Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “DIFFRACTION MODELS”

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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Highly reactive energetic films by pre-stressing nano-aluminum particles

Energetic films were synthesized using stress altered nano-aluminum particles (nAl). The nAl powder was pre-stressed to examine how modified mechanical properties of the fuel particles influenced film reactivity. Pre-stressing conditions varied by quenching rate. Slow and rapid quenching rates induced elevated dilatational strain within the nAl particles that was measured using synchrotron X-ray diffraction (XRD). An analytical model for stress and strain in a nAl core–Al 2 O 3 shell particle that includes creep in the shell and delamination at the core–shell boundary, was developed and used for interpretation of strain measurements. Results show rapid quenching induced 81% delamination at the particle core–shell interface also observed with Transmission Electron Microscopy (TEM). Slower quenching elevated dilatational strain without delamination. All films were prepared at approximately a 75 : 25 A : poly(vinylidene fluoride) PVDF weight ratio and were 1 mm thick. A drop weight impact test was performed to assess ignition sensitivity and combustion. Stress altered nAl exhibited greater energy release rates and more complete combustion than untreated nAl, but reaction dynamics and kinetics proceeded in two different ways depending on the nAl quenching rate during pre-stressing.

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

Real and complex valued geometrical optics inverse ray-tracing for inline field calculations

In this work, a 3-D ray based model for computing laser fields in dissipative and amplifying media is presented. The eikonal equation is solved using inverse ray-tracing on a dedicated nonstructured 3-D mesh. Inverse ray-tracing opens the possibility of using Complex Geometrical Optics (CGO), for which we propose a propagation formalism in a finite element mesh. Divergent fields at caustics are corrected using an etalon integral method for fold-type caustics. This method is successfully applied in dissipative media by modifying the ray-ordering and root selection rules, thereby allowing one to reconstruct the field in the entire caustic region. In addition, we demonstrate how caustics in the CGO framework can disappear entirely for sufficiently dissipative media, making the complex ray approach valid in the entire medium. CGO is shown to offer a more precise modeling of laser refraction and absorption in a dissipative medium when compared to Geometrical Optics (GO). In the framework of Inertial Confinement Fusion (ICF), this occurs mostly at intermediate temperatures or at high temperatures close to the critical density. Additionally, GO is invalid at low temperatures if an approximated expression of the permittivity is used. The inverse ray-tracing algorithm for GO and CGO is implemented in the IFRIIT code, in the framework of a dielectric permittivity described in 3-D using a piecewise linear approximation in tetrahedrons. Fields computed using GO and CGO are compared to results from the electromagnetic wave solver LPSE. Excellent agreement is obtained in 1-D linear and nonlinear permittivity profiles. Good agreement is also obtained for ICF-like Gaussian density profiles in 2-D. Finally, we demonstrate how the model reproduces Gaussian beam diffraction using CGO. The IFRIIT code will be interfaced inline to 3-D radiative hydrodynamic codes to describe the nonlinear laser plasma interaction in ICF and high-energy-density plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Canted antiferromagnetism and spin reorientation in corner-shared single chain quasi-one-dimensional Ba 2 ⁢FeSe 3

Here, we report the canted antiferromagnetic (AFM) structure together with a spin reorientation in a single chain quasi-one-dimensional (Q-1D) iron chalcogenide Ba 2⁢ FeSe 3 . Ba 2 ⁢FeSe 3 crystallizes in Pnma (No. 62) orthorhombic structure with linear single iron chains consisting of corner-shared distorted FeSe 4 tetrahedra along the 𝑏 axis. Ba 2 ⁢FeSe 3 is a narrow-gap semiconductor and orders AFM below 60 K. Modeling of neutron powder diffraction data reveals a canted AFM ground state of magnetic space group 𝑃⁢𝑎⁢21/𝑐 (BNS No. 14.80) with commensurate propagation vector 𝐤 =(0, $\frac{1}{2}$, 0), where the Fe ion spins are AFM aligned with up-down-up-down (↑−↓−↑−↓) sequence along the Q-1D chain direction of the 𝑏 axis. In the magnetically ordered state, the canting of magnetic moments reorients from the 𝑎⁢𝑐 plane to the 𝑎⁢𝑏 plane below 30 K, with a 10° tilting angle toward the 𝑎 axis, and the magnetic moment does not induce a net moment in either orientation. The density functional theory results indicate that an ↑−↓−↑−↓ AFM state is stabilized along the chain direction. In this work, we elucidate the unique canted AFM of the iron chalcogenide and pave the way for searching exotic physics in Q-1D Ba 2⁢ FeSe 3 .

