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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
NASA NTRS2003

NASA Tech Briefs, November 2003

Topics covered include: Computer Program Recognizes Patterns in Time-Series Data; Program for User-Friendly Management of Input and Output Data Sets; Noncoherent Tracking of a Source of a Data-Modulated Signal; Software for Acquiring Image Data for PIV; Detecting Edges in Images by Use of Fuzzy Reasoning; A Timer for Synchronous Digital Systems; Prototype Parts of a Digital Beam-Forming Wide-Band Receiver; High-Voltage Droplet Dispenser; Network Extender for MIL-STD-1553 Bus; MMIC HEMT Power Amplifier for 140 to 170 GHz; Piezoelectric Diffraction-Based Optical Switches; Numerical Modeling of Nanoelectronic Devices; Organizing Diverse, Distributed Project Information; Eigensolver for a Sparse, Large Hermitian Matrix; Modified Polar-Format Software for Processing SAR Data; e-Stars Template Builder; Software for Acoustic Rendering; Functionally Graded Nanophase Beryllium/Carbon Composites; Thin Thermal-Insulation Blankets for Very High Temperatures; Prolonging Microgravity on Parabolic Airplane Flights; Device for Locking a Control Knob; Cable-Dispensing Cart; Foam Sensor Structures Would be Self-Deployable and Survive Hard Landings; Real-Gas Effects on Binary Mixing Layers; Earth-Space Link Attenuation Estimation via Ground Radar Kdp; Wedge Heat-Flux Indicators for Flash Thermography; Measuring Diffusion of Liquids by Common-Path Interferometry; Zero-Shear, Low-Disturbance Optical Delay Line; Whispering-Gallery Mode-Locked Lasers; Spatial Light Modulators as Optical Crossbar Switches; Update on EMD and Hilbert-Spectra Analysis of Time Series; Quad-Tree Visual-Calculus Analysis of Satellite Coverage; Dyakonov-Perel Effect on Spin Dephasing in n-Type GaAs; Update on Area Production in Mixing of Supercritical Fluids; and Quasi-Sun-Pointing of Spacecraft Using Radiation Pressure.

Source record↗
DOE OSTI2015

In situ analysis of texture development from sinusoidal stress at high pressure and temperature

Here, we present a new experimental protocol to investigate the relationship between texture, plastic strain, and the mechanisms of plastic deformation at high pressure and temperature. The method utilizes synchrotron X-ray radiation as the probing tool, coupled with a large-volume high pressure deformation device (D-DIA). The intensity of X-ray diffraction peaks within the spectrum of the sample is used for sampling texture development in situ. The unique feature of this study is given by the sinusoidal variation of the intensity when a sinusoidal strain is applied to the sample. For a sample of magnesium oxide at elevated pressure and temperature, we demonstrate observations that are consistent with elasto-plastic models for texture development and for diffraction-peak measurements of apparent stress. The sinusoidal strain magnitude was 3%.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1976

Semi-empirical airframe noise prediction model

A semi-empirical maximum overall sound pressure level (OASPL) airframe noise model was derived. The noise radiated from aircraft wings and flaps was modeled by using the trailing-edge diffracted quadrupole sound theory derived by Ffowcs Williams and Hall. The noise radiated from the landing gear was modeled by using the acoustic dipole sound theory derived by Curle. The model was successfully correlated with maximum OASPL flyover noise measurements obtained at the NASA Dryden Flight Research Center for three jet aircraft - the Lockheed JetStar, the Convair 990, and the Boeing 747 aircraft.

