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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 1,585 records · Page 88

Implications of real-gas behavior on refractive index calculations for optical diagnostics of fuel–air mixing at high pressures

Three models to compute the refractive index of gaseous mixtures at real gas conditions are presented with the purpose to improve the accuracy of state relationships between refractive index and thermodynamic properties. Models are compared with experimental data to determine one that is applicable to high pressure mixtures with non-ideal thermodynamic behavior near or above a fluids’ critical point. The optimal model is applied to analyze adiabatic thermal mixing of fuel and air at typical diesel engine conditions. Our results show that the ideal gas mixture law is appropriate in the vapor region, assuming it is known, for example, from experimental measurements. Finally, the model is applied for binary fuel-air mixing at supercritical conditions to demonstrate its full potential.

02 PETROLEUM↗

Validation of process simulation workflow for thermosetting prepreg platelet molding compounds

Continuous carbon fiber prepreg slit and cut into rectangular platelets has proven to be a useful material for net shape molding of semi-structural and structural components in the aerospace and automotive industries. Furthermore, to assist the designer in use of these prepreg platelet molding compounds, sometimes called carbon fiber sheet molding compounds, simulation tools are required that can predict the as-manufactured fiber orientation state which has a significant impact on the resulting performance. Herein, an analysis workflow for design-enabling predictions is demonstrated for a double dome geometry with two different initial charge configurations. Here, the workflow is validated through comparison with experimental short shots, orientation state, and stiffness trends. Significantly, to complete the validation, a method is proposed for determining the confidence bounds on measured orientation state enhancing the results of optical microscopy which can only produce a small sample of platelet orientations.

36 MATERIALS SCIENCE↗

Simulating nonlinear optical processes on a superconducting quantum device

Simulating plasma physics on quantum computers is difficult because most problems of interest are nonlinear, but quantum computers are not naturally suitable for nonlinear operations. In weakly nonlinear regimes, plasma problems can be modelled as wave–wave interactions. In this paper, we develop a quantization approach to convert nonlinear wave–wave interaction problems to Hamiltonian simulation problems. We demonstrate our approach using two qubits on a superconducting device. Unlike a photonic device, a superconducting device does not naturally have the desired interactions in its native Hamiltonian. Nevertheless, Hamiltonian simulations can still be performed by decomposing required unitary operations into native gates. To improve experimental results, we employ a range of error-mitigation techniques. Apart from readout error mitigation, we use randomized compilation to transform undiagnosed coherent errors into well-behaved stochastic Pauli channels. Moreover, to compensate for stochastic noise, we rescale exponentially decaying probability amplitudes using rates measured from cycle benchmarking. We carefully consider how different choices of product-formula algorithms affect the overall error and show how a trade-off can be made to best utilize limited quantum resources. This study provides an example of how plasma problems may be solved on near-term quantum computing platforms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Combined High Spectral Resolution Lidar and Millimeter Wavelength Radar Measurement of Ice Crystal Precipitation

The goal of this research has been to improve measurements of snowfall using a combination of millimeter-wavelength radar and High Spectral Resolution Lidar (HSRL) Observations. Snowflakes are large compared to the 532nm HSRL wavelength and small compared to the 3.2 and 8.6 mm wavelength radars used in this study. This places the particles in the optical scattering regime of the HSRL, where extinction cross-section is proportional to the projected area of the particles, and in the Rayleigh regime for the radar, where the backscatter cross-section is proportional to the mass-squared of the particles. Forming a ratio of the radar measured cross-section to the HSRL measured cross section eliminates any dependence on the number of scattering particles, yielding a quantity proportional to the average mass-squared of the snowflakes over the average area of the flakes. Using simultaneous radar measurements of particle fall velocities, which are dependent particle mass and cross-sectional area it is possible to derive the average mass of the snow flakes, and with the radar measured fall velocities compute the snowfall rate. Since this retrieval requires the optical extinction cross-section we began by considering errors this quantity. The HSRL is particularly good at measuring the backscatter cross-section. In previous studies of snowfall in the high Arctic were able to estimate the extinction cross-section directly as a fixed ratio to the backscatter cross-section. Measurements acquired in the STORMVEX experiment in Colorado showed that this approach was not valid in mid-latitude snowfalls and that direct measurement of the extinction cross-section is required. Attempts to measure the extinction directly uncovered shortcomings in thermal regulation and mechanical stability of the newly deployed DOE HSRL systems. These problems were largely mitigated by modifications installed in both of the DOE systems. We also investigated other sources of error in the HSRL direct measurement of extinction (see appendix II of this report). We also developed improved algorithms to extract extinction from the HSRL data. These have been installed in the standard HSRL data processing software and are now available to all users of HSRL data. Validation of snowfall measurements has proven difficult due to the unreliability of conventional snowfall measurements coupled with the complexity of considering the vast variety of snowflake geometries. It was difficult to tell how well the algorithm’s approach to accommodating differences in snowflakes was working without good measurements for comparison. As a result, we decided to apply this approach to the somewhat simpler, but scientifically important, problem of drizzle measurement. Here the particle shape is known and the conventional measurement are more reliable. These algorithms where successfully applied to drizzle data acquired during the ARM MAGIC study of marine stratus clouds between California and Hawaii (see Appendix I). This technique is likely to become a powerful tool for studying lifetime of the climatically important marine stratus clouds.

