added shaker moving mass on the frequencies and the damping.

Voracek, David F.↗
DOE OSTI2014

Effect of pressure on heterocyclic compounds: Pyrimidine and s-triazine

We have examined the high-pressure behaviors of six-membered heterocyclic compounds of pyrimidine and s-triazine up to 26 and 26.5 GPa, respectively. Pyrimidine crystallizes in Pna2{sub 1} symmetry (phase I) with the freezing pressure of 0.3 GPa, and transforms to another phase (phase II) at 1.1 GPa. Raman spectra of several compression-decompression cycles demonstrate there is a critical pressure of 15.5 GPa for pyrimidine. Pyrimidine returns back to its original liquid state as long as the highest pressure is below 15.1 GPa. Rupture of the aromatic ring is observed once pressure exceeds 15.5 GPa during a compression-decompression cycle, evidenced by the amorphous characteristics of the recovered sample. As for s-triazine, the phase transition from R-3c to C2/c is well reproduced at 0.6 GPa, in comparison with previous Raman data. Detailed Raman scattering experiments corroborate the critical pressure for s-triazine may locate at 14.5 GPa. That is, the compression is reversible below 14.3 GPa, whereas chemical reaction with ring opening is detected when the final pressure is above 14.5 GPa. During compression, the complete amorphization pressure for pyrimidine and s-triazine is identified as 22.4 and 15.2 GPa, respectively, based on disappearance of Raman lattice modes. Synchrotron X-ray diffraction patterns and Fourier transform infrared spectra of recovered samples indicate the products in two cases comprise of extended nitrogen-rich amorphous hydrogenated carbon (a-C:H:N)

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Anti-Stokes resonant x-ray Raman scattering for atom specific and excited state selective dynamics

Here, ultrafast electronic and structural dynamics of matter govern rate and selectivity of chemical reactions, as well as phase transitions and efficient switching in functional materials. Since x-rays determine electronic and structural properties with elemental, chemical, orbital and magnetic selectivity, short pulse x-ray sources have become central enablers of ultrafast science. Despite of these strengths, ultrafast x-rays have been poor at picking up excited state moieties from the unexcited ones. With time-resolved anti-Stokes resonant x-ray Raman scattering (AS-RXRS) performed at the LCLS, and ab initio theory we establish background free excited state selectivity in addition to the elemental, chemical, orbital and magnetic selectivity of x-rays. This unparalleled selectivity extracts low concentration excited state species along the pathway of photo induced ligand exchange of Fe(CO)5 in ethanol. Conceptually a full theoretical treatment of all accessible insights to excited state dynamics with AS-RXRS with transform-limited x-ray pulses is given—which will be covered experimentally by upcoming transform-limited x-ray sources.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Studies of transverse momentum dependent parton distributions and Bessel weighting

In this paper we present a new technique for analysis of transverse momentum dependent parton distribution functions, based on the Bessel weighting formalism. The procedure is applied to studies of the double longitudinal spin asymmetry in semi-inclusive deep inelastic scattering using a new dedicated Monte Carlo generator which includes quark intrinsic transverse momentum within the generalized parton model. Using a fully differential cross section for the process, the effect of four momentum conservation is analyzed using various input models for transverse momentum distributions and fragmentation functions. We observe a few percent systematic offset of the Bessel-weighted asymmetry obtained from Monte Carlo extraction compared to input model calculations, which is due to the limitations imposed by the energy and momentum conservation at the given energy/Q 2 . We find that the Bessel weighting technique provides a powerful and reliable tool to study the Fourier transform of TMDs with controlled systematics due to experimental acceptances and resolutions with different TMD model inputs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Effect of crystal structure and cationic order on phonon modes across ferroelectric phase transformation in Pb(Fe{sub 0.5-x}Sc{sub x}Nb{sub 0.5})O{sub 3} bulk ceramics

