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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 1,063 records · Page 59
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Temperature dependence of the carrier lifetime in Cd{sub x}Hg{sub 1−x}Te narrow-gap solid solutions with consideration for Auger processes

The temperature dependence of the carrier lifetime in Cd{sub x}Hg{sub 1−x}Te narrow-gap solid solutions in the temperature range 5 K < T < 300 K is analyzed within the scope of a microscopic model. Main attention is given to an analysis of the Auger recombination mechanism governing the carrier lifetime at high temperatures. The Auger-recombination rates are calculated with consideration for specific features of the band structure of the narrow-gap semiconductor in microscopic theory. It is shown that strict account of the non-parabolicity of the electronic structure in terms of Kane’s model leads to a substantially different temperature dependence of the Auger-recombination rates, compared with the approach in which nonparabolicity is disregarded.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Moving image analysis to the cloud: A case study with a genome-scale tomographic study

Over the last decade, the time required to measure a terabyte of microscopic imaging data has gone from years to minutes. This shift has moved many of the challenges away from experimental design and measurement to scalable storage, organization, and analysis. As many scientists and scientific institutions lack training and competencies in these areas, major bottlenecks have arisen and led to substantial delays and gaps between measurement, understanding, and dissemination. We present in this paper a framework for analyzing large 3D datasets using cloud-based computational and storage resources. We demonstrate its applicability by showing the setup and costs associated with the analysis of a genome-scale study of bone microstructure. We then evaluate the relative advantages and disadvantages associated with local versus cloud infrastructures.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Laser induced optical bleaching in Ge{sub 12}Sb{sub 25}S{sub 63} chalcogenide thin film

Photo induced effects of Ge{sub 12}Sb{sub 25}S{sub 63} films illuminated with 532 nm laser light is investigated from transmission spectra measured by FTIR spectroscopy. The material exhibit photo bleaching (PB) when exposed to band gap laser for a prolonged time in vacuum. The PB is ascribed to structural changes inside the film as well as surface photo oxidation. The amorphous nature of thin films was detected by X-ray diffraction. The chemical composition of the deposited thin films was examined by Energy Dispersive X-ray Analysis (EDAX). The refractive indices of the films were obtained from the transmission spectra based on inverse synthesis method, and the optical band gaps were derived from optical absorption spectra using the Tauc plot. The dispersion of the refractive index is discussed in terms of the single-oscillator Wemple–DiDomenico model. It was found that, the mechanism of the optical absorption follows the rule of the allowed non-direct transition. Raman spectra analysis also supports the optical changes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗
DOE OSTI2015

Full quantum mechanical analysis of atomic three-grating Mach–Zehnder interferometry

Atomic three-grating Mach–Zehnder interferometry constitutes an important tool to probe fundamental aspects of the quantum theory. There is, however, a remarkable gap in the literature between the oversimplified models and robust numerical simulations considered to describe the corresponding experiments. Consequently, the former usually lead to paradoxical scenarios, such as the wave–particle dual behavior of atoms, while the latter make difficult the data analysis in simple terms. Here these issues are tackled by means of a simple grating working model consisting of evenly-spaced Gaussian slits. As is shown, this model suffices to explore and explain such experiments both analytically and numerically, giving a good account of the full atomic journey inside the interferometer, and hence contributing to make less mystic the physics involved. More specifically, it provides a clear and unambiguous picture of the wavefront splitting that takes place inside the interferometer, illustrating how the momentum along each emerging diffraction order is well defined even though the wave function itself still displays a rather complex shape. To this end, the local transverse momentum is also introduced in this context as a reliable analytical tool. The splitting, apart from being a key issue to understand atomic Mach–Zehnder interferometry, also demonstrates at a fundamental level how wave and particle aspects are always present in the experiment, without incurring in any contradiction or interpretive paradox. On the other hand, at a practical level, the generality and versatility of the model and methodology presented, makes them suitable to attack analogous problems in a simple manner after a convenient tuning. - Highlights: • A simple model is proposed to analyze experiments based on atomic Mach–Zehnder interferometry. • The model can be easily handled both analytically and computationally. • A theoretical analysis based on the combination of the position and momentum representations is considered. • Wave and particle aspects are shown to coexist within the same experiment, thus removing the old wave-corpuscle dichotomy. • A good agreement between numerical simulations and experimental data is found without appealing to best-fit procedures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Bibliometric review and recent advances in total scattering pair distribution function analysis: 21 years in retrospect