Gao, Fei [Univ. of Texas at Dallas, Richardson, TX↗
DOE OSTI2019

Tunneling of two-dimensional surface polaritons through nanogaps in atomically thin crystals

We theoretically investigate the tunneling of two-dimensional surface polaritons (2DSPs) through nanometer-wide gaps in atomically thin crystals. For quantitatively accurate results, we developed a rigorous model based on the diffraction of 2DSPs for strongly confined surface polaritons (i.e., the polariton wavelength much shorter than the free-pace photon wavelength). We find distinctive features of the tunneling of 2DSPs. First, radiation loss during the tunneling is shown to be negligible. Second, the reflection coefficient R and tunneling coefficient T are shown to exhibit an anomalous logarithm singularity in their dependency on the gap width. Even for a gap size over two orders of magnitude smaller than the surface polariton wavelength, an appreciable reflection coefficient was observed in our calculation. Finally, we show that when the gap size increases, the phase of R saturates very rapidly to a nontrivial value of π/4. Based on these results, we further examine resonant tunneling of 2DSP through two identical gaps separated by a distance L, and establish a resonance condition defined by L≈λ sp (4n-1)/8 with a positive integer n.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Gluon Sivers function from forward exclusive χ c 1 photoproduction on unpolarized protons

Exclusive production of a χ c 1 axial vector quarkonia in photon-proton scattering at high energies requires a C -odd t -channel exchange. In the limit of vanishing momentum transfer this occurs either via the exchange of a photon, the Primakoff process, where the spin of the proton does not change. For axial-vector meson production, as a consequence of the Landau-Yang theorem, the Primakoff cross section is finite as t → 0 . Alternatively, a C -odd spin dependent Odderon can be exchanged, which involves a spin flip of the proton. The resulting cross section is related to the square of the collinear trigluon correlator or the k ⊥ -moment of the gluon Sivers function. Using two models for the gluon Sivers function from the literature we compute the ratio of Sivers to Primakoff cross sections and the angular coefficient λ θ governing the angular distribution of the χ c 1 → J / ψ + γ decay as functions of x . We point out that these observables constrain the magnitude of the gluon Sivers function at small x which could be accessed in electron-proton scattering and ultraperipheral proton-proton and nucleus-proton collisions. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Growth of FePt encapsulated carbon nanotubes by thermal chemical vapor deposition

FePt encapsulated carbon nanotubes (CNTs) were grown by thermal chemical vapor deposition using an Fe/Pt bilayer catalyst. The CNTs were grown according to the base growth model. Selected area electron diffraction results revealed that the encapsulated particles were A1-FePt, L1{sub 0}-FePt, and Fe{sub 3}PtC. The crystal structures of particles found at the root parts of CNTs were not able to be identified, however. The layered structure of catalytic films seemed to be responsible for the difference in Pt content between particles found at tip and root parts of CNTs. Approximately 60% of CNTs grown at 800 °C had particles at their tip parts, compared to only 30% when the growth temperature was 700 °C, indicating that higher process temperatures promote particle encapsulation in CNTs.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Microstructural evolution of thin polycrystalline metallic films under extreme conditions

Thin films are materials systems that are widely used in applications ranging from electronics and optical devices to industrial and biomedical ones. However, these systems are unstable against various homogenization processes and aging mechanisms (grain growth, coarsening, surface evolution, and diffusion of species) even at low service temperatures. In this work, we examine the role of various aspects of microstructure (grain boundary types and characters, free surfaces, surface diffusion, and thermal grooves) on the thermal aging of such systems. Existing experimental tools will be leveraged to characterize thin films, i.e., in-situ quantitative thermal annealing, and provide direct comparisons to predications emerging from a recently developed meso-scale model via Precession Electron Diffraction (PED). Parametric studies will be conducted to gain insights on the role of each of the aforementioned aspects of microstructure on the dynamics. Herein, we will focus on “hard” gold thin films (with alloying elements like Co, Ni, or Fe) as they are materials of choice in a wide range of applications at Sandia. Initially, pure gold systems are examined and future studies will focus on microstructure evolution in the presence of alloying elements and second-phase particles.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Characterization of Radiation Induced Defects Across Scales

The Whole Powder Pattern Modelling (WPPM) approach of diffraction line profile analysis (LPA) was applied for the first time on PuO 2 in order to understand the evolution of the microstructural properties as a function of process conditions. Crystallite size distributions and defect concentrations were determined by WPPM on three different PuO 2 samples - including one with a bimodal distribution and compared to the result of more common LPA analyses used in PuO 2 literature studies (e.g. Scherrer equation, double Voigt method). The conclusion was that a lognormal distribution of spherical crystallites with dislocations most closely represent the microstructure of PuO 2 produced by heating Pu 2 (C 2 O 4 ) 3 (H 2 O) 6 •3H 2 O between 650°C and 850°C. The volume-weighted mean column length (Lvol) parameter obtained from the double Voigt method for the monomodal samples were the same as the Lvol obtained from the WPPM within uncertainty. The two LPA methods did not agree on the Lvol parameters of the bimodal distribution sample with only the WPPM getting values that were consistent with the individual components. The WPPM can potentially provide more insight into future studies of the influences on the microstructure properties of PuO 2 .