Pb(Fe{sub 0.5-x}Sc{sub x}Nb{sub 0.5})O{sub 3} [(PFSN) (0 ≤ x ≤ 0.5)] multiferroic relaxors were synthesized and the temperature dependence of phonon modes across ferroelectric to paraelectric transition was studied. With varying Sc content from x = 0 to 0.25 the structure remains monoclinic and with further addition (x = 0.3 - 0.5) the structure transforms into rhombohedral symmetry. Structural refinement studies showed that the change in crystal structure from monoclinic to rhombohedral symmetry involves a volume increment of 34-36%. Associated changes in the tolerance factor (1.024 ≤ t ≤ 0.976) and bond angles were observed. Structure assisted B′-B″ cation ordering was confirmed through the superlattice reflections in selected area electron diffraction (SAED) pattern of Pb(Sc{sub 0.5}Nb{sub 0.5})O{sub 3} (x = 0.5). Cation ordering is also evident from the evolution of Pb-O phonon mode in Raman spectra of compositions with rhombohedral symmetry (x ≥ 0.3). The high temperature Raman scattering studies show that the B-localized mode [F{sub 1u}, ∼250 cm{sup −1}] and BO{sub 6} octahedral rotational mode [F{sub 1g}, ∼200 cm{sup −1}], both originating from polar nano regions (PNRs) behave like coupled phonon modes in rhombohedral symmetry. However, in monoclinic symmetry they behave independently across the transition. Softening of B localized mode across the transition followed by the hardening for all compositions confirms the diffusive nature of the ferroelectric transformation. The presence of correlation between the B localized and BO{sub 6} rotational modes introduces a weak relaxor feature for systems with rhombohedral symmetry in PFSN ceramics, which was confirmed from the macroscopic dielectric studies.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Femtosecond covariance spectroscopy

The success of nonlinear optics relies largely on pulse-to-pulse consistency. In contrast, covariance-based techniques used in photoionization electron spectroscopy and mass spectrometry have shown that a wealth of information can be extracted from noise that is lost when averaging multiple measurements. Here, we apply covariance-based detection to nonlinear optical spectroscopy, and show that noise in a femtosecond laser is not necessarily a liability to be mitigated, but can act as a unique and powerful asset. As a proof of principle we apply this approach to the process of stimulated Raman scattering in α-quartz. Our results demonstrate how nonlinear processes in the sample can encode correlations between the spectral components of ultrashort pulses with uncorrelated stochastic fluctuations. This in turn provides richer information compared with the standard nonlinear optics techniques that are based on averages over many repetitions with well-behaved laser pulses. These proof-of-principle results suggest that covariance-based nonlinear spectroscopy will improve the applicability of fs nonlinear spectroscopy in wavelength ranges where stable, transform-limited pulses are not available, such as X-ray free-electron lasers which naturally have spectrally noisy pulses ideally suited for this approach.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Ballistic thermal conductance by phonons through superlattice quantum-waveguides

Ballistic thermal conductances (BTCs) by phonons through superlattice quantum-waveguides are investigated by using the scattering-matrix method and the elastic continuum theory. A comparison for the cylindrical model (CM) and the rectangular model (RM) is addressed. We find that for these two models, the quantum thermal conductance can be observed even when the superlattices exist in quantum-waveguides. At low temperature, BTCs for the CM and the RM present almost the same behaviors regardless of the periodic length of superlattices. However, at higher temperature, BTCs for the RM are larger than those for the CM stemming from lower cutoff frequencies of high order modes for the RM. We also find that BTCs undergo a noticeable transformation from the monotonic decrease to constant with increasing the periodic number of superlattices. A brief analysis of these results is given.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

16 O Electroweak Response Functions from First Principles

We present calculations of various electroweak response functions for the 16 O nucleus obtained using coupled-cluster theory in conjunction with the Lorentz integral transform method. We employ nuclear forces derived at next-to-leading order and next-to-next-to-leading order in chiral effective field theory and perform a Bayesian analysis to assess uncertainties. Our results are in good agreement with available electron-scattering data at |𝐪|≈326 MeV/c. Additionally, we provide several predictions for the weak response functions in the quasielastic peak region at |𝐪| =300 and 400 MeV/c, which are critical for long-baseline neutrino experiments.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Three-dimensional imaging using coherent x rays at grazing incidence geometry

We have developed a three-dimensional coherent diffraction imaging algorithm to retrieve phases of diffraction patterns of samples in grazing incidence small angle x-ray scattering experiments. The algorithm interprets the diffraction patterns using the distorted-wave Born approximation instead of the Born approximation, as in this case, the existence of a reflected beam from the substrate causes the diffraction pattern to deviate significantly from the simple Fourier transform of the object. Detailed computer simulations show that the algorithm works. Verification with real experiments is planned.