47 OTHER INSTRUMENTATION↗

Optical devices - Lasers. A compilation

Laser applications in communications, industrial fabrication, and computer systems, and laser beam generation and control - technology utilization

Source record↗

Concentrator testing using projected images

The projected image system can be used to evaluate concentrator optical properties by comparing images reflected onto the ceiling of the test facility to theoretical facet outlines. This system was tested by comparing ceiling images to facet outlines computed using facet characteristics measured by the digital-image-radiometer (DIR) optical measuring system. The agreement was good, confirming the accuracy of both optical systems. Six facets were mounted in the centers of the pie sectors of one hexagonal panel. Differences between the facets and facet nonsymmetries were observed in photographs of the ceiling images of the facets.

Jefferies, Kent S.↗

GPU accelerated fully space and time resolved numerical simulations of self-focusing laser beams in SBS-active media

A computer cluster equipped with Graphics Processing Units (GPUs) is used for simulating nonlinear optical wave packets undergoing Kerr self-focusing and stimulated Brillouin scattering in fused silica. We first recall the model equations in full (3+1) dimensions. These consist of two coupled nonlinear Schrödinger equations for counterpropagating optical beams closed with a source equation for light-induced acoustic waves seeded by thermal noise. Compared with simulations on a conventional cluster of Central Processing Units (CPUs), GPU-based computations allow us to use a significant (16 times) larger number of mesh points within similar computation times. Reciprocally, simulations employing the same number of mesh points are between 3 and 20 times faster on GPUs than on the same number of classical CPUs. Performance speedups close to 45 are reported for isolated functions evaluating, e.g., the optical nonlinearities. Since the field intensities may reach the ionization threshold of silica, the action of a defocusing electron plasma is also addressed.

97 MATHEMATICS AND COMPUTING↗

Inorganic Halide Double Perovskites with Optoelectronic Properties Modulated by Sublattice Mixing

All-inorganic halide double perovskites have emerged as a promising class of materials that are potentially more stable and less toxic than lead-containing hybrid organic-inorganic perovskite optoelectronic materials. In this work, 311 cesium chloride double perovskites (Cs 2 BB'Cl 6 ) were selected from a set of 903 compounds as likely being stable on the basis of a statistically learned tolerance factor (t) for perovskite stability. First-principles calculations on these 311 double perovskites were then performed to assess their stability and identify candidates with band gaps appropriate for optoelectronic applications. We predict that 261 of the 311 Cs 2 BB'Cl 6 compounds are likely synthesizable on the basis of a thermodynamic analysis of their decomposition to competing compounds (decomposition enthalpy <0.05 eV/atom). Of these 261 likely synthesizable compounds, 47 contain no toxic elements and have direct or nearly direct (within 100 meV) band gaps between 1 and 3 eV, as computed with hybrid density functional theory (HSE06). Within this set, we identify the triple-alkali perovskites Cs 2 [Alk] + [TM] 3+ Cl 6 , where Alk is a group 1 alkali cation and TM is a transition-metal cation, as a class of Cs 2 BB'Cl 6 double perovskites with remarkable optical properties, including large and tunable exciton binding energies as computed by the GW-Bethe-Salpeter equation (GW-BSE) method. We attribute the unusual electronic structure of these compounds to the mixing of the Alk-Cl and TM-Cl sublattices, leading to materials with small band gaps, large exciton binding energies, and absorption spectra that are strongly influenced by the identity of the transition metal. The role of the double-perovskite structure in enabling these unique properties is probed through an analysis of the electronic structures and chemical bonding of these compounds in comparison with other transition-metal and alkali transition-metal halides.