36 MATERIALS SCIENCE↗
NASA NTRS1974

Satellite determination of nature and microstructure of atmospheric aerosols

A method is presented for the determination of aerosol physical parameters on the basis of scattered radiance measurements. The reconstruction of aerosol particle size distribution in the case of a spectral forward scattering method is considered, taking into account an inverse diffraction integral expression, a model cloud, the effect of lower wavenumber cut-off, the effect of higher wavenumber cut-off, the effect of spectral resolution, and the effects of multiple scattering and background noise. The determination of the aerosol complex refractive index with the aid of a minimization search method is also discussed.

Fymat, A. L.↗
NASA NTRS1985

Effects of deterministic surface distortions on reflector antenna performance

Systematic distortions of reflector antenna surfaces can cause antenna radiation patterns to be undesirably different from those of perfectly smooth reflector surfaces. In this paper, a simulation model for systematic distortions is described which permits an efficient computation of the effects of distortions in the reflector pattern. The model uses a vector diffraction physical optics analysis for the determination of both the co-polar and cross-polar fields. An interpolation scheme is also presented for the description of reflector surfaces which are prescribed by discrete points. Representative numerical results are presented for reflectors with sinusoidally and thermally distorted surfaces. Finally, comparisons are made between the measured and calculated patterns of a slowly-varying distorted offset parabolic reflector.

Rahmat-Samii, Y.↗
NASA NTRS1987

Observations of the 22 April 1982 stellar occultation by Uranus and the rings

The 1.5 m telescope of Teide Observatory at Teneriffe was used to observe an occultation of the stellar object KME 14 by the Uranus ring system. The telescope was equipped with a two-channel IR flux collector, with one passband centered at 4490 A and the other near 8800 A. Data processing procedures that were used are detailed. The ring profiles were analyzed with a square-well model, which accounted for diffraction and finite source size while treating each ring as sharp-edged and uniformly translucent. An emersion lightcurve was obtained and inverted to yield a temperature profile of the upper atmosphere of Uranus, which displayed a temperature maximum (at 8 microbar) near the equator.

Millis, Robert L.↗
NASA NTRS1987

The occultation of KME 17 by Uranus and its rings

K-filter/InSb observations of the March 25, 1983 occultation of KME 17 by Uranus and its rings yielded nonchopping-mode recordings of the immersion of the nine main rings and the emersion of rings 5, 4, alpha, and beta; a diffracted square-well model has been fitted to these data in order to derive the midtime, width, and equivalent depth for each profile, in view of a profile model encompassing the diameter of the occulted star as a free parameter. Assuming a fully darkened disk, the angular diameter of KME 17 is 0.096 + or - 0.005 milliarcsec. Attention is also given to JHKL-band photometry for both KME 17 and other Uranian-ring-occulted stars.

Elliot, J. L.↗
NASA NTRS1994

Role of small ice crystals in radiative properties of cirrus: A case study, FIRE II, November 22, 1991

Aircraft observations of cirrus cloud were made near Coffeyville, Kansas, during November 1991 as part of the First ISCCP Regional Experiment II (FIRE II) project. Cloud ice particle spectra measurements were made using both a particle measuring system (PMS) 2DC probe and an ice particle replicator. Particles larger than 200 micrometers were column rosettes. The replicator shows the presence of large numbers of ice crystals smaller than 66 micrometers (two PMS size bins) that are not recorded by the PMS 2DC probe. Calculations based on the replicator data of the geometrical blocked area and absorption cross section of the cloud per unit volume show that small particles can contribute significantly to and sometimes dominate both the solar extinction and the infrared emission. Intercomparison is made of the ice particle size, area, and mass distributions determined by these different instruments. Power law relationships for area occluded by a crystal as a function of crystal maximum dimension were computed from the PMS 2DC data. The wavelength-dependent infrared absorption cross section per volume was computed using a simple model based on anomalous diffraction and area and mass dimensional relationships for the ice crystals.

