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At least 289 records · Page 16

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NASA NTRS2006

Broadband Performance of TPF's High-contrast Imaging Testbed: Modeling and Simulations

The broadband performance of the high-contrast imaging testbed (HCIT) at JPL is investigated through optical modeling and simulations. The analytical tool is an optical simulation algorithm developed by combining the HCIT's optical model with a speckle-nulling algorithm that operates directly on coronagraphic images, an algorithm identical to the one currently being used on the HCIT to actively suppress scattered light via a deformable mirror. It is capable of performing full three-dimensional end-to-end near-field diffraction analysis on the HCIT's optical system. By conducting speckle-nulling optimization, we clarify the HCIT's capability and limitations in terms of its broadband contrast performance under various realistic conditions. Considered cases include non-ideal occulting masks, such as a mask with optical density and wavelength dependent parasitic phase-delay errors (i.e., a not band-limited occulting mask) and the one with an optical-density profile corresponding to a measured, non-standard profile, as well as the independently measured phase errors of all optics. Most of the information gathered on the HCIT's optical components through measurement and characterization over the last several years at JPL has been used in this analysis to make the predictions as accurate as possible. The best contrast values predicted so far by our simulations obtainable on the HCIT illuminated with a broadband light having a bandwidth of 80nm and centered at 800nm wavelength are Cm=1.1x10-8 (mean) and C4=4.9x10-8 (at 4(lamda)/D), respectively. In this paper we report our preliminary findings about the broadband light performance of the HCIT.

integrated modeling↗

DOE OSTI2024

Double-walled containment cell

Double-walled containment cells are described as may be used for storage, transport, and examination of a sample held within the cell by use of optical analysis techniques. A double-walled containment cell can include multiple types of windows that can be located as desired on the containment cells and thereby provide for optical access to a sample for multiple optical analysis techniques. Disclosed containment cells can be sized and designed for use with existing optical analysis systems, e.g., laser ablation, X-ray diffraction, spectral analysis (e.g., Raman spectroscopy, infrared spectroscopy, laser-induced breakdown spectroscopy, etc.), imaging analysis, etc.

Villa-Aleman, Eliel↗

NASA NTRS1991

A real time interferometry system for unsteady flow measurements

A simple real-time interferometer system was developed for use in dynamic stall and other unsteady flow research at compressible flow speeds. A conventional schlieren system was modified to operate as a point diffraction interferometer. The implementation of this interferometer is discussed, and results of trials with different point diffractors are presented in this paper. The performance of the interferometer under various flow conditions was investigated. Results are presented which show the effects of the interferometer parameters such as pinhole size and pinhole-plate optical density on the performance of the system.

Brock, N. J.↗

NASA NTRS1992

A new-speckle interferometry system for the MAMA detector

We have developed a new system for making speckle observations with the multianode microchannel array (MAMA) detector. This system is a true photon-counting imaging device which records the arrival time of every detected photon and allows for reconstruction of image features near the diffraction limit of the telescope. We present a description of the system and summary of observational results obtained at the Lick Observatory 1-m reflector in 1991 September. The diffraction limit of the 1-m telescope at 5029 A is about 0.125 arcsec and we have successfully resolved the catalogued interferometric binary HD 202582 with a separation of 0.157 +/- 0.031 arcsec. A pair of stars in the open cluster Chi Persei separated by 2.65 +/- 0.22 arcsec with approximate V magnitudes 8.6 and 11.5 has also been successfully analyzed with the speckle technique.

Horch, E.↗

NASA NTRS1992

Combining ray-trace and diffraction analysis: A design example

An example is presented of using a combined ray trace and diffraction modeling code to simulate effects of objective-lens tilt in an optical data storage device. In some cases, neither ray-trace analysis nor diffraction analysis can give an adequate description of an optical system. The designer that is faced with the problem of analyzing such a system is forced to use a ray-trace program to determine aberrations in the exit pupil and then introduce aberration coefficients into a diffraction model that simulate the propagation. This approach was found rather awkward, especially if complicated aberrations are present. Our approach is to integrate a diffraction analysis and a ray-trace description of an optical path into one program. Our design is taken from a data storage application, where we must analyze the effects of objective-lens tilt.

