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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 OSTI2021

Diaboloidal mirrors: algebraic solution and surface shape approximations

A new type of optical element that can focus a cylindrical wave to a point focus (or vice versa) is analytically described. Such waves are, for example, produced in a beamline where light is collimated in one direction and then doubly focused by a single optic. A classical example in X-ray optics is the collimated two-crystal monochromator, with toroidal mirror refocusing. The element here replaces the toroid, and in such a system provides completely aberration free, point-to-point imaging of rays from the on-axis source point. We present an analytic solution for the mirror shape in its laboratory coordinate system with zero slope at the centre, and approximate solutions, based on bending an oblique circular cone and a bent right circular cylinder, that may facilitate fabrication and metrology.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2021

Assessment of a tomography-informed polyhedral discrete element modelling approach for complex-shaped granular woody biomass in stress consolidation

The design of handling equipment for granular biomass primarily requires experiments. Discrete element models (DEM) can provide designers with detailed insight into the behaviour of granular materials. However, granular biomass comprising complex-shaped particles is difficult to model with DEM. A tomography-informed DEM approach and an exhaustive assessment of the ability of the approach to predict the bulk behaviour of milled pines using experimental data is presented. Nano-CT scan was conducted to obtain 3D particle surface geometries as the basis for particle shape approximation by a polyhedral model and a sphero-polyhedral model. These models were applied in the simulation of a compressibility test. Our parametric study showed that particle Young's modulus and restitution coefficient are the two main properties influencing the simulated bulk behaviour of the DEM particles and that the level of approximating DEM particle shape for real particles is critical for accurately replicating the bulk behaviour of milled pines. The polyhedral model demonstrated better suitability than its sphero-polyhedral counterpart for modelling pine particles. The polyhedral model calibrated in a compressibility test was then applied in the simulations of a friction test without additional parameter tuning. Interlocking was dominant in the shear of bulk pine particles. Remarkably, the polyhedral model predicted the frictional behaviour of the pine particles when compared to the experimental results. The limitations of the model, as well as possible ways for enhancement, are discussed. This work provided novel insights into the suitability of complex-shaped DEM models for granular woody biomass.

Biomass flow↗
DOE OSTI2026

Bio-Inspired Energy-Efficient Nanofabricated Electrical Contacts

Nanoscale electrical contacts, especially those between materials of dissimilar electronic properties, often represent one of the main causes of drops in energy transfer efficiency. They are also among the sources of above-threshold noise, and their performance often decreases over the lifetime of the nanodevices. Scale-down limitations from mesoscopic to nanoscale devices, and likewise, of nanoscale to quantum-scale devices are also impeded by contacts’ quality. Making more reliable, energy-efficient electrical contacts is among the goals of the nanoelectronics research within the framework of energy-efficient electronic systems. This report focuses on the design, nanofabrication, and testing of novel shapes of electrical contacts. Lithography and nanofabrication were utilized to mimic the approximate shape of insect setae for mesoscale contacts design. The contacts are tested for elementary charge transport via I–V curves and for the broadband, 1/f noise. Tests show that contacts design leads to a measurable decrease in the energy necessary to operate a contact as a switch by at least 12–20%, depending on temperature, while broadband noise shows measurably lower power spectra, for bio-inspired contacts. The proposed method is open to modifications and improvements as required by various on-chip applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Dopant Compensation within the Intrinsic Poly-Si Isolation Region in Poly-Si/SiOx Passivated IBC Si Solar Cells

We report on the effect of dopant compensation within intrinsic poly-Si regions between p- and n-type fingers of poly-Si/SiOx passivated interdigitated back contact (IBC) solar cells using intrinsic poly-Si as the isolation region between the doped poly-Si fingers. First, we show that dopants from the doped fingers contaminate the intrinsic gap, resulting in doping of the entire intrinsic gap and overlap of the dopant tails from each finger. Next, we show that despite this doping across the gap, shunting between the doped fingers does not occur. We show that this is a result of trap-assisted compensation creating a highly resistive intrinsic region, preventing shunt. We simulate shunt resistance across the gap based on local carrier concentration and deep trap density. We show that trap defects within the poly-Si enhance compensation between the dopant tails. We experimentally confirm these predictions by scanning spreading resistance microscopy of the gap showing ~20 um domain with resistivity ~10^7 ..omega.. cm. Additionally, Kelvin probe force microscopy are compared to finite element simulations which result in the same approximate shape for potential profile, indicating diode behavior across the isolation region. These results demonstrate the powerful effect that trap defects have within the poly-Si isolation region and suggest that precision patterning is not as essential as once thought.