14 SOLAR ENERGY↗

Combustion Processes in Hybrid Rocket Engines

In recent years, there has been a resurgence of interest in the development of hybrid rocket engines for advanced launch vehicle applications. Hybrid propulsion systems use a solid fuel such as hydroxyl-terminated polybutadiene (HTPB) along with a gaseous/liquid oxidizer. The performance of hybrid combustors depends on the convective and radiative heat fluxes to the fuel surface, the rate of pyrolysis in the solid phase, and the turbulent combustion processes in the gaseous phases. These processes in combination specify the regression rates of the fuel surface and thereby the utilization efficiency of the fuel. In this paper, we employ computational fluid dynamics (CFD) techniques in order to gain a quantitative understanding of the physical trends in hybrid rocket combustors. The computational modeling is tailored to ongoing experiments at Penn State that employ a two dimensional slab burner configuration. The coordinated computational/experimental effort enables model validation while providing an understanding of the experimental observations. Computations to date have included the full length geometry with and with the aft nozzle section as well as shorter length domains for extensive parametric characterization. HTPB is sed as the fuel with 1,3 butadiene being taken as the gaseous product of the pyrolysis. Pure gaseous oxygen is taken as the oxidizer. The fuel regression rate is specified using an Arrhenius rate reaction, which the fuel surface temperature is given by an energy balance involving gas-phase convection and radiation as well as thermal conduction in the solid-phase. For the gas-phase combustion, a two step global reaction is used. The standard kappa - epsilon model is used for turbulence closure. Radiation is presently treated using a simple diffusion approximation which is valid for large optical path lengths, representative of radiation from soot particles. Computational results are obtained to determine the trends in the fuel burning or regression rates as a function of the head-end oxidizer mass flux, G=rho(e)U(e), and the chamber pressure. Furthermore, computation of the full slab burner configuration has also been obtained for various stages of the burn. Comparisons with available experimental data from small scale tests conducted by General Dynamics-Thiokol-Rocketdyne suggest reasonable agreement in the predicted regression rates. Future work will include: (1) a model for soot generation in the flame for more quantitative radiative transfer modelling, (2) a parametric study of combustion efficiency, and (3) transient calculations to help determine the possible mechanisms responsible for combustion instability in hybrid rocket motors.

Venkateswaran,S.↗

HPE ultralit project (ARPA-E open program 2018) final report 15

The goal of the program was to build a fully integrated optical transceiver with >1 Tb/s and <1.5 pJ/bit operating at 50 ◦ C. Optical transceivers are critical components in high-performance-computers (HPC) and data centers, and the details of their implementation has a big impact on the total power consumption (energy efficiency) of an HPC system. Our proposed transceiver used three key enabling technologies. Firstly, SiGe avalanche photodetectors have record-low sensitivities, meaning that they can reach low bit error rates with very little light input. As a result, we can drive our lasers at a lower drive current, thus saving electrical power. Secondly, we use MOS-based capacitive tuning in our deinterleaver, modulator, and demultiplexer. Capacitive tuning allows for the tuning of photonic elements with zero static power consumption. Thirdly, we use quantum dots as the gain material in our light source. This allows us to efficiently use our light source at temperatures that are typically encountered in an HPCsystem. Our proposed optical transceiver consisted of a quantum dot comb laser as a light source, a booster SOA, MOS-based deinterleavers, MOS based ring modulators, MOS-based ring demultiplexers, and SiGe APDs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Star–Galaxy Image Separation with Computationally Efficient Gaussian Process Classification

Abstract We introduce a novel method for discerning optical telescope images of stars from those of galaxies using Gaussian processes (GPs). Although applications of GPs often struggle in high-dimensional data modalities such as optical image classification, we show that a low-dimensional embedding of images into a metric space defined by the principal components of the data suffices to produce high-quality predictions from real large-scale survey data. We develop a novel method of GP classification hyperparameter training that scales approximately linearly in the number of image observations, which allows for application of GP models to large-size Hyper Suprime-Cam Subaru Strategic Program data. In our experiments, we evaluate the performance of a principal component analysis embedded GP predictive model against other machine-learning algorithms, including a convolutional neural network and an image photometric morphology discriminator. Our analysis shows that our methods compare favorably with current methods in optical image classification while producing posterior distributions from the GP regression that can be used to quantify object classification uncertainty. We further describe how classification uncertainty can be used to efficiently parse large-scale survey imaging data to produce high-confidence object catalogs.