Yang, Yi↗
DOE OSTI2018

Understanding the Evolution of Biomass Burning Particles in the Atmosphere: Analysis of BBOP Data, Laboratory Experiments, and Model Integration

Submicron particles in the atmosphere can have a profound influence on Earth’s climate [Stocker et al., 2013]. Particulate matter (PM) affects climate via both direct effects (scattering or absorption of radiation) and indirect effects (changes to the formation and properties of clouds). Biomass burning (BB) is the largest global source of submicron, carbonaceous particles [Wiedinmyer et al., 2011]. Field campaigns have shown that BB aerosol (BBA) can evolve through rapid transformations and removal processes in the atmosphere, with changing radiative and hygroscopic properties, but these processes are not well characterized. Better understanding of the evolution of biomass burning PM in the atmosphere is critical for improving the accuracy of regional to global climate models. In order to address uncertainties in the initial physical, chemical and radiative forcing of BBA and the evolution of these parameters, DOE ASR conducted an airborne field campaign, the Biomass Burning Observation Project (BBOP), during the summer and fall of 2013 to make measurements in the plumes of northwest U.S. wildfires and southeast U.S. agricultural burns. BBOP provided unique, extremely detailed trace gas and particle measurements in fresh biomass burning plumes and captured large, rapid downwind transformations within a few hours of the sources. These fast changes in properties have also been observed in laboratory-generated BB smoke in a smog chamber, but in general the controlling factors and most likely outcomes in the real atmosphere are still not clear. The goals of this project were to 1) analyze and interpret the BBOP measurements in detail, 2) conduct laboratory experiments to explore the formation of tar balls, and 3) to incorporate our findings into improved models of biomass burning emissions and aging. This research focuses on understanding the chemical, physical and optical properties and transformations of BB emissions in the near-field within hours downwind of the burn and on a more regional scale and, in turn, how BB emissions relate to climate forcing. Analysis of the BBOP data paid particular attention to relating SOA production, changes in size distribution, and mixing state to the environmental conditions (gas-phase precursors, relative humidity, radiation, oxidants, NO x , etc.). This project included subcontracts and unfunded collaborations with many of the key participants in the BBOP campaign. Professor Robert Yokelson at the University of Montana is an expert on biomass burning fuels and emissions and participated in BBOP as an unfunded collaborator. Professor Peter Buseck at Arizona State University collected particle samples during BBOP and analyzed some of them as part of this project. Unfunded collaborators include Dr. Arthur Sedlacek, III at Brookhaven National Laboratory (BNL) and Dr. Rahul Zaveri at the Pacific Northwest National Laboratory (PNNL) who were both principal investigators in the BBOP campaign, focusing on measurements and modeling, respectively. We are also working closely with Prof. Qi Zhang at UC Davis to coordinate analysis of BBOP flight data and data from the Mt. Bachelor Observatory (MBO), and with Dr. Kouji Adachi at the Meteorological Institute (Japan) to analyze laboratory-generated tar ball samples.

09 BIOMASS FUELS↗
DOE OSTI2024

Decoupling of the onset of anharmonicity between a protein and its surface water around 200 K

The protein dynamical transition at ~200 K, where the biomolecule transforms from a harmonic, non-functional form to an anharmonic, functional state, has been thought to be slaved to the thermal activation of dynamics in its surface hydration water. Here, by selectively probing the dynamics of protein and hydration water using elastic neutron scattering and isotopic labeling, we found that the onset of anharmonicity in the two components around 200 K is decoupled. The one in protein is an intrinsic transition, whose characteristic temperature is independent of the instrumental resolution time, but varies with the biomolecular structure and the amount of hydration, while the one of water is merely a resolution effect.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2014

Effect of Dy-substitution on the structural, vibrational, and multiferroic properties of BiFeO{sub 3} nanoparticles