dopant compensation↗
DOE OSTI2021

A Review of Basic Energy Reconstruction Techniques in Liquid Xenon and Argon Detectors for Dark Matter and Neutrino Physics Using NEST

Detectors based upon the noble elements, especially liquid xenon as well as liquid argon, as both single- and dual-phase types, require reconstruction of the energies of interacting particles, both in the field of direct detection of dark matter (weakly interacting massive particles WIMPs, axions, etc.) and in neutrino physics. Experimentalists, as well as theorists who reanalyze/reinterpret experimental data, have used a few different techniques over the past few decades. In this paper, we review techniques based on solely the primary scintillation channel, the ionization or secondary channel available at non-zero drift electric fields, and combined techniques that include a simple linear combination and weighted averages, with a brief discussion of the application of profile likelihood, maximum likelihood, and machine learning. Comparing results for electron recoils (beta and gamma interactions) and nuclear recoils (primarily from neutrons) from the Noble Element Simulation Technique (NEST) simulation to available data, we confirm that combining all available information generates higher-precision means, lower widths (energy resolution), and more symmetric shapes (approximately Gaussian) especially at keV-scale energies, with the symmetry even greater when thresholding is addressed. Near thresholds, bias from upward fluctuations matters. For MeV-GeV scales, if only one channel is utilized, an ionization-only-based energy scale outperforms scintillation; channel combination remains beneficial. We discuss here what major collaborations use.

argon↗
DOE OSTI2022

Rapid manufacturing of tailored preforms

A method for rapid manufacturing of three dimensional discontinuous fiber preforms is provided. The method includes the deposition of a polymeric material containing fibers on a surface to form a tailored charge for compression molding. The reinforced polymeric material may be a thermoplastic or a reactive polymer with viscosity low enough to allow flow through an orifice during deposition, yet high enough zero shear viscosity to retain the approximate shape of the deposited charge. The material can be deposited in a predetermined pattern to induce the desired mechanical properties through alignment of the fibers. This deposition can be performed in a single layer or in multiple layers. The alignment is achieved passively by shear alignment of the fibers or actively through fiber orientation control or mixing. The fibers can be of the desired material, length, and morphology, including short and long filaments.

Kunc, Vlastimil↗
DOE OSTI2021

Analysis of the EMCCD point-source response using x-rays

Electron Multiplying Charge Coupled Devices, EMCCD are used as x-ray detectors. The NSLS-II Soft Inelastic x-ray Scattering (SIX) beam line has two EMCCDs for x-ray detection in the spectrometer arm. The spectrometer with high resolving power disperses x-rays vertically. The x-ray vertical position on the sensor plane is related to its energy. This allows for very accurate x-ray energy measurements through x-ray coordinates. X-rays interact with silicon and create a number of electron-hole pairs proportional to the x-ray energy. Electrons drift and diffuse toward pixel gates and are collected there. The diffused electrons form a charge cloud distributed over several neighboring pixels. This charge sharing enables coordinate measurements with accuracy better than the pixel pitch. The charge distribution shape has to be taken into account to achieve ultimate accuracy in coordinate measurements. In this paper, we present a method of the charge distribution shape analysis and demonstrate its applications. The drift and diffusion of electrons ftom the point of generation to pixel gates results in the bell-shaped electron cloud usually approximated by Gaussian shape. The number of electrons collected under a pixel is proportional to the shape function integral. These electron packets get transferred to the sense node of the output amplifier. The transfer process could introduce distortions to the original charge distribution. For example, during transfers, electrons in the packet could be exposed to traps if they are present in the sensor. The trapping and later the release processes distort the apparent shape of the charge distribution. Therefore, deviations of the charge distribution shape ftom the originally symmetrical form can indicate the presence of trap centers in the sensor and can be used for sensor diagnostics.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

High absorption photovoltaic material and methods of making the same

A high absorption photovoltaic material and method of making the material for use in a solar cell are disclosed. The photovoltaic material includes a surface modified with a layer of repeating photonic crystal structures. The photonic crystal structures are approximately inverse conically shaped and have a curved sidewall that has an approximately Gaussian shape. The photonic crystal structures generally have a high vertical depth and sidewall angle. The structures also have a gradient refractive index profile and exhibit the parallel-to-interface refraction light trapping effect. An anti-reflective coating is disposed over the photonic crystal structure layer. The photovoltaic material exhibits near unity light absorption over a broad range of visible and near infrared wavelengths and incidence angles, even at reduced thicknesses. The photovoltaic structures are formed via a combined photolithography and reactive-ion etching method at low power with a gas mixture having a high ratio of an etchant component to a passivation component.

