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DOE OSTI2022

2022 AI Testbed Expeditions Report

By exploiting the coherent properties of a light source, coherent diffraction imaging (CDI) is able to obtain the sample image at a nanoscale resolution using the measured diffraction pattern. Bragg Coherent Diffraction Imaging (BCDI) has become valuable for recovering the displacement and strain field of crystals, providing a valuable tool in material science and solid-state physics. X-ray ptychography is another emerging CDI technique that can produce a high-resolution image of the extended sample and has become popular in many research areas (e.g., materials science, biology, electronics, and optics characterization). CDI including BCDI and ptychography has become an established technique in Synchrotron Facilities including the Advanced Photon Source (APS) and will greatly benefit from the 100x coherent flux increase of the upcoming APS Upgrade (APSU). The current image formation process in CDI employs iterative phase retrieval algorithms, which is a time-consuming and computationally expensive process. Especially after APSU, the traditional iterative methods will not be able to match the experimental data acquisition speed. We employ deep learning (DL) approach to replace the iterative approaches, therefore allowing hundreds of times faster recovery of the object. We developed AutoPhaseNN, a DL-based approach which learns to solve the inverse problem without labeled data. Taking 3D BCDI as a representative technique, AutoPhaseNN has been demonstrated to be one hundred times faster than traditional iterative phase retrieval methods while providing comparable image quality. The current network is trained with 64 x 64 x 64 data size, to achieve higher resolution imaging, we will need to scale the network to input and train/infer 3D arrays of size 256 x 256 x 256 (today) and of size 2560x2560x2560 (APSU). However, the scalability of the network is restricted due to the memory-intensive training process. To perform the training for a 256 x 256 x 256 data size, the required memory exceeds the capacity of the current machine. In this project, we explore using Sambanova system to train the network for the direct data inversion for CDI.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Absorbing Boundary Conditions For Optical Pulses In Dispersive, Nonlinear Materials

This paper will present results in computational nonlinear optics. An algorithm will be described that provides absorbing boundary conditions for optical pulses in dispersive, nonlinear materials. A new numerical absorber at the boundaries has been developed that is responsive to the spectral content of the pulse. Also, results will be shown of calculations of 2-D electromagnetic nonlinear waves computed by directly integrating in time the nonlinear vector Maxwell's equations. The results will include simulations of "light bullet" like pulses. Here diffraction and dispersion will be counteracted by nonlinear effects. Comparisons will be shown of calculations that use the standard boundary conditions and the new ones.

Goorjian, Peter M.↗

DOE OSTI2022

Development of green-colour-emitting pyrotechnics as a core for 3D temperature imaging sensors inside coal boilers

Efficiency in the control operation of the boilers for coal and coal with biomass can be further improved if the flue gas temperature distribution can be better characterized. This is very difficult in these harsh environmental systems, where spatially resolved measurements are nearly impossible with solid-state sensors. Here, in this work, we evaluate the development of pyrotechnic compounds that would serve as the basis for a novel optical mapping of the temperature inside coal boilers. For this purpose, various green-colour-emitting pyrotechnics using BaCl 2 · 2H 2 O and Ba(NO 3 ) 2 as the green light source were prepared, as this colour offers a distinct signal from the combustion-based background in the boiler. These pyrotechnics were characterized using thermogravimetric analysis (TGA) and X-ray diffraction (XRD) and tested using a flat-flame burner. Furthermore, the composition was varied to evaluate the effect of different metal fuels such as Sn, Co, and Mg, as well as various binders such as ethylcellulose, shellac, parlon, and PVC on green light emission. The emission intensity and the apparent ignition temperature were strongly dependent on the metal type, with Mg showing higher intensities. On the other hand, the effect of the binder showed that the ignition behaviour, emission intensity, and spectral purity were influenced by the nature and exothermicity of the binder. The addition of other potential green light-producing materials, such as boric acid, increased the intensity of emission by 17% for a BaCl 2 · 2H 2 O-based composition. This study identified prospective compositions with intense and bright green-colour emissions that have high spectral purities.