79 ASTRONOMY AND ASTROPHYSICS↗

Resonant Transmissive Modulator Construction for Use in Beam Steering Array

An agile electronically configurable optical beam steering device for use in directional free-space transmission of optical signals is described. The device design employs an array of tunable resonant transmissive modulators constructed from multi-layered stacks of electro-optically active dielectric materials. Each modulator may be individually configured to transmit an optical signal with a specific amount of phase and group velocity modulation. The resulting diffractive interactions between modulator outputs provide a method for directional optical signal transmission. Of particular focus within this presentation is the optimized design of the individual modulator. It is widely known that periodic multi-layered stacks of dielectric materials exhibit reflective and transmissive resonances as described by the stack's transmission function. If an electric field is applied normal to the stack's layers, phenomena such as the electro-optic effect and/or the quantum-confined Stark effect may be employed to change the effective refractive index within the stack. This refractive index change alters the stack's transmission function and modulates the phase and group velocity of the transmitted optical signal. By varying the parameters that describe the stack's specific construction and operation, such as number of layers within the stack, refractive indexes of stack materials, layer thicknesses, and combinations of periodic verses non-periodic layer repetitions, custom transmittance functions may be generated. The transmitted optical signal carrier frequency and bandwidth must be carefully selected to maximize transmission and to minimize absorption. A computational optimization of the variables describing the stack's construction strives to maximize the amount of optical signal modulation verses applied voltage. Trade-offs between methods of increasing device performance verses the limitations of fabrication technologies are considered.

Keys, Andrew S.↗

Raster-Based Approach to Solar Pressure Modeling

An algorithm has been developed to take advantage of the graphics processing hardware in modern computers to efficiently compute high-fidelity solar pressure forces and torques on spacecraft, taking into account the possibility of self-shading due to the articulation of spacecraft components such as solar arrays. The process is easily extended to compute other results that depend on three-dimensional attitude analysis, such as solar array power generation or free molecular flow drag. The impact of photons upon a spacecraft introduces small forces and moments. The magnitude and direction of the forces depend on the material properties of the spacecraft components being illuminated. The parts of the components being lit depends on the orientation of the craft with respect to the Sun, as well as the gimbal angles for any significant moving external parts (solar arrays, typically). Some components may shield others from the Sun. The purpose of this innovation is to enable high-fidelity computation of solar pressure and power generation effects of illuminated portions of spacecraft, taking self-shading from spacecraft attitude and movable components into account. The key idea in this innovation is to compute results dependent upon complicated geometry by using an image to break the problem into thousands or millions of sub-problems with simple geometry, and then the results from the simpler problems are combined to give high-fidelity results for the full geometry. This process is performed by constructing a 3D model of a spacecraft using an appropriate computer language (OpenGL), and running that model on a modern computer's 3D accelerated video processor. This quickly and accurately generates a view of the model (as shown on a computer screen) that takes rotation and articulation of spacecraft components into account. When this view is interpreted as the spacecraft as seen by the Sun, then only the portions of the craft visible in the view are illuminated. The view as shown on the computer screen is composed of up to millions of pixels. Each of those pixels is associated with a small illuminated area of the spacecraft. For each pixel, it is possible to compute its position, angle (surface normal) from the view direction, and the spacecraft material (and therefore, optical coefficients) associated with that area. With this information, the area associated with each pixel can be modeled as a simple flat plate for calculating solar pressure. The vector sum of these individual flat plate models is a high-fidelity approximation of the solar pressure forces and torques on the whole vehicle. In addition to using optical coefficients associated with each spacecraft material to calculate solar pressure, a power generation coefficient is added for computing solar array power generation from the sum of the illuminated areas. Similarly, other area-based calculations, such as free molecular flow drag, are also enabled. Because the model rendering is separated from other calculations, it is relatively easy to add a new model to explore a new vehicle or mission configuration. Adding a new model is performed by adding OpenGL code, but a future version might read a mesh file exported from a computer-aided design (CAD) system to enable very rapid turnaround for new designs