Milster, Tom D.↗

DOE OSTI2024

Tracking dissociation pathways of nitrobenzene via mega-electron-volt ultrafast electron diffraction

As the simplest nitroaromatic compound, nitrobenzene is an interesting model system to explore the rich photochemistry of nitroaromatic compounds. Previous investigations of nitrobenzene's photochemical dynamics have probed structural and electronic properties. These investigations paint, at times, a convoluted and sometimes contradictory description of the photochemical landscape. Here, we investigate the ultrafast dynamics of nitrobenzene triggered by photoexcitation at 267 nm for the first time using a structural probe with femtosecond time resolution. Our probe complements previous measurements of nitrobenzene's electronic structure evolution and aids in determining the photochemical dynamics with less ambiguity. We employ megaelectronvolt ultrafast electron diffraction to follow nitrobenzene's structural evolution within the first 5 ps after photoexcitation. We observe ground state recovery within 160 ± 60 fs through nonadiabatic dynamics. Based on comparisons of the experimental signal with molecular dynamics simulations, we exclude a significant population of the triplet manifold. Furthermore, we do not observe fragmentation of nitrobenzene within the investigated time window, which indicates that previously observed photofragmentation reactions take place in the vibrationally 'hot' ground state on timescales considerably beyond 5 ps.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Hierarchical Self‐Assembly of Multidimensional Functional Materials from Sequence‐Defined Peptoids

Abstract Hierarchical self‐assembly represents a powerful strategy for the fabrication of functional materials across various length scales. However, achieving precise formation of functional hierarchical assemblies remains a significant challenge and requires a profound understanding of molecular assembly interactions. In this study, we present a molecular‐level understanding of the hierarchical assembly of sequence‐defined peptoids into multidimensional functional materials, including twisted nanotube bundles serving as a highly efficient artificial light harvesting system. By employing synchrotron‐based powder X‐ray diffraction and analyzing single crystal structures of model compounds, we elucidated the molecular packing and mechanisms underlying the assembly of peptoids into multidimensional nanostructures. Our findings demonstrate that incorporating aromatic functional groups, such as tetraphenyl ethylene (TPE), at the termini of assembling peptoid sequences promotes the formation of twisted bundles of nanotubes and nanosheets, thus enabling the creation of a highly efficient artificial light harvesting system. This research exemplifies the potential of leveraging sequence‐defined synthetic polymers to translate microscopic molecular structures into macroscopic assemblies. It holds promise for the development of functional materials with precisely controlled hierarchical structures and designed functions.

Shao, Li↗

DOE OSTI2024

Hierarchical Self‐Assembly of Multidimensional Functional Materials from Sequence‐Defined Peptoids

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

Neuromorphic Information Processing by Optical Media

Classification of features in a scene typically requires conversion of the incoming photonic field int the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ x 100λ with aperture density λ -2 achieve ~96% testing accuracy on the MNIST dataset, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

47 OTHER INSTRUMENTATION↗

DOE OSTI2021

Co-Design of Free-Space Metasurface Optical Neuromorphic Classifiers for High Performance

Classification of features in a scene typically requires conversion of the incoming photonic field into the electronic domain. Recently, an alternative approach has emerged whereby passive structured materials can perform classification tasks by directly using free-space propagation and diffraction of light. In this manuscript, we present a theoretical and computational study of such systems and establish the basic features that govern their performance. We show that system architecture, material structure, and input light field are intertwined and need to be co-designed to maximize classification accuracy. Our simulations show that a single layer metasurface can achieve classification accuracy better than conventional linear classifiers, with an order of magnitude fewer diffractive features than previously reported. For a wavelength λ, single layer metasurfaces of size 100λ × 100λ with an aperture density λ –2 achieve ~96% testing accuracy on the MNIST data set, for an optimized distance ~100λ to the output plane. This is enabled by an intrinsic nonlinearity in photodetection, despite the use of linear optical metamaterials. Furthermore, we find that once the system is optimized, the number of diffractive features is the main determinant of classification performance. The slow asymptotic scaling with the number of apertures suggests a reason why such systems may benefit from multiple layer designs. Finally, we show a trade-off between the number of apertures and fabrication noise.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1993

A prediction model of signal degradation in LMSS for urban areas

A prediction model of signal degradation in a Land Mobile Satellite Service (LMSS) for urban areas is proposed. This model treats shadowing effects caused by buildings statistically and can predict a Cumulative Distribution Function (CDF) of signal diffraction losses in urban areas as a function of system parameters such as frequency and elevation angle and environmental parameters such as number of building stories and so on. In order to examine the validity of the model, we compared the percentage of locations where diffraction losses were smaller than 6 dB obtained by the CDF with satellite visibility measured by a radiometer. As a result, it was found that this proposed model is useful for estimating the feasibility of providing LMSS in urban areas.