42 ENGINEERING↗

DOE OSTI2025

Scalable freeform optimization of wide-aperture 3D metalenses by zoned discrete axisymmetry

We introduce a novel framework for design and optimization of 3D freeform metalenses that attains nearly linear scaling of computational cost with diameter, by breaking the lens into a sequence of radial “zones” with 𝑛-fold discrete axisymmetry, where 𝑛 increases with radius. This allows vastly more design freedom than imposing continuous axisymmetry, while avoiding the compromises of the locally periodic approximation (LPA) or scalar diffraction theory. Using a GPU-accelerated finite-difference time-domain (FDTD) solver in cylindrical coordinates, we perform full-wave simulation and topology optimization within each supra-wavelength zone. We validate our approach by designing millimeter and centimeter-scale, poly-achromatic, 3D freeform metalenses which outperform the state of the art. By demonstrating the scalability and resulting optical performance enabled by our “zoned discrete axisymmetry” (ZDA) and supra-wavelength domain decomposition, we highlight the potential of our framework to advance large-scale meta-optics and next-generation photonic technologies.

Sun, Mengdi [Wesleyan University]↗

DOE OSTI2021

Interface and optical properties of Zn 1-x Mg x O films with Mg content of more than 70% grown on the (1$\bar{2}$10)-ZnO substrates

Fabricating Zn 1-x MgxO films with a high Mg content is key to their applications in deep-ultraviolet optoelectronic devices. In this work, we report the preparation of Zn1-xMgxO films on ($1\bar{2}10$)-ZnO substrates by molecular beam epitaxy. The Zn 1-x Mg x O/($1\bar{2}10$)-ZnO structure is revealed by x-ray diffraction and high-resolution transmission electron microscopy. Remarkably, no cubic MgO is observed for films with 74.6% Mg content; the film shows mainly the wurtzite structure with some intermediate phases at the interface. Photoluminescence spectra show that the film exhibits good optoelectronic properties with a bandgap of 4.6 eV. This work provides a new avenue for the fabrication of deep-ultraviolet Zn 1-x Mg x O films.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2026

Design of a broadband, high-power, off-axis spiral polarization reflector

Spirally polarized beams are known to produce a strong longitudinal field under high numerical aperture focusing. Here, we report on the design of a reflective optical element with an off-axis geometry that is capable of transforming a uniformly polarized beam into a predominantly spirally polarized beam. By utilizing the retardance present in Fresnel reflection, our device can operate over a broad range of wavelengths. The output polarization and intensity structure of a beam passing through the reflector are calculated using polarization and scalar ray tracing. Vector diffraction is used to calculate the polarization and intensity structure under $f/0.656$ focusing. The off-axis reflective design is well-suited for high-power laser applications and could enable current and future laser-based particle accelerators to achieve strong longitudinal fields at focus.

Black, A. Nicholas [Univ. of Rochester, NY (United↗

NASA NTRS1982

Plans for a large deployable reflector for submillimeter and infrared astronomy from space

Continuing plans for a large deployable reflector (LDR), conceived as a 10- to 30-m-diameter clear-aperture telescope, operating at wavelengths from 1000 microns to a diffraction-limited 30 microns, and to be placed in orbit for a life of 10 years by the Space Shuttle, are discussed. The primary reflector will be composed of a number of closely packed hexagonal segments of glass or lightweight composite material and attached to a truss integrating structure through position actuators providing three degrees of freedom for each segment. Technical aspects of optical design, surface measurement systems, deployment, and detectors are discussed, as are practical and fiscal limitations.

Swanson, P. N.↗

NASA NTRS1992

Real-time VanderLugt optical correlator that uses photorefractive GaAs

A real-time GaAs and liquid-crystal television- (LCTV-) based optical correlator is demonstrated. The speed of this correlator (video rate) is limited by the LCTV's; with faster spatial light modulators, the potential speed of a GaAs-based correlator may be 1000 frames/s or higher. Comparisons are made between VanderLugt and joint transform configurations and between degenerate and nondegenerate four-wave mixings. The edge-enhancement effect and the Bragg diffraction effect are also discussed.

