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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A Bayesian approach to modeling diffraction profiles and application to ferroelectric materials

A new statistical approach for modeling diffraction profiles is introduced, using Bayesian inference and a Markov chain Monte Carlo (MCMC) algorithm. This method is demonstrated by modeling the degenerate reflections during application of an electric field to two different ferroelectric materials: thin-film lead zirconate titanate (PZT) of composition PbZr 0.3 Ti 0.7 O 3 and a bulk commercial PZT polycrystalline ferroelectric. Here, the new method offers a unique uncertainty quantification of the model parameters that can be readily propagated into new calculated parameters.

36 MATERIALS SCIENCE↗
NASA NTRS2016

Diffraction Modeling of Finite Subband EFC Probing on Dark Hole Contrast with WFIRST-CGI Shaped Pupil Coronagraph

The current NASA WFIRST (Wide-Field InfraRed Survey Telescope) coronagraph instrument (CGI) design allocates two subband filters per each full science band in order to contain system complexity and cost. We present our detailed investigation results on the adequacy of such a limited number of finite subband filters in achieving broadband dark hole contrast with a shaped pupil coronagraph (SPC). The study is based on diffraction propagation modeling with realistic WFIRST optics, where each subband’s image plane electric field is estimated from pairwise pupil plane deformable mirror (DM) probing and image plane intensity averaging of the resulting fields of multiple (subband) wavelengths. Multiple subband choices and probing and control strategies are explored, including standard subband probing; mixed wavelength and/or weighted Jacobian matrix; subband probing with intensity subtraction; and extended subband probing with intensity subtraction. Overall, the investigation shows that the achievable contrast with a limited number of finite subbands is about 2~2.5x worse than the designed contrast for the current SPC. The result suggests that future shaped pupil designs should be optimized for slightly broader bandwidths than the intended science bandpasses if limited subbands are used for wavefront sensing via probing.

WFIRST↗
DOE OSTI2024

A phase-field diffraction model for thermo-hydro-mechanical propagating fractures

This paper introduces a novel diffraction based thermo-hydraulic–mechanical (THM) model for fracture propagation using a phase-field fracture (PFF) approach. The key innovation of the THM-PFF model lies in its integrated treatment of four solution variables—displacements, phase-field, pressure, and temperature—each governed by a combination of conservation of momentum (mechanics problem), a variational inequality (constrained minimization problem), mass conservation (pressure problem), and energy conservation (temperature problem). This leads to a new formulation of a coupled variational inequality system. A major advancement is the development of an extended fixed-stress algorithm, where displacements, phase-field, pressures, and temperatures are solved in a staggered sequence. An important aspect of this work is the global coupling of pressures and temperatures across the domain using diffraction systems, with diffraction coefficients defined by material parameters weighted by the diffusive phase-field variable. To ensure robust local mass conservation, we employ enriched Galerkin finite elements (EG) for both pressure and temperature diffraction equations. By enriching the continuous Galerkin basis functions with discontinuous piecewise constants, EG accurately represents solution and parameter discontinuities while preserving local mass and energy conservation—crucial aspects for THM problems and realistic behavior. Moreover, the use of a predictor–corrector local mesh adaptivity scheme is employed, allowing the model to handle small phase-field length-scale parameters while maintaining high numerical accuracy and reasonable computational cost. Furthermore, these new model and algorithmic developments represent significant advances in the field and have been substantiated through rigorous numerical tests.

Diffraction systems↗
NASA NTRS2017

Sound Diffraction Modeling of Rotorcraft Noise Around Terrain

A new computational technique, Wave Confinement (WC), is extended here to account for sound diffraction around arbitrary terrain. While diffraction around elementary scattering objects, such as a knife edge, single slit, disc, sphere, etc. has been studied for several decades, realistic environments still pose significant problems. This new technique is first validated against Sommerfeld's classical problem of diffraction due to a knife edge. This is followed by comparisons with diffraction over three-dimensional smooth obstacles, such as a disc and Gaussian hill. Finally, comparisons with flight test acoustics data measured behind a hill are also shown. Comparison between experiment and Wave Confinement prediction demonstrates that a Poisson spot occurred behind the isolated hill, resulting in significantly increased sound intensity near the center of the shadowed region.