Wright, Theodore W. II↗

Speckle contrast diffuse correlation tomography of complex turbid medium flow

Purpose: Developed herein is a three-dimensional (3D) flow contrast imaging system leveraging advancements in the extension of laser speckle contrast imaging theories to deep tissues along with our recently developed finite-element diffuse correlation tomography (DCT) reconstruction scheme. This technique, termed speckle contrast diffuse correlation tomography (scDCT), enables incorporation of complex optical property heterogeneities and sample boundaries. When combined with a reflectance-based design, this system facilitates a rapid segue into flow contrast imaging of larger, in vivo applications such as humans. Methods: A highly sensitive CCD camera was integrated into a reflectance-based optical system. Four long-coherence laser source positions were coupled to an optical switch for sequencing of tomographic data acquisition providing multiple projections through the sample. This system was investigated through incorporation of liquid and solid tissue-like phantoms exhibiting optical properties and flow characteristics typical of human tissues. Computer simulations were also performed for comparisons. A uniquely encountered smear correction algorithm was employed to correct point-source illumination contributions during image capture with the frame-transfer CCD and reflectance setup. Results: Measurements with scDCT on a homogeneous liquid phantom showed that speckle contrast-based deep flow indices were within 12% of those from standard DCT. Inclusion of a solid phantom submerged below the liquid phantom surface allowed for heterogeneity detection and validation. The heterogeneity was identified successfully by reconstructed 3D flow contrast tomography with scDCT. The heterogeneity center and dimensions and averaged relative flow (within 3%) and localization were in agreement with actuality and computer simulations, respectively. Conclusions: A custom cost-effective CCD-based reflectance 3D flow imaging system demonstrated rapid acquisition of dense boundary data and, with further studies, a high potential for translatability to real tissues with arbitrary boundaries. A requisite correction was also found for measurements in the fashion of scDCT to recover accurate speckle contrast of deep tissues.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Candidate Inorganic Photovoltaic Materials from Electronic Structure-Based Optical Absorption and Charge Transport Proxies

Approximately 33,000 valence-precise, ordered inorganic compounds tabulated in the Inorganic Crystal Structure Database have been screened for their potential as photovoltaic (PV) absorbers. This has been accomplished through the use of proxies for charge carrier mobilities and optical absorption properties from electronic structure calculations, in addition to constraints on thermodynamic stability. Preliminary screening of computed properties tabulated in the Materials Project Database, with subsequent high(er)-fidelity electronic structure calculations of optical properties and band gap corrections, indicates ≈200 known compounds on or near the convex hull which exhibit spectroscopic limited maximum efficiency (SLME) in excess of 25% for a 500 nm thin film, in addition to possessing low effective masses for both electrons and holes. Among the predicted high performers are nearly all the typical commercial inorganic thin-film PV materials and several previously unexplored candidates. The new candidates are drawn from a diverse set of chemical and structural families, including many chalcogenides and pnictides as well as antiperovskites, skutterudites, and semiconducting intermetallics. Here, carrier effective masses, SLME, corrected band gaps, and other relevant information for ≈800 compounds are made available for further analyses via the Materials Project MPContribs Framework.

14 SOLAR ENERGY↗

Investigation of the dynamics of a nonlinear optical response in glassy chalcogenide semiconductors by the pump – probe method

An analysis of the results of measurements by using the pump – probe method with a femtosecond resolution in time and computer simulation of the charge carrier kinetics have revealed two types of a nonlinear optical response in samples of chalcogenide glasses belonging to the As – S – Se system, irradiated by 50-fs laser pulses with a wavelength of 0.79 μm. The difference in the nonlinear dynamics is due to the difference in the photoexcitation character, because laser radiation can be absorbed either through bound states in the band gap or without their participation, depending on the ratio of the pump photon energy to the bandgap energy. (nonlinear optical phenomena)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Temporally continuous thermofluidic–thermomechanical modeling framework for metal additive manufacturing

Additive manufacturing (AM) is known to generate large magnitudes of residual stresses (RS) within builds due to steep and localized thermal gradients. In the current state of commercial AM technology, manufacturers generally perform heat treatments in effort to reduce the generated RS and its detrimental effects on part distortion and in-service failure. Computational models that effectively simulate the deposition process can provide valuable insights to improve RS distributions. Accordingly, it is common to employ Computational fluid dynamics (CFD) models or finite element (FE) models. While CFD can predict geometric and thermal-fluid behavior, it cannot predict the structural response (e.g., stress–strain) behavior. On the other hand, an FE model can predict mechanical behavior, but it lacks the ability to predict geometric and fluid behavior. Thus, an effectively integrated thermofluidic–thermomechanical modeling framework that exploits the benefits of both techniques while avoiding their respective limitations can offer valuable predictive capability for AM processes. In contrast to previously published efforts, the work herein describes a one-way coupled CFD-FEA framework that abandons major simplifying assumptions, such as geometric steady-state conditions, the absence of material plasticity, and the lack of detailed RS evolution/accumulation during deposition, as well as insufficient validation of results. Here, the presented framework is demonstrated for a directed energy deposition (DED) process, and experiments are performed to validate the predicted geometry and RS profile. Both single- and double-layer stainless steel 316L builds are considered. Geometric data is acquired via 3D optical surface scans and X-ray micro-computed tomography, and residual stress is measured using neutron diffraction (ND). Comparisons between the simulations and measurements reveal that the described CFD-FEA framework is effective in capturing the coupled thermomechanical and thermofluidic behaviors of the DED process. The methodology presented is extensible to other metal AM processes, including power bed fusion and wire-feed-based AM.

42 ENGINEERING↗