Liu, Duncan T. H.↗

NASA NTRS2005

A SAFIR Mission Concept

The development of a large far-infrared telescope in space has taken on a new urgency with the recognition of the fundamental importance of the far-infrared spectral region to questions ranging from cosmology to our own Solar System. The Single Aperture Far-InfraRed (SAFIR) Observatory is a l0m-class far-infrared observatory that would begin development later in this decade to answer these questions. SAFIR's science goals are driven by the fact that youngest stages of almost all phenomena in the universe are shrouded in absorption by and emission from cool dust that emits strongly in the far- infrared, 20 microns - 1 millimeter. Its operating temperature of 4 K and its capable instrument complement would be optimized to reach the natural sky background limit in the far-infrared with diffraction-limited performance down to around 40 microns. This would provide a point source sensitivity improvement of several orders of magnitude over that of SIRTF. Based on a broad set of science requirements, we have developed a conceptual design for the SAFIR observatory using design heritage from the James Webb Space Telescope. Several enabling technologies requiring development have been identified, including lightweight deployable optics, cryogenic cooling of optical elements and instruments, and large arrays of sensitive detectors.

Benford, Dominic J.↗

NASA NTRS2017

Rapid Generation of Large Dimension Photon Sieve Designs

A photon sieve is a revolutionary optical instrument that provides high resolution imaging at a fraction of the weight of typical telescopes (areal density of 0.3 kg/m2 compared to 25 kg/m2 for the James Webb Space Telescope). The photon sieve is a variation of a Fresnel Zone Plate consisting of many small holes spread out in a ring-like pattern, which focuses light of a specific wavelength by diffraction. The team at NASA Langley Research Center has produced a variety of small photon sieves for testing. However, it is necessary to increase both the scale and rate of production, as a single sieve previously took multiple weeks to design and fabricate. This report details the different methods used in producing photon sieve designs in two file formats: CIF and DXF. The difference between these methods, and the two file formats were compared, to determine the most efficient design process. Finally, a step-by-step sieve design and fabrication process was described. The design files can be generated in both formats using an editing tool such as Microsoft Excel. However, an approach using a MATLAB program reduced the computing time of the designs and increased the ability of the user to generate large photon sieve designs. Although the CIF generation process was deemed the most efficient, the design techniques for both file types have been proven to generate complete photon sieves that can be used for scientific applications

Hariharan, Shravan↗

DOE OSTI2021

Ferroelectrics everywhere: Ferroelectricity in magnesium substituted zinc oxide thin films

We demonstrate ferroelectricity in Mg-substituted ZnO thin films with the wurtzite structure. Zn 1–x Mg x O films are grown by dual-cathode reactive magnetron sputtering on (111)-Pt // (0001)-Al 2 O 3 substrates at temperatures ranging from 26 to 200 °C for compositions spanning from x = 0 to x = 0.37. X-ray diffraction indicates a decrease in the c-lattice parameter and an increase in the a-lattice parameter with increasing Mg content, resulting in a nearly constant c/a axial ratio of 1.595 over this composition range. Transmission electron microscopy studies show abrupt interfaces between Zn 1–x Mg x O films and the Pt electrode. When prepared at pO 2 = 0.025, film surfaces are populated by abnormally oriented grains as measured by atomic force microscopy for Mg concentrations >29%. Raising pO 2 to 0.25 eliminates the misoriented grains. Optical measurements show increasing bandgap values with increasing Mg content. When prepared on a 200 °C substrate, films display ferroelectric switching with remanent polarizations exceeding 100 μC cm –2 and coercive fields below 3 MVcm –1 when the Mg content is between ~30% and ~7%. Substrate temperature can be lowered to ambient conditions, and when doing so, capacitor stacks show only minor sacrifices to crystal orientation and nearly identical remanent polarization values; however, coercive fields drop below 2 MV/cm. Using ambient temperature deposition, we demonstrate ferroelectric capacitor stacks integrated directly with polymer substrate surfaces.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Cryogenic optical systems and instruments II; Proceedings of the Meeting, Los Angeles, CA, Jan. 23, 24, 1986

The topics of the present conference encompass cryogenic optical system design considerations, cryogenic instruments and their components, the design and performance of cryogenic dewars for space, and technologies supporting cryogenic systems and instruments. Attention is given to the Space IR Telescope Facility (SIRTF) observatory's design and on-orbit servicing, hardware development for the Gravity Probe-B program, the multiband imaging photometer aboard SIRTF, and the SIRTF wide field, diffraction-limited array camera. Also discussed are the cryogenic star-tracking telescope for Gravity Probe-B, a balloon-borne spectrometer for measurement of lower stratospheric trace constituents, the primary mirror support system design for a cryogenic space telescope, and the SQUID readout and ultralow magnetic fields of Gravity Probe-B.