Kuang, Ping↗
DOE OSTI2022

Toward a more realistic representation of surface albedo in NASA CERES-derived surface radiative fluxes

Accurate multidecadal radiative flux records are vital to understand Arctic amplification and constrain climate model uncertainties. Uncertainty in the NASA Clouds and the Earth’s Radiant Energy System (CERES)-derived irradiances is larger over sea ice than any other surface type and comes from several sources. The year-long Multidisciplinary drifting Observatory for the Study of Arctic Climate (MOSAiC) expedition in the central Arctic provides a rare opportunity to explore uncertainty in CERES-derived radiative fluxes. First, a systematic and statistically robust assessment of surface shortwave and longwave fluxes was conducted using in situ measurements from MOSAiC flux stations. The CERES Synoptic 1degree (SYN1deg) product overestimates the downwelling shortwave flux by +11.40 Wm –2 and underestimates the upwelling shortwave flux by –15.70 Wm –2 and downwelling longwave fluxes by –12.58 Wm –2 at the surface during summer. In addition, large differences are found in the upwelling longwave flux when the surface approaches the melting point (approximately 0°C). The biases in downwelling shortwave and longwave fluxes suggest that the atmosphere represented in CERES is too optically thin. The large negative bias in upwelling shortwave flux can be attributed in large part to lower surface albedo (–0.15) in satellite footprint relative to surface sensors. Additionally, the results show that the spectral surface albedo used in SYN1deg overestimates albedo in visible and mid-infrared bands. A series of radiative transfer model perturbation experiments are performed to quantify the factors contributing to the differences. The CERES-MOSAiC broadband albedo differences (approximately 20 Wm –2 ) explain a larger portion of the upwelling shortwave flux difference than the spectral albedo shape differences (approximately 3 Wm –2 ). In addition, the differences between perturbation experiments using hourly and monthly MOSAiC surface albedo suggest that approximately 25% of the sea ice surface albedo variability is explained by factors not correlated with daily sea ice concentration variability. Biases in net shortwave and longwave flux can be reduced to less than half by adjusting both albedo and cloud inputs toward observed values. The results indicate that improvements in the surface albedo and cloud data would substantially reduce the uncertainty in the Arctic surface radiation budget derived from CERES data products.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

An adaptive moments-based interface reconstruction using intersection of the cell with one half-plane, two half-planes and a circle

We present a new adaptive moment-of-fluid (A-MOF) interface reconstruction method. It uses the zeroth, first, and second moments of the fragment of material inside a cell of the mesh to construct a shape that approximates the respective material fragment. The new method requires information about the material moments only for the cell under consideration. The adaptive method chooses between shapes obtained by the intersection of the cell with one half-plane, two half-planes, or a circle. The A-MOF method allows to exactly reproduce several convex shapes: corners, filaments, and their concave cell-complements; as well as pieces of the circles and its cell-compliments. Interface reconstruction is formulated as a local (for each cell), non-linear, equality constrained optimization problem, which does not require additional communication and allows for an efficient parallel implementation. In conclusion, we present an extensive set of test problems, both for interface reconstruction on a single cell, and for reconstruction of a variety of shapes on the entire mesh.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Droplet formation simulation using mixed finite elements

Droplet formation happens in finite time due to the surface tension force. The linear stability analysis is useful to estimate the size of a droplet but fails to approximate the shape of the droplet. This is due to a highly nonlinear flow description near the point where the first pinch-off happens. A one-dimensional axisymmetric mathematical model was first developed by Eggers and Dupont [“Drop formation in a one-dimensional approximation of the Navier–Stokes equation,” J. Fluid Mech. 262, 205–221 (1994)] using asymptotic analysis. This asymptotic approach to the Navier–Stokes equations leads to a universal scaling explaining the self-similar nature of the solution. Numerical models for the one-dimensional model were developed using the finite difference [Eggers and Dupont, “Drop formation in a one-dimensional approximation of the Navier–Stokes equation,” J. Fluid Mech. 262, 205–221 (1994)] and finite element method [Ambravaneswaran et al., “Drop formation from a capillary tube: Comparison of one-dimensional and two-dimensional analyses and occurrence of satellite drops,” Phys. Fluids 14, 2606–2621 (2002)]. The focus of this study is to provide a robust computational model for one-dimensional axisymmetric droplet formation using the Portable, Extensible Toolkit for Scientific Computation. The code is verified using the Method of Manufactured Solutions and validated using previous experimental studies done by Zhang and Basaran [“An experimental study of dynamics of drop formation,” Phys. Fluids 7, 1184–1203 (1995)]. The present model is used for simulating pendant drops of water, glycerol, and paraffin wax, with an aspiration of extending the application to simulate more complex pinch-off phenomena.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