Hersh, A. S.↗
DOE OSTI2019

Structural Peculiarities of the Intermediate Phase in Zr-Rich Lead Zirconate Titanate

This paper presents the results of X-ray diffraction studies on a single crystal of lead zirconate titanate PbZr{sub 0.993}Ti{sub 0.007}O{sub 3} in the region of existence of an intermediate ferroelectric phase. In addition to the known superstructure reflections of the M type q{sub M} = {(1/2),(1/2),0} and the first-order satellite reflections q{sub M} + {δ, δ, δ}, unknown second-order satellites have been observed near q{sub M} and near the Bragg reflections. Structural model of regular system of antiphase domains is used for diffraction calculation. The model is shown to describe the first- and second-orders satellite reflections in the vicinity of q{sub M}, but it cannot explain the appearance of satellites around the main Bragg peaks. A possible origin of the system of the superstructures observed in the intermediate phase is discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Random Forest Prediction of Crystal Structure from Electron Diffraction Patterns

Transmission electron microscopy (TEM) diffraction patterns are regularly used to determine the structure of crystalline materials. Electron diffraction is the most common method to solve for unknown or partially known crystal structures, as it provides direct and interpretable feedback on the orientation of crystal grains under the beam [1]. However, it remains a challenge to determine the crystal structure of a new material or even a new phase of an existing material. Analysis of such materials commonly requires manual exploration and comparison with simulated diffraction patterns. This is often a time consuming process with no obvious start point when many similar structures are possible, and this method cannot be used to determine crystal structure or orientation from structures not included in the diffraction libraries. Therefore, we have developed a machine learning model to determine the crystal structure of a material from its electron diffraction pattern.

36 MATERIALS SCIENCE↗
DOE OSTI2017

ECCI, EBSD and EPSC characterization of rhombohedral twinning in polycrystalline α-alumina deformed in a D-DIA apparatus

Rhombohedral twinning in alumina (aluminium oxide, α-Al 2 O 3 ) is an important mechanism for plastic deformation under high-temperature–pressure conditions. Rhombohedral twins in a polycrystalline alumina sample deformed in a D-DIA apparatus at 965 K and 4.48 GPa have been characterized. Three classes of grains were imaged, containing single, double and mosaic twins, using electron channeling contrast imaging (ECCI) in a field emission scanning electron microscope. These twinned grains were analyzed using electron backscatter diffraction (EBSD). The methodology for twin identification presented here is based on comparison of theoretical pole figures for a rhombohedral twin with experimental pole figures obtained with EBSD crystal orientation mapping. An 85°(02{\overline 2}1) angle–axis pair of misorientation was identified for rhombohedral twin boundaries in alumina, which can be readily used in EBSD post-processing software to identify the twin boundaries in EBSD maps and distinguish the rhombohedral twins from basal twins. Elastic plastic self-consistent (EPSC) modeling was then used to model the synchrotron X-ray diffraction data from the D-DIA experiments utilizing the rhombohedral twinning law. From these EPSC models, a critical resolved shear stress of 0.25 GPa was obtained for rhombohedral twinning under the above experimental conditions, which is internally consistent with the value estimated from the applied load and Schmid factors determined by EBSD analysis.

Kaboli, Shirin (ORCID:0000000307447764)↗
DOE OSTI2025

X-ray thermal diffuse scattering as a texture-robust temperature diagnostic for dynamically compressed solids

We present a model of x-ray thermal diffuse scattering (TDS) from a cubic polycrystal with an arbitrary crystallographic texture, based on the classic approach of Warren [B. E. Warren, Acta Crystallogr. 6, 803 (1953)]. We compare the predictions of our model with femtosecond x-ray diffraction patterns gathered from ambient and dynamically compressed rolled copper foils obtained at the High Energy Density instrument of the European X-Ray Free-Electron Laser facility and find that the texture-aware TDS model yields more accurate results than does the conventional powder model owed to Warren. Nevertheless, we further show: with sufficient angular detector coverage, the TDS signal is largely unchanged by sample orientation and in all cases strongly resembles the signal from a perfectly random powder; shot-to-shot fluctuations in the TDS signal resulting from grain-sampling statistics are at the percent level, in stark contrast to the fluctuations in the Bragg-peak intensities (which are over an order of magnitude greater); and TDS is largely unchanged even following texture evolution caused by compression-induced plastic deformation. We conclude that TDS is robust against texture variation, making it a flexible temperature diagnostic applicable just as well to off-the-shelf commercial foils as to ideal powders.