Arnott, W. Patrick↗
NASA NTRS2002

Effect of the Chemical State of the Surface on the Relaxation of the Surface Shell Atoms in SiC and GaN Nanocrystals

The effect of the chemical state of the surface of nanoparticles on the relaxation in the near-surface layer was examined using the concept of the apparent lattice parameter (alp) determined for different diffraction vectors Q. The apparent lattice parameter is a lattice parameter determined either from an individual Bragg reflection, or from a selected region of the diffraction pattern. At low diffraction vectors the Bragg peak positions are affected mainly by the structure of the near-surface layer, while at high Q-values only the interior of the nano-grain contributes to the diffraction pattern. Following the measurements on raw (as prepared) powders we investigated powders cleaned by annealing at 400C under vacuum, and the same powders wetted with water. Theoretical alp-Q plots showed that the structure of the surface layer depends on the sample treatment. Semi-quantitative analysis based on the comparison of the experimental and theoretical alp-Q plots was performed. Theoretical alp-Q relations were obtained from the diffraction patterns calculated for models of nanocrystals with a strained surface layer using the Debye functions.

Palosz, B.↗
NASA NTRS1995

Optimization of Coherent Lidar Performance Using Graded- Reflectance Transmitter Resonator Optics in the Low Equivalent Fresnel Number Region

Using a diffractive eigenmode treatment to model the laser output, we show that graded-reflectance resonator optics offer significant efficiency benefits over conventional hard-edge coupled unstable resonators in the context of coherent detection lidar applications. Extending previous work pertinent to the high equivalent Fresnel number regime, we have modelled the optimum performance of a notional super-Gaussian coupled cavity as a function of the key resonator parameters in the low equivalent Fresnel number regime.

lidar graded-reflectance transmitter resonator↗
DOE OSTI2020

Thermal, mechanical, and electrical properties of LSCo/mullite composite contact materials for solid oxide fuel cells

Lanthanum strontium cobaltite (LSCo) is considered as a good candidate cathode contact material for solid oxide fuel cells, due to high electrical conductivity. However, LSCo has a very large coefficient of thermal expansion (CTE) than the cells and metallic interconnects. As a result, poor mechanical stability is expected during thermal cycling. To minimize the CTE mismatch, we investigate a composite approach involving mixing LSCo with an inert material of low CTE, such as mullite at volume fractions from 0.1 to 0.4. Composite’s CTE shows a decreasing trend with increasing mullite volume fractions, and is consistent with model predictions. X-ray powder diffraction analysis of sintered LSCo/mullite composites exhibits no presence of other phases for samples aged for 500h at 800oC, indicating chemical compatibility. Electrical conductivity by a 4-pt method shows a decreasing trend with increasing mullite content. Contact strength of as-sintered and thermally cycled samples show that only the composite with 0.4 volume fraction has a measurable strength; the other composites have no strength. Overall, the composite approach is demonstrated in the LSCo/mullite system to lower the CTE and hence achieve thermal cycle stability. The addition of the inert phase to the LSCo matrix; however, also reduces the electrical conductivity.

Contact materials, LSCo, mullite, CTE, electrical ↗
DOE OSTI2018

Single-shot 3D coherent diffractive imaging of core-shell nanoparticles with elemental specificity

We report 3D coherent diffractive imaging (CDI) of Au/Pd core-shell nanoparticles with 6.1nm spatial resolution with elemental specificity. We measured single-shot diffraction patterns of the nanoparticles using intense x-ray free electron laser pulses. By exploiting the curvature of the Ewald sphere and the symmetry of the nanoparticle, we reconstructed the 3D electron density of 34 core-shell structures from these diffraction patterns. To extract 3D structural information beyond the diffraction signal, we implemented a super-resolution technique by taking advantage of CDI’s quantitative reconstruction capabilities. We used high-resolution model fitting to determine the Au core size and the Pd shell thickness to be 65.0±1.0nm and 4.0±0.5nm, respectively. We also identified the 3D elemental distribution inside the nanoparticles with an accuracy of 3%. To further examine the model fitting procedure, we simulated noisy diffraction patterns from a Au/Pd core-shell model and a solid Au model and confirmed the validity of the method. We anticipate this super-resolution CDI method can be generally used for quantitative 3D imaging of symmetrical nanostructures with elemental specificity.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2014

Low missing mass, single and double diffraction dissociation at the LHC

The cross sections for single and double diffraction dissociation at low missing masses are calculated for the LHC energies on the basis of the dual (Regge) model under the assumption of a dominant contribution of the exchange of the Pomeron Regge pole. The model reproduces the rich resonance structure in the region of low missing masses M{sub x}. Diffractively excited states lie on the nucleon trajectory M{sub x} supplemented with the isolated Roper resonance. Detailed predictions for the squared momentum transfer and missing-mass dependence of the differential and integrated single and double diffraction dissociation in the kinematical range of present and future LHC measurements are given.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