An experiment-informed discrete element modelling study of knife milling for flexural biomass feedstocks

A discrete element method (DEM) based approach is used to study the relationships between material attributes (MAs), processing parameters (PPs), and quality attributes (QAs) for the knife milling of maize stalks. An approximate DEM shape model was conceptualized based on real maize stalks and calibrated based on experimental bending test data for flexural properties (elastic bending stiffness, elastic bending angle limit, elastoplastic ratio, etc.). DEM simulations of maize stalk comminution in a Jordan Reduction Solutions (“JRS”) knife mill were performed to investigate the relationships between the MAs (maize stalk size and breakage stress limit), PPs (impeller rotational speed), and QAs (mass throughput and output particle size distribution (PSD)). The DEM results suggest that stalk length has little influence on mass throughput and PSD, whilst stalks with larger cross sections tend to generate larger sizes of milled particles given the same breakage stress limit. Both the DEM and experimental results show that faster impeller rotation (or higher power) does not necessarily generate higher throughput or smaller output PSD, especially for maize stalks of higher breakage stress limit. The correlations between these MAs, PPs and QAs are found highly stochastic, though breakage stress limit dictates mass throughput, regardless of stalk size. The DEM-predicted output particle size tended to match the experimental data with coarse PSDs based on sieve size but showed weakened fidelity with finer material, indicating the potential for further model improvement.

09 BIOMASS FUELS↗
DOE OSTI2021

Adversarial sampling of unknown and high-dimensional conditional distributions

Many engineering problems require the prediction of realization-to-realization variability or a refined description of modeled quantities. In that case, it is necessary to sample elements from unknown high-dimensional spaces with possibly millions of degrees of freedom. While there exist methods able to sample elements from probability density functions (PDF) with known shapes, several approximations need to be made when the distribution is unknown. In this paper the sampling method, as well as the inference of the underlying distribution, are both handled with a data-driven method known as generative adversarial networks (GAN), which trains two competing neural networks to produce a network that can effectively generate samples from the training set distribution. In practice, it is often necessary to draw samples from conditional distributions. When the conditional variables are continuous, only one (if any) data point corresponding to a particular value of a conditioning variable may be available, which is not sufficient to estimate the conditional distribution. This work handles this problem using an a priori estimation of the conditional moments of a PDF. Herein, two approaches, stochastic estimation, and an external neural network are compared for computing these moments; however, any preferred method can be used. The algorithm is demonstrated in the case of the deconvolution of a filtered turbulent flow field. It is shown that all the versions of the proposed algorithm effectively sample the target conditional distribution with minimal impact on the quality of the samples compared to state-of-the-art methods. Additionally, the procedure can be used as a metric for the diversity of samples generated by a conditional GAN (cGAN) conditioned with continuous variables.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Shock-induced bubble jets: a dual perspective of bubble collapse and interfacial instability theory

Interactions between shock waves and gas bubbles in a liquid can lead to bubble collapse and high-speed liquid jet formation, relevant to biomedical applications such as shock wave lithotripsy and targeted drug delivery. This study reveals a complex interplay between acceleration-induced instabilities that drive jet formation and radial accelerations causing overall bubble collapse under shock wave pressure. Using high-speed synchrotron X-ray phase contrast imaging, the dynamics of micrometre-sized air bubbles interacting with laser-induced underwater shock waves are visualised. These images offer full optical access to phase discontinuities along the X-ray path, including jet formation, its propagation inside the bubble, and penetration through the distal side. Jet formation from laser-induced shock waves is suggested to be an acceleration-driven process. A model predicting jet speed based on the perturbation growth rate of a single-mode Richtmyer–Meshkov instability shows good agreement with experimental data, despite uncertainties in the jet-driving mechanisms. The jet initially follows a linear growth phase, transitioning into a nonlinear regime as it evolves. To capture this transition, a heuristic model bridging the linear and nonlinear growth phases is introduced, also approximating jet shape as a single-mode instability, again matching experimental observations. Upon piercing the distal bubble surface, jets can entrain gas and form a toroidal secondary bubble. Linear scaling laws are identified for the pinch-off time and volume of the ejected bubble relative to the jet’s Weber number, characterising the balance of inertia and surface tension. At low speeds, jets destabilise due to capillary effects, resulting in ligament pinch-off.