Crystal lattices↗
DOE OSTI2013

Importance of Second-Order Difference-Frequency Wave-Diffraction Forces in the Validation of a Fast Semi-Submersible Floating Wind Turbine Model: Preprint

To better access the abundant offshore wind resource, efforts across the world are being undertaken to develop and improve floating offshore wind turbine technologies. A critical aspect of creating reliable, mature floating wind turbine technology is the development, verification, and validation of efficient computer-aided-engineering (CAE) tools that can be relied upon in the design process. The National Renewable Energy Laboratory (NREL) has created a comprehensive, coupled analysis CAE tool for floating wind turbines, FAST, which has been verified and utilized in numerous floating wind turbine studies. Several efforts are currently underway that leverage the extensive 1/50th-scale DeepCwind wind/wave basin model test dataset, obtained at the Maritime Research Institute Netherlands (MARIN) in 2011, to validate the floating platform functionality of FAST to complement its already validated aerodynamic and structural simulation capabilities. In this paper, further work is undertaken to continue this validation. In particular, the ability of FAST to replicate global response behaviors associated with dynamic wind forces, second-order difference-frequency wave-diffraction forces and their interaction with one another are investigated.

17 WIND ENERGY↗
DOE OSTI2016

Coupled Mooring Analyses for the WEC-Sim Wave Energy Converter Design Tool: Preprint

A wave-energy-converter-specific time-domain modeling method (WEC-Sim) was coupled with a lumped-mass-based mooring model (MoorDyn) to improve its mooring dynamics modeling capability. This paper presents a verification and validation study on the coupled numerical method. First, a coupled model was built to simulate a 1/25 model scale floating power system connected to a traditional three-point catenary mooring with an angle of 120 between the lines. The body response and the tension force on the mooring lines at the fairlead in decay tests and under regular and irregular waves were examined. To validate and verify the coupled numerical method, the simulation results were compared to the measurements from a wave tank test and a commercial code (OrcaFlex). Second, a coupled model was built to simulate a two-body point absorber system with a chain-connected catenary system. The influence of the mooring connection on the point absorber was investigated. Overall, the study showed that the coupling of WEC-Sim and the MoorDyn model works reasonably well for simulating a floating system with practical mooring designs and predicting the corresponding dynamic loads on the mooring lines. Further analyses on improving coupling efficiency and the feasibility of applying the numerical method to simulate WEC systems with more complex mooring configuration are still needed.

16 TIDAL AND WAVE POWER↗
DOE OSTI2021

Structure of triple perovskite BaSr 2 MgTa 2 O 9 revisited

An experimental investigation of the structure and crystal-chemistry of the triple perovskite BaSr 2 MgTa 2 O 9 is reported. Polycrystalline BaSr 2 MgTa 2 O 9 was synthesized via solid-state reaction and its structure quantitatively probed at 10 and 300 ​K using neutron diffraction. Monoclinic (A2/m, a 0 $\bar{b}$ – $b$ – ) and trigonal structural models (P$\bar{3}$c1, a – a – a – ) were fit to diffraction data. The former was found to correctly reproduce experimental intensities, while the latter failed to do so. This difference is attributed to the ability of the monoclinic model to accurately reflect octahedral tilting. BaSr 2 MgTa 2 O 9 features corner-sharing MgO 6 and TaO 6 octahedra with barium and strontium cations occupying cubooctahedral holes. Barium and strontium are disordered over the A site, whereas B site cations magnesium and tantalum are ordered. Finally, chemical substitution of strontium for barium in Ba 3 MgTa 2 O 9 induces tilting of MgO 6 and TaO 6 octahedra in two directions and geometric distortions of MgO 6 octahedra.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Electron-irradiation-induced Cr segregation in Fe-Cr model alloy pre-implanted with hydrogen ions