Melugin, Ramsey K.↗

NASA NTRS1992

Design and analysis of a fast, two-mirror soft-x-ray microscope

During the past several years, a number of investigators have addressed the design, analysis, fabrication, and testing of spherical Schwarzschild microscopes for soft-x-ray applications using multilayer coatings. Some of these systems have demonstrated diffraction limited resolution for small numerical apertures. Rigorously aplanatic, two-aspherical mirror Head microscopes can provide near diffraction limited resolution for very large numerical apertures. The relationships between the numerical aperture, mirror radii and diameters, magnifications, and total system length for Schwarzschild microscope configurations are summarized. Also, an analysis of the characteristics of the Head-Schwarzschild surfaces will be reported. The numerical surface data predicted by the Head equations were fit by a variety of functions and analyzed by conventional optical design codes. Efforts have been made to determine whether current optical substrate and multilayer coating technologies will permit construction of a very fast Head microscope which can provide resolution approaching that of the wavelength of the incident radiation.

Shealy, D. L.↗

DOE OSTI2026

Fast and bright scintillators for ultrafast materials dynamics using 4th generation synchrotron

We present recent advances in fast and bright scintillators for ultrafast X-ray phase contrast imaging of dynamic materials experiments at the upgraded Advanced Photon Source (APS-U), a fourth generation synchrotron. APS-U enables hard X-ray imaging at frame rates of at least 13 MHz (corresponding to 77 ns or shorter interframe intervals), creating a new need for scintillators with faster response and higher light output than lutetium yttrium oxyorthosilicate (LYSO). For indirect imaging and diffraction with ultrafast cameras, commercial lanthanum bromide (LaBr3) and cerium bromide (CeBr3) are promising candidates. These materials exhibit decay times approximately a factor of two shorter than LYSO (around 40 ns) and lutetium oxyorthosilicate (LSO), while maintaining comparable light yield per incident X-ray photon. However, their implementation at APS-U requires addressing several challenges, including material limitations due to hygroscopicity, efficient optical coupling to imaging systems, and high quantum efficiency for conversion of scintillation light, predominantly at wavelengths below 400 nm, into detectable electronic signals. We report results from material characterization, detector integration and packaging, and beamline experiments of materials with impact. In addition, emerging scintillator classes, including perovskites and high-entropy materials, are discussed as potential alternatives for next-generation ultrafast X-ray diagnostics.

Wang, Zhehui [Los Alamos] (ORCID:0000000178264063)↗

NASA NTRS1994

Optical Analysis of an Ultra-High resolution Two-Mirror Soft X-Ray Microscope

This work has summarized for a Schwarzschild microscope some relationships between numerical aperture (NA), magnification, diameter of the primary mirror, radius of curvature of the secondary mirror, and the total length of the microscope. To achieve resolutions better than a spherical Schwarzschild microscope of 3.3 Lambda for a perfectly aligned and fabricated system. it is necessary to use aspherical surfaces to control higher-order aberrations. For an NA of 0.35, the aspherical Head microscope provides diffraction limited resolution of 1.4 Lambda where the aspherical surfaces differ from the best fit spherical surface by approximately 1 micrometer. However, the angle of incidence varies significantly over the primary and the secondary mirrors, which will require graded multilayer coatings to operate near peak reflectivities. For higher numerical apertures, the variation of the angle of incidence over the secondary mirror surface becomes a serious problem which must be solved before multilayer coatings can be used for this application. Tolerance analysis of the spherical Schwarzschild microscope has shown that water window operations will require 2-3 times tighter tolerances to achieve a similar performance for operations with 130 A radiation. Surface contour errors have been shown to have a significant impact on the MTF and must be controlled to a peak-to-valley variation of 50-100 A and a frequency of 8 periods over the surface of a mirror.