Drops and Bubbles: Bubble dynamics↗
DOE OSTI2025

Exploring transport mechanisms in atomic precision advanced manufacturing enabled pn junctions

We investigate the different transport mechanisms that can occur in pn junction devices made using atomic precision advanced manufacturing at temperatures ranging from cryogenic to room temperature. We first elucidate the potential cause of the anomalous behavior observed in the forward-bias response of these devices in recent cryogenic temperature measurements, which deviates from the theoretical response of a silicon Esaki diode. These anomalous behaviors include current suppression at low voltages in the forward-bias response and a much lower valley voltage at cryogenic temperatures than theoretically expected for a silicon diode. To investigate the potential causes of these anomalies, we studied the effects of a few possible transport mechanisms, including band-to-band tunneling, bandgap narrowing, potential impact of non-Ohmic contacts, band quantization, impact of leakage, and inelastic trap-assisted tunneling, through semi-classical simulations. We find that a combination of two sets of band-to-band tunneling (BTBT) parameters can qualitatively approximate the shape of the tunneling current at low bias. This can arise from band quantization and realignment due to the strong potential confinement in δ-layers. We also find that the lower-than-theoretically-expected valley voltage can be attributed to modifications in the electronic band structure within the δ-layer regions, leading to a significant bandgap narrowing induced by the high density of dopants. Finally, we extend our analyses to room temperature operation and predict that trap-assisted tunneling (TAT) facilitated by phonon interactions may become significant, leading to a complex superposition of BTBT and TAT transport mechanisms in the electrical measurements.

band gap↗
DOE OSTI2021

Progress towards understanding ultranonlocality through the wave-vector and frequency dependence of approximate exchange-correlation kernels

In the framework of time-dependent density functional theory (TDDFT), the exact exchange-correlation (xc) kernel f xc (n, q, ω) determines the ground-state energy, excited-state energies, lifetimes, and the time-dependent linear density response of any many-electron system. The recently developed MCP07 xc kernel f xc (n, q, ω) of A. Ruzsinszky et al. [Phys. Rev. B 101, 245135 (2020)] yields excellent uniform electron gas (UEG) ground-state energies and plausible plasmon lifetimes. As MCP07 is constructed to describe f xc of the UEG, it cannot capture optical properties of real materials. To verify this claim, we follow Nazarov et al. [Phys. Rev. Lett. 102, 113001 (2009)] to construct the long-range, dynamic xc kernel, lim q→0 f xc (n, q, ω) = -α(ω)e 2 /q 2 , of a weakly inhomogeneous electron gas, using MCP07 and other common xc kernels. The strong wavevector and frequency dependence of the “ultranonlocality” coefficient α(ω) is demonstrated for a variety of simple metals and semiconductors. We examine how imposing exact constraints on an approximate kernel shapes α(ω). Comparisons to kernels derived from correlated-wavefunction calculations are drawn.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Robustness of the Galactic Center excess morphology against masking

The Galactic Center excess (GCE) remains an enduring mystery, with leading explanations being annihilating dark matter or an unresolved population of millisecond pulsars. Analyzing the morphology of the GCE provides critical clues to identify its exact origin. We investigate the robustness of the inferred GCE morphology against the effects of masking, an important step in the analysis where the gamma-ray emission from point sources and the galactic disk are excluded. Using different masks constructed from Fermi point source catalogs and a wavelet method, we find that the GCE morphology, particularly its ellipticity and cuspiness, is relatively independent of the choice of mask for energies above 2–3 GeV. The GCE morphology systematically favors an approximately spherical shape, as expected for dark matter annihilation. Compared to various stellar bulge profiles, a spherical dark matter annihilation profile better fits the data across different masks and galactic diffuse emission backgrounds, except for the stellar bulge profile which provides a similar fit to the data. Modeling the GCE with two components, one from dark matter annihilation and one tracing the Coleman bulge, we find this two-component model outperforms any single component or combinations of dark matter annihilation and other stellar bulge profiles. Uncertainty remains about the exact fraction contributed by each component across different background models and masks. Furthermore, when the Coleman bulge dominates, its corresponding spectrum lacks characteristics typically associated with millisecond pulsars, suggesting that it mostly models the emission from other sources instead of the GCE that is still present and spherically symmetric.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