Highlights: • Streaks appeared in the diffraction patterns of hydrogen-implanted Fe-Cr alloy after electron irradiation in an HVEM. • A kind of needle-like Cr precipitates give rise to the streaks. • The streaks are explained reasonably by shape effect of precipitates. - Abstract: Reduced activation ferritic/martensitic (RAFM) steels are widely accepted as the candidate structural materials for fusion reactors. To gain knowledge about Cr behaviour of these steels in such environments, Fe-Cr binary alloys have to be investigated. In this study, Fe-10 at.% Cr ferritic model alloy pre-implanted with hydrogen ions was electron-irradiated in a high voltage electron microscope (HVEM) at the temperature ranging from 300 °C to 600 °C. Streaks were observed in the diffraction patterns in the model alloy after electron irradiation at 450–550 °C and explained reasonably by shape effect. The analysis of transmission electron microscopy (TEM) reveals that the observed streaks are induced by a kind of needle-like precipitates with the directions along <100>. The dependence of the length and density of the precipitates on the temperature were studied. In addition, contrast experiments were conducted with pure Fe and Fe-10 at.% Cr alloy with and without hydrogen ion implantation, respectively. After electron irradiation, no streak was observed in the hydrogen-implanted pure Fe and Fe-10 at.% Cr alloy without the hydrogen implantation. Therefore, it is assumed that the needle-like precipitates could be the complex of Cr and H, which segregate and precipitate along <100> direction.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Individual phase constitutive properties of a TRIP-assisted QP980 steel from a combined synchrotron X-ray diffraction and crystal plasticity approach

Microstructure-based constitutive models for multiphase steels require accurate constitutive properties of the individual phases for component forming and performance simulations. We address this requirement with a combined experimental/theoretical methodology which determines the critical resolved shear stresses and hardening parameters of the constituent phases in QP980, a TRIP assisted steel subject to a two-step quenching and partitioning heat treatment. High energy X-Ray diffraction (HEXRD) from a synchrotron source provided the average lattice strains of the ferrite, martensite, and austenite phases from the measured volume during in situ tensile deformation. The HEXRD data was then input to a computationally efficient, elastic-plastic self-consistent (EPSC) crystal plasticity model which estimated the constitutive parameters of different slip systems for the three phases via a trial-and-error approach. The EPSC-estimated parameters are then input to a finite element crystal plasticity (CPFE) model representing the QP980 tensile sample. The predicted lattice strains and global stress versus strain curves are found to be 8% lower that the EPSC model predicted values and from the HEXRD measurements, respectively. This discrepancy, which is attributed to the stiff secant assumption in the EPSC formulation, is resolved with a second step in which CPFE is used to iteratively refine the EPSC-estimated parameters. Remarkably close agreement is obtained between the theoretically-predicted and experimentally derived flow curve for the QP980 material.

Hu, X. H. (ORCID:0000000277355091)↗
DOE OSTI2018

An instrument for in situ time-resolved X-ray imaging and diffraction of laser powder bed fusion additive manufacturing processes

In situ X-ray-based measurements of the laser powder bed fusion (LPBF) additive manufacturing process produce unique data for model validation and improved process understanding. Synchrotron X-ray imaging and diffraction provide high resolution, bulk sensitive information with sufficient sampling rates to probe melt pool dynamics as well as phase and microstructure evolution. Here, we describe a laboratory-scale LPBF test bed designed to accommodate diffraction and imaging experiments at a synchrotron X-ray source during LPBF operation. We also present experimental results using Ti-6Al-4V, a widely used aerospace alloy, as a model system. Both imaging and diffraction experiments were carried out at the Stanford Synchrotron Radiation Lightsource. Melt pool dynamics were imaged at frame rates up to 4 kHz with a ~1.1 μm effective pixel size and revealed the formation of keyhole pores along the melt track due to vapor recoil forces. Diffraction experiments at sampling rates of 1 kHz captured phase evolution and lattice contraction during the rapid cooling present in LPBF within a ~50 × 100 μm area. In conclusion, we also discuss the utility of these measurements for model validation and process improvement.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A new theory for X-ray diffraction