Dysprosium (Dy) modified BiFeO{sub 3} [Bi{sub 1−x}Dy{sub x}FeO{sub 3} (x = 0.05, 0.10, and 0.15)] nanoparticles have been synthesized by a low temperature co-precipitation method. Rietveld analysis of X-ray diffraction data reveals a transformation from rhombohedral structure to orthorhombic structure with increase in the Dy concentration. From the transmission electron microscopy analysis, it is observed that the particle sizes of Bi{sub 1−x}Dy{sub x}FeO{sub 3} (x = 0.05, 0.10, and 0.15) nanoparticles range between 50–70, 40–50, and 30–50 nm, respectively. Raman spectra of Bi{sub 1−x}Dy{sub x}FeO{sub 3} (x = 0.05) belonging to rhombohedral (R3c) structure show 4A{sub 1} and 7E fundamental Raman modes in the range of 100–650 cm{sup −1} and two-phonon scattering modes such as 2A{sub 4} (longitudinal optical), 2E8 (transverse optical (TO)), and 2E{sub 9} (TO) in the range of 950–1270 cm{sup −1}. Suppression, broadening, and shifting of Raman modes have been observed with further increase in Dy concentration. The fundamental Raman modes of Bi{sub 1−x}Dy{sub x}FeO{sub 3} (x = 0.15) are assigned under orthorhombic (pnma) rather than rhombohedral (R3c) as the Rietveld analysis of X-ray diffraction data predicts a structural transformation for this particular composition. A complete suppression of two phonon modes has been noticed for this composition. An anomaly in the temperature dependent dielectric studies has been observed in all the samples at the vicinity of Neel temperature indicating a magnetic ordering, and an increase in magnetization with increase of Dy concentration in BiFeO{sub 3} is noticed from the room temperature magnetic studies. P–E hysteresis loop studies show a decrease of remnant polarization (P{sub r}) with the increase in Dy concentration and disappearance of hysteresis loop occurs for Bi{sub 1−x}Dy{sub x}FeO{sub 3} (x = 0.15) depicting a transformation from non-centrosymmetric (R3c) to centrosymmetric (Pnma) system.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS1972

The k-space formulation of the n-dimensional scattering problem

The n-dimensional scattering problem is solved by means of a k-space formulation of the field equations, thereby replacing the conventional integral equation formulation by a set of two algebraic equations in two unknowns in two spaces (the constitutive equation being an algebraic equation in x-space). These equations are solved by an iterative method with the aid of the fast Fourier transform (FFT) algorithm connecting the two spaces, requiring very simple initial approximations. Since algebraic and FFT equations are used, the number of arithmetic multiple-add operations and storage allocations required for a numerical solution are reduced from the order of N sq (for solving the matrix equations resulting from the conventional integral equations) to the order of N(log base 2 of N) and N, respectively (where N is the number of data points required for the specification of the problem). The advantage gained in speed and storage is thus of the order of N/log base 2 of N and N, respectively. This method is thus considerably more efficient than the conventional matrix method, and permits exact numerical solutions for much larger problems. Arguments are presented toward the view that the field equations are more fundamental in k-space. The details and some numerical results of the application of this method to the three-dimensional electromagnetic scattering problems are presented as an example.

Bojarski, N. N.↗
DOE OSTI2025

To Substitute Rather Than Intercalate: Chimie douce Approach to Induce Ferromagnetism in Metastable Pt 0.8 M 0.2 Se 2 ( M = Cr, Co, Ni)