Stephenson, James H.↗
NASA NTRS2020

Validation of Diffraction Models With Experimental Results From the Princeton Starshade Testbed

Starshades are a leading technology to detect and characterize Earth-like exoplanets. In this paper we report on optical experiments of sub-scale starshades that advance critical starlight suppression technologies in preparation for the next generation of space telescopes. These experiments were conducted at the Princeton starshade testbed, an 80 m long enclosure testing 1/1000th scale starshades at a ight-like Fresnel number. In this paper we summarize recent updates made to the starshade testbed and optical model. We present results from recent experiments testing two starshade masks with intentional perturbations built into their shape. One of the perturbed masks has three petals that are shifted radially outward by 7-11 microns and the other mask has two petals shifted radially outward plus two petal edge segments displaced from their nominal position. We show the model agrees with experiment to better than 25% accuracy. These results are placed into context with previous experiments on perturbed shapes and progress made towards satisfying a critical milestone in advancing starshade technology to TRL 5.

Galvin, Michael↗
DOE OSTI2016

An engineered design of a diffractive mask for high precision astrometry [Modeling a diffractive mask that calibrates optical distortions]

AutoCAD, Zemax Optic Studio 15, and Interactive Data Language (IDL) with the Proper Library are used to computationally model and test a diffractive mask (DiM) suitable for use in the Gemini Multi-Conjugate Adaptive Optics System (GeMS) on the Gemini South Telescope. Systematic errors in telescope imagery are produced when the light travels through the adaptive optics system of the telescope. DiM is a transparent, flat optic with a pattern of miniscule dots lithographically applied to it. It is added ahead of the adaptive optics system in the telescope in order to produce diffraction spots that will encode systematic errors in the optics after it. Once these errors are encoded, they can be corrected for. DiM will allow for more accurate measurements in astrometry and thus improve exoplanet detection. Furthermore, the mechanics and physical attributes of the DiM are modeled in AutoCAD. Zemax models the ray propagation of point sources of light through the telescope. IDL and Proper simulate the wavefront and image results of the telescope. Aberrations are added to the Zemax and IDL models to test how the diffraction spots from the DiM change in the final images. Based on the Zemax and IDL results, the diffraction spots are able to encode the systematic aberrations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

MAUD Interface Tool Kit (MILK)

Materials Analysis Using Diffraction (MAUD) is an open source Rietveld refinement program which fits diffraction models to diffraction spectra allowing quantitative diffraction analysis. The scripting interface developed here using python facilitates the choice of parameters to refine during the Rietveld fitting process and provides a simple MPI framework for running MAUD instances in parallel. The scripting language facilitates batch, custom, and reproducible Rietveld refinements of large datasets.

Savage, Daniel↗
NASA NTRS2021

Results From The Laboratory Demonstration Of A PIAACMC Coronagraph With A Segmented Aperture

The phase-induced amplitude apodization complex mask coronagraph (PIAACMC) provides high throughput and small inner working angle with little loss in image quality. Coronagraph compatibility with segmented apertures is essential for the success of habitable planet characterization with future large aperture space telescopes, such as the Large UV/Optical/Infrared (LUVOIR) and HabEx telescope mission concepts. The PIAACMC is compatible with such segmented telescope apertures with little loss of performance. We report the contrast and other performance results of a PIAACMC coronagraph with a LUVOIR-like pupil mask assembled and tested in a vacuum chamber at the JPL high contrast imaging testbed (HCIT). The goals of the demonstration were to achieve 1e-9 mean contrast over a semi-annular field of view from 2 λ/D to 8 λ/D, first with monochromatic light at 650nm, and then over a 10% spectral bandwidth. In addition, the measurement of jitter and its effect on PIAACMC performance will be discussed. As the success of electric field conjugation (EFC) to achieve best contrast on the testbed is dependent upon a diffraction model of the coronagraph, we will also discuss variations of the testbed and its diffraction model with the PIAACMC design, including suspected sources of knowledge error in the EFC diffraction model.