By considering the scattering distributed throughout space, there is an intensity enhancement at the Bragg angle even when the Bragg condition is not satisfied. This leads to an alternative explanation for the diffraction from powders and small crystals. This article proposes a new theory of X-ray scattering that has particular relevance to powder diffraction. The underlying concept of this theory is that the scattering from a crystal or crystallite is distributed throughout space: this leads to the effect that enhanced scatter can be observed at the ‘Bragg position’ even if the ‘Bragg condition’ is not satisfied. The scatter from a single crystal or crystallite, in any fixed orientation, has the fascinating property of contributing simultaneously to many ‘Bragg positions’. It also explains why diffraction peaks are obtained from samples with very few crystallites, which cannot be explained with the conventional theory. The intensity ratios for an Si powder sample are predicted with greater accuracy and the temperature factors are more realistic. Another consequence is that this new theory predicts a reliability in the intensity measurements which agrees much more closely with experimental observations compared to conventional theory that is based on ‘Bragg-type’ scatter. The role of dynamical effects (extinction etc.) is discussed and how they are suppressed with diffuse scattering. An alternative explanation for the Lorentz factor is presented that is more general and based on the capture volume in diffraction space. This theory, when applied to the scattering from powders, will evaluate the full scattering profile, including peak widths and the ‘background’. The theory should provide an increased understanding of the reliability of powder diffraction measurements, and may also have wider implications for the analysis of powder diffraction data, by increasing the accuracy of intensities predicted from structural models.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Measuring and modeling diffuse scattering in protein X-ray crystallography

X-ray diffraction has the potential to provide rich information about the structural dynamics of macromolecules. To realize this potential, both Bragg scattering, which is currently used to derive macromolecular structures, and diffuse scattering, which reports on correlations in charge density variations, must be measured. Until now, measurement of diffuse scattering from protein crystals has been scarce because of the extra effort of collecting diffuse data. Here, we present 3D measurements of diffuse intensity collected from crystals of the enzymes cyclophilin A and trypsin. The measurements were obtained from the same X-ray diffraction images as the Bragg data, using best practices for standard data collection. To model the underlying dynamics in a practical way that could be used during structure refinement, we tested translation–libration–screw (TLS), liquid-like motions (LLM), and coarse-grained normal-modes (NM) models of protein motions. The LLM model provides a global picture of motions and was refined against the diffuse data, whereas the TLS and NM models provide more detailed and distinct descriptions of atom displacements, and only used information from the Bragg data. Whereas different TLS groupings yielded similar Bragg intensities, they yielded different diffuse intensities, none of which agreed well with the data. In contrast, both the LLM and NM models agreed substantially with the diffuse data. In conclusion, these results demonstrate a realistic path to increase the number of diffuse datasets available to the wider biosciences community and indicate that dynamics-inspired NM structural models can simultaneously agree with both Bragg and diffuse scattering.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS2021

EXEP: Catching the rays- modeling the stray light background of a starshade.

Diffraction and reflection from the optical edges is the dominant source of stray light from a starshade. However, recent progress in optical edge design has led to much reduced predictions of stray light deriving from this source. Secondary sources now also play a role; these sources arise from two or more reflections from the starshade structure. These multiple reflections allow light to reach the telescope from parts of the structure that are shaded from direct sunlight. Here we analyze the secondary sources for the starshade model developed as part of the NASA’s S5 starshade technology development and show the effects of optical edge mechanical design variants and mitigations.

Stegman, Matthew↗