Matsudo, Takashi↗

NASA NTRS1972

Analysis of a dual-reflector antenna system using physical optics and digital computers

The application of physical-optics diffraction theory to a deployable dual-reflector geometry is discussed. The methods employed are not restricted to the Conical-Gregorian antenna, but apply in a general way to dual and even multiple reflector systems. Complex vector wave methods are used in the Fresnel and Fraunhofer regions of the reflectors. Field amplitude, phase, polarization data, and time average Poynting vectors are obtained via an IBM 360/91 digital computer. Focal region characteristics are plotted with the aid of a CalComp plotter. Comparison between the GSFC Huygens wavelet approach, JPL measurements, and JPL computer results based on the near field spherical wave expansion method are made wherever possible.

Schmidt, R. F.↗

DOE OSTI2025

DXRD : a user-friendly suite of two- and multiple-beam dynamical X-ray diffraction programs

The DXRD program suite consisting of a series of dynamical theory programs is introduced for computing dynamical X-ray diffraction from single crystals. Its interactive graphical user interfaces (GUIs) allow general users to make complicated calculations with minimal effort. It can calculate plane-wave Darwin curves of single crystals (or multiple crystals) for both the Bragg and Laue cases, including grazing-incidence diffraction and backward diffraction (with Bragg angles approaching 90°). It is also capable of simulating rocking curves for divergent incident X-ray beams with finite bandwidths. A unique feature of DXRD is that it provides a convenient GUI-based multiple-beam diffraction program that can accurately compute arbitrary N-beam diffraction of any geometry using a universal 4N × 4N matrix method. DXRD also provides a mapping program for plotting all the multiple-beam diffraction lines (monochromator glitches) in the azimuth–energy coordinate system. All these functions make DXRD a convenient and powerful software tool for designing crystal-based synchrotron/X-ray optics (monochromators, analyzers, polarizers, phase plates etc.) and for crystal characterization, X-ray spectroscopy and X-ray diffraction teaching.

Bragg reflection↗

NASA NTRS1993

HiRES - High Resolution Extreme Ultraviolet Spectroheliometer toroidal diffraction grating performance evaluation

The ray-tracing results presented characterize the theoretically achievable EUV performance of the HiRES instrument. The effects of optical system misalignment on spectrograph images, and the laboratory results for two f/15 toroidal diffraction gratings that employ a multianode microchannel array, are also presented. Interferometric studies of toroidal figure accuracy, as well as optical and electron microscopy investigations of surface quality, are discussed. While the current toroidal gratings are noted to furnish good imaging across a wide wavelength range, they exhibit excessive EUV scatter, as well as spectral ghosting.

Berger, Thomas E.↗

DOE OSTI2021

Combustion in the ZrF 4 -Mg-Si and ZrF 4 -Al-Si systems for preparation of zirconium silicides

The exothermic reactions in the ZrF 4 –Mg-Si and ZrF 4 -Al-Si systems are investigated by a fast temperature recording (thermocouple) technique, differential scanning calorimetry (DSC), and thermogravimetric analysis (TGA). A quenching method is used to arrest the combustion process and conduct a layer-by-layer analysis of the products by x-ray diffraction (XRD) and electron microscopy. Two seemingly similar reactive systems exhibited considerably different combustion characteristics, composition, and morphology. Based on these investigations, we propose and discuss phase formation mechanisms at the early stages for each system. Three different pathways involving the reaction of ZrF 4 with other reagents and the Mg 2 Si intermediate are identified to occur in the ZrF 4 –Mg-Si system. Contrary to the complex mechanism in the ZrF 4 –Mg-Si system, the early stage of the combustion process for the ZrF 4 -Al-Si system involves the interaction of ZrF 4 with Al-Si eutectic melt. The exothermic reaction between reduced solid Zr and Si melt is the primary heat-generating step for both systems in spite of substantial differences in the early stages of the reactions. The silicon content in the reactive mixtures governs the phase composition of products. The ZrSi 2 phase, with a high growth rate, forms first on the Zr particle surfaces and then grows by a reactive diffusion mechanism. The ZrSi 2+ Zr reaction produces silicon-lean phases (e.g., ZrSi) when the silicon supply is limited. The combustion temperature also has a considerable influence on the phase compositions of the products. High combustion temperature in the ZrF 4 +2Mg+Si mixture enables the formation of multiphase products (α-ZrSi and β-ZrSi), whereas the relatively lower temperatures in the 3ZrF 4 +4Al+3Si mixture yields a single-phase α-ZrSi. As a result, lower combustion temperatures also make the ZrF 4 -Al-Si system more advantageous for the preparation of zirconium silicides.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Mechanistic insight of KBiQ 2 (Q = S, Se) using panoramic synthesis towards synthesis-by-design