Wilson, Daniel↗
DOE OSTI2023

Determination of single crystal thermal expansion in Uranium-6wt%Niobium shape memory alloy using in-situ diffraction and modeling of textured polycrystalline samples

In-situ neutron diffraction and ex-situ dilatometry experiments were performed on a chemically banded, quenched uranium-6wt% niobium shape memory alloy to study the impact of deformation-(detwinning-) induced texture on the evolution of thermally induced strains (and associated stresses). Thermal heating and cooling cycles between 5K and 473K were performed in-situ with neutron diffraction, and the lattice strain evolution is reported for the observed monoclinic α" phase. Comparisons between the measured diffraction strains and macroscopic dilatometry experiments reveal relationships between micro- and macro-level thermal expansion. Softening of the texture during heating suggests that twin boundary motion can accommodate the large internal thermal strains which are approximately 2% greater than that typically observed during the 175K heating interval used to age more randomly oriented polycrystalline material. Assuming weak constraint of neighboring grains in randomly textured polycrystals, the single crystal thermal expansion tensor is extracted from measurements of lattice strains over the range 5K to 473K. Predictions of polycrystalline thermal expansion, based upon this single crystal thermal expansion tensor, are shown to compare favorably with bulk thermal expansion observations of the as quenched microstructure. However, such a lower-bound estimate is insufficient to explain all aspects of the behavior of the textured material, where the matrix is not isotropic. In conclusion, it is hypothesized that relaxation processes which occur within the quenched microstructure during heating are responsible for the distinct thermal expansion behavior observed during the initial heating cycle compared to cooling and subsequent cycling.

36 MATERIALS SCIENCE↗
DOE OSTI2021

H-Atom Assignment and Sb–O Bonding of [Mes 3 SbOH][O 3 SPh] Confirmed by Neutron Diffraction, Multipole Modeling, and Hirshfeld Atom Refinement

Neutron wavelength-resolved Laue diffraction experiments permit accurate refinement of the H-atom positions and anisotropic displacement parameters of [Mes 3 SbOH][O 3 SPh]. A multipole-based charge density refinement and a topological analysis of the refined electron density were also performed. Hirshfeld atom refinement (HAR) recovers the neutron-determined H-atom parameters, and the quantum-mechanical electron density used in HAR recovers the electron density topology from the refined multipole model. We report these results confirm that [Mes 3 SbOH][O 3 SPh] does indeed feature a hydroxystibonium cation with a nominal Sb–O single bond and not a stibine oxide with an Sb=O/Sb + –O – bond.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1993

Mathmatical modeling for diffractive optics

We consider a 'diffractive optic' to be a biperiodic surface separating two half-spaces, each having constant constitutive parameters; within a unit cell of the periodic surface and across the transition zone between the two half-spaces, the constitutive parameters can be a continuous, complex-valued function. Mathematical models for diffractive optics have been developed, and implemented as numerical codes, both for the 'direct' problem and for the 'inverse' problem. In problems of the 'direct' class, the diffractive optic is specified, and the full set of Maxwell's equations is cast in a variational form and solved numerically by a finite element approach. This approach is well-posed in the sense that existence and uniqueness of the solution can be proved and specific convergence conditions can be derived. An example of a metallic grating at a Wood anomaly is presented as a case where other approaches are known to have convergence problems. In problems of the 'inverse' class, some information about the diffracted field (e.g., the far-field intensity) is given, and the problem is to find the periodic structure in some optimal sense. Two approaches are described: phase reconstruction in the far-field approximation; and relaxed optimal design based on the Helmholtz equation. Practical examples are discussed for each approach to the inverse problem, including array generators in the far-field case and antireflective structures for the relaxed optimal design.

Dobson, David↗
DOE OSTI2022

Residual Stress Modeling and Advanced Diffraction Measurements of 347H Steel Weldments

The 347H stainless steel is a primary high-temperature material for many energy and power generation industries. Stress relief cracking (SRC) has been a particular concern in welding of this material. The residual stress induced by welding and its evolution during post-welding heat treatment (PWHT) and subsequent operating and service conditions is one of the primary factors contributing to SRC. The lifetime of welded structure components is also controlled by the precipitation kinetics that accompanies PWHT, stress relaxation process, and long-term aging and complex synergistic factors. Various theories have been proposed in the past to explain SRC. However, a widely accepted approach to predicting the entire damage evolution and the resulting performance reduction is still lacking. This study is to demonstrate a reliable solution for two critical issues that affect the predictions. First, the residual stress distribution obtained from both simulation and neutron diffraction is compared, which increases the accuracy of mechanical analysis simulation model and therefore builds a solid basis for the lifetime prediction model. Second, the generation, evolution, and annihilation of precipitates are monitored by the synchrotron diffraction experiment. Preliminary results demonstrate the critical importance of precipitation kinetics on the residual stress distribution/redistribution during heat treatments.

Yang, Yi↗