Shealy, David L.↗

DOE OSTI2020

Point and extended defects in heteroepitaxial 𝛽−G⁡a 2 ⁢O 3 films

G⁡a 2 ⁢O 3 is emerging as an excellent potential semiconductor for high power and optoelectronic devices. However, the successful development of G⁡a 2⁢ O 3 in a wide range of applications requires a full understanding of the role and nature of its point and extended defects. Here, in this work, high quality epitaxial G⁡a 2 ⁢O 3 films were grown on sapphire substrates by metal-organic chemical vapor deposition and fully characterized in terms of structural, optical, and electrical properties. Then defects in the films were investigated by a combination of depth-resolved Doppler broadening and lifetime of positron annihilation spectroscopies and thermally stimulated emission (TSE). Positron annihilation techniques can provide information about the nature and concentration of defects in the films, while TSE reveals the energy level of defects in the bandgap. Despite very good structural properties, the films exhibit short positron diffusion length, which is an indication of high defect density and long positron lifetime, a sign for the formation of Ga vacancy related defects and large vacancy clusters. These defects act as deep and shallow traps for charge carriers as revealed from TSE, which explains the reason behind the difficulty of developing conductive G⁡a 2 ⁢O 3 films on non-native substrates. Positron lifetime measurements also show nonuniform distribution of vacancy clusters throughout the film depth. Further, the work investigates the modification of defect nature and properties through thermal treatment in various environments. It demonstrates the sensitivity of G⁡a 2 ⁢O 3 microstructures to the growth and thermal treatment environments and the significant effect of modifying defect structure on the bandgap and optical and electrical properties of G⁡a 2 ⁢O 3 .

defects↗

DOE OSTI2024

Directing Charge Carriers and Ferroelectric Domains at Lateral Interfaces in van der Waals Heterostructures

Emergent phenomena in traditional ferroelectrics are frequently observed at heterointerfaces. Accessing such functionalities in van der Waals ferroelectrics requires the formation of layered heterostructures, either vertically stacked (similar to oxide ferroelectrics) or laterally stitched (without equivalent in 3D-crystals). Here, we investigate lateral heterostructures of the ferroelectric van der Waals semiconductors SnSe and SnS. A two-step process produces ultrathin crystals comprising an SnSe core laterally joined to an SnS edge-band, as confirmed by Raman spectroscopy, transmission electron microscopy (TEM) imaging, and electron diffraction. TEM shows a moiré pattern across the SnSe core due to coverage by an ultrathin SnS layer. The ability of the lateral interface (IF) to direct excited carriers, probed by cathodoluminescence, shows electron transfer over 560 nm diffusion length from the SnS edge-band. Large, thin flakes supporting ferroelectricity allow investigating domains and domain wall interactions in uniform crystals and lateral heterostructures. Polarized optical microscopy of sub-20 nm flakes consistently shows ⟨110⟩ oriented stripe domains with mirror-twin domain walls. Heterostructures adopt two domain configurations, with domains either constrained to the SnSe core or propagating across the entire SnSe–SnS flakes. Furthermore, the combined results demonstrate multifunctional van der Waals heterostructures with high-quality IFs presenting extraordinary opportunities for manipulating carrier flows and ferroelectric domain patterns.

2D ferroelectrics↗

DOE OSTI2020

Two-photon X-ray ghost microscope

This article presents a non-classical imaging mechanism that produces a diffraction-limited and magnified ghost image of the internal structure of an object through the measurement of intensity fluctuation correlation formed by two-photon interference. In principle, the lensless X-ray ghost imaging mechanism may achieve a spatial resolution determined by the wavelength and the angular diameter of the X-ray source, ∼ λ /Δ θ s , with possible reduction caused by additional optics. In addition, it has the ability to image select “slices” deep within an object, which can be used for constructing 3D view of its internal structure.

Smith, Thomas A. (ORCID:0000000275427047)↗