Solid-state synthesis has historically focused on reactants and end products; however, knowledge of reaction pathways, intermediate phases and their formation may provide mechanistic insight of solid-state reactions. With an increased understanding of reaction progressions, design principles can be deduced, affording more predictive power in materials synthesis. In pursuit of this goal, in situ powder X-ray diffraction is employed to observe crystalline phase evolution over the course of the reaction, thereby constructing a “panoramic” view of the reaction from beginning to end. We conducted in situ diffraction studies in the K–Bi–Q (Q = S, Se) system to understand the formation of phases occurring in this system in the course of their reactions. Powder mixtures of K 2 Q to Bi 2 Q 3 in 1:1 and 1.5:1 ratios were heated to 800 °C or 650 °C, while simultaneously collecting diffraction data. Three new phases, K 3 BiS 3 , β-KBiS 2 , and β-KBiSe 2 , were discovered. Panoramic synthesis showed that K 3 BiQ 3 serves an important mechanistic role as a structural intermediate in both chalcogen systems (Q = S, Se) in the path to form the KBiQ 2 structure. Thermal analysis and calculations at the density functional theory (DFT) level show that the cation-ordered β-KBiQ 2 polymorphs are the thermodynamically stable phase in this compositional space, while Pair Distribution Function (PDF) analysis shows that all α-KBiQ 2 structures have local disorder due to stereochemically active lone pair expression of the bismuth atoms. The formation of the β-KBiQ 2 structures, both of which crystallize in the α-NaFeO 2 structure type, show a boundary where the structure can be disordered or ordered with regards to the alkali metal and bismuth. A cation radius tolerance for six-coordinate cation site sharing of ($\frac{r^+}{r^{3+}}$) ~ 1.3 is proposed. The mechanistic insight the panoramic synthesis technique provides in the K–Bi–Q system is progress towards the overarching goal of synthesis-by-design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1987

Passive isolation/damping system for the Hubble space telescope reaction wheels

NASA's Hubble Space Telescope contain large, diffraction limited optics with extraordinary resolution and performance for surpassing existing observatories. The need to reduce structural borne vibration and resultant optical jitter from critical Pointing Control System components, Reaction Wheels, prompted the feasibility investigation and eventual development of a passive isolation system. Alternative design concepts considered were required to meet a host of stringent specifications and pass rigid tests to be successfully verified and integrated into the already built flight vehicle. The final design employs multiple arrays of fluid damped springs that attenuate over a wide spectrum, while confining newly introduced resonances to benign regions of vehicle dynamic response. Overall jitter improvement of roughly a factor of 2 to 3 is attained with this system. The basis, evolution, and performance of the isolation system, specifically discussing design concepts considered, optimization studies, development lessons learned, innovative features, and analytical and ground test verified results are presented.

Hasha, Martin D.↗

DOE OSTI2026

Machine learning approaches for crystallographic classification from synthetic 2D X-ray diffraction data

Crystallographic structure identification is crucial for understanding material properties; however, current methodologies often depend on labor-intensive and time-consuming analyses of 2D X-ray diffraction (XRD) patterns. To address these limitations, this study employs synthetic 2D XRD patterns combined with deep learning (DL) techniques to enable automated and high-throughput classification of the seven crystal systems and 230 space groups. We introduce the novel Auto Diffraction Pipeline, designed to generate synthetic 2D XRD spot patterns from crystallographic information files under diverse conditions, including varying zone axes, atomic substitution, atomic depletion and mechanical loading. These conditions enhance the realism of synthetic data, mitigating the scarcity of experimental datasets and enabling the creation of large representative training sets. Convolutional neural networks were trained and validated on these synthetic datasets to classify crystallographic structures across multiple scenarios. Our results demonstrate that integrating synthetic 2D XRD patterns with DL facilitates rapid, accurate and automated crystallographic classification, promoting the wider adoption of data-driven approaches in materials science.

Shahnazari, Ayoub [Univ. of Rochester, NY (United ↗