Two-dimensional (2D) magnetic materials with exotic magnetic properties have garnered significant interest due to their potential applications in spintronics and data storage technologies. However, the limited availability of intrinsic 2D magnetic materials has driven efforts to induce and manipulate magnetism in otherwise nonmagnetic 2D systems through approaches such as chemical intercalation, defect engineering, and substitutional doping. Herein, we present a facile, chimie douce method for incorporating 3d transition metals (Cr, Co, and Ni) into the nonmagnetic PtSe 2 sublattice. This synthetic approach enables control over layer thickness of Pt 1–x M x Se 2 (M = Cr, Co, Ni) nanosheets by varying the M identity and annealing conditions. Comprehensive scattering and spectroscopic characterizations confirm the successful and homogeneous substitution of M atoms at the Pt site, rather than intercalation, and reveal a strong correlation between nanosheet thickness and the identity of the substituting metal. High-temperature annealing of the nanosheets promotes an irreversible transformation toward the bulk phase, allowing for detailed characterization of structural and magnetic properties. A case study of Pt 0.8 Cr 0.2 Se 2 reveals that nanosheet thickness plays a critical role in modulating local magnetic interactions. While Cr atoms in the as-synthesized few-layers-thick nanosheets exhibit predominantly short-range antiferromagnetic interactions, the emergence of short-range ferromagnetic exchange is revealed in the bulk material. Detailed ac susceptibility and remanent magnetization measurements further demonstrate that bulk Pt 0.8 Cr 0.2 Se 2 adopts a frustrated magnetic ground state with clear signatures of ferromagnetic cluster-glass behavior. The systematic investigation presented herein establishes a clear and robust protocol for the synthesis and in-depth characterization of 2D transition-metal-substituted PtSe2 materials with varying layer thickness and paves a path toward their realization in spintronic and magnetic device applications.

crystallinity↗
DOE OSTI2015

Dynamical origin of near- and below-threshold harmonic generation of Cs in an intense mid-infrared laser field

Near- and below-threshold harmonic generation provides a potential approach to generate vacuum-ultraviolet frequency comb. However, the dynamical origin of in these lower harmonics is less understood and largely unexplored. Here we perform an ab initio quantum study of the near- and below-threshold harmonic generation of caesium (Cs) atoms in an intense 3,600-nm mid-infrared laser field. Combining with a synchrosqueezing transform of the quantum time-frequency spectrum and an extended semiclassical analysis, the roles of multiphoton and multiple rescattering trajectories on the near- and below-threshold harmonic generation processes are clarified. We find that the multiphoton-dominated trajectories only involve the electrons scattered off the higher part of the combined atom-field potential followed by the absorption of many photons in near- and below-threshold regime. Furthermore, only the near-resonant below-threshold harmonic is exclusive to exhibit phase locked features. Our results shed light on the dynamic origin of the near- and below-threshold harmonic generation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Deformed lattice states in a Zn{sub 0.9}V{sub 0.1}Se cubic crystal

Neutron scattering patterns have been recorded for a bulk Zn{sub 0.9}V{sub 0.1}Se cubic crystal at room temperature; they are indicative of macroscopic deformation in the material and its significant inhomogeneity. Specific features of the previously found state, preceding the fcc ↔ hcp structural transformation of the sphalerite lattice upon strong destabilization induced by vanadium ions in the doped ZnSe matrix, are discussed taking into account the data obtained.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

On Possible States of the Crystal Structure Preceding to a Phase Transition in Zn{sub 1 –} {sub x}V{sub x}Se (0.01 ≤ x ≤ 0.10) Crystals

The systematic new formations observed in the reciprocal lattice of the cubic structural modification of a II–VI compound are characterized using a detailed neutron diffraction study of bulk semiconducting ZnSe crystals with an increased vanadium content. Direct evidence that the additional sites k = (1/3 1/3 1/3) 2π/a (k is the wave vector and a is cubic unit cell parameter) observed by neutron scattering in the crystals, in the case when they belong to mutually penetrated rotated sublattices, contain a superstructure contribution formed by short-wave deformation, is obtained for the first time. This structure state is determined as a pretransition to the concentration fcc–hcp phase transformation, and the basis functions that allow one to analyze atomic displacements, the correlation between which create distortion-type superstructures, are indicated for the transition through one-arm channel, considering the transitions by the star of wave vector k{sub 5} of the fcc lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

ALS/Milo: BL402 RSXD data analysis

Suite of tools designed to simply data collection, extraction, reduction, and plotting for resonant soft x-ray scattering experiments performed at ALS beamline 4.0.2; speeds up the process of converting data into meaningful information for users to publish experimental results. * Python software routines for processing CCD images, including reciprocal space maps, diffraction peak alignment, resonant spectral profiles, line-cut comparisons, coordinate transforms, etc. * Scan file generator, optimized for typical uses cases, reduces burden on users by handling complex operations behind the scenes of a simplified user interface * Deployed at beamline endstation computers; packaged and deployable as standardized PyPI package * Under version control (git) and hosted on LBL-sponsored repository (bitbucket)

Shafer, Padraic↗