Global research activities have been driven by the quest to develop and characterize novel materials for technological advancements. The total scattering pair distribution function (TSPDF) is a powerful and versatile characterization technique for examining the structural details of diverse complex materials including liquid, amorphous, disordered crystalline, and nanostructured materials. Thus, it is critical to keep track of research progress, identify research gaps, and future research directions of the application of the TSPDF technique in materials development and discovery. In this work, a bibliometric analysis of literature regarding the TSPDF technique between 2000 and 2021 was conducted using datasets retrieved from the Web of Science database. The research trends based on publication outputs, research subject distribution, co-authorships among institutions, countries/regions, co-citation of referenced sources, and keyword co-occurrence are evaluated and discussed herein. The impact of the TSPDF technique is projected to increase due to its importance in probing emerging functional materials, and the advances in specialized facilities and instrumentation among the scientific communities engaged with it. Finally, current and emerging research hotspots related to TSPDF technique such as catalysis, computer modeling and simulation, pharmaceutics, machine learning, hydrogen storage, battery materials, and layered structured materials are also identified and discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Scaling laws for gas breakdown for nanoscale to microscale gaps at atmospheric pressure

Electronics miniaturization motivates gas breakdown predictions for microscale and smaller gaps, since traditional breakdown theory fails when gap size, d, is smaller than ∼15 μm at atmospheric pressure, p{sub atm}. We perform a matched asymptotic analysis to derive analytic expressions for breakdown voltage, V{sub b}, at p{sub atm} for 1 nm ≤ d ≤ 35 μm. We obtain excellent agreement between numerical, analytic, and particle-in-cell simulations for argon, and show V{sub b} decreasing as d → 0, instead of increasing as predicted by Paschen's law. This work provides an analytic framework for determining V{sub b} at atmospheric pressure for various gap distances that may be extended to other gases.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Development of a plug-and-play anti-noise module for fault diagnosis of rotating machines in nuclear power plants

The health of rotating machines is crucial to the stable operation and safety of nuclear power plants. However, research on machine learning-based fault diagnosis of rotating machines in the nuclear industry is still in its infancy. The signal noise generated in the plant may negatively affect the effectiveness of the analysis. In this paper, a plug-and-play anti-noise machine learning module is proposed to fill the knowledge and capability gap. The modules are loaded into a convolutional neural network called deep residual network (ResNet) to obtain a new model with noise reduction capability. The basic idea is that the module is able to identify noise features and include them in the subsequent analysis, effectively filtering noise at the feature level of the network. Nine variants of the new model are compared with the original ResNet as well as four classical machine learning models to test the effectiveness of the module and to examine the impact of the module's loading modes on the performance of the new model. Finally, this research helps facilitate the application of machine learning in the plant noise environment.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Designing networks: A mixed-integer linear optimization approach

Designing networks with specified collective properties is useful in a variety of application areas, enabling the study of how given properties affect the behavior of network models, the downscaling of empirical networks to workable sizes, and the analysis of network temporal evolution. Despite the importance of the task, there currently exists a gap in our ability to systematically generate networks that adhere to theoretical guarantees for the given property specifications. In this work, we propose the use of Mixed-Integer Linear Optimization modeling and solution methodologies to address this Network Generation Problem. We present useful modeling techniques and apply them to mathematically express and constrain a broad class of network properties in the context of an optimization formulation. We derive complete formulations for the generation of networks that attain specified levels of connectivity, spread, assortativity and robustness, and we illustrate these via a number of computational case studies.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Integrating out beyond tree level and relativistic superfluids

We revisit certain subtleties of renormalization that arise when one derives a low-energy effective action by integrating out the heavy fields of a more complete theory. Usually these subtleties are circumvented by matching some physical observables, such as scattering amplitudes, but a more involved procedure is required if one is interested in deriving the effective theory to all orders in the light fields (but still to fixed order in the derivative expansion). As a concrete example, we study the U(1) Goldstone low-energy effective theory that describes the spontaneously broken phase of a $\phi$ 4 theory for a complex scalar. Working to lowest order in the derivative expansion, but to all orders in the Goldstones, we integrate out the radial mode at one loop and express the low-energy effective action in terms of the renormalized couplings of the UV completion. This yields the one-loop equation of state for the superfluid phase of (complex) $\phi$ 4 . We perform the same analysis for a renormalizable scalar SO(N) theory at finite chemical potential, integrating out the gapped Goldstones as well, and confirm that the effective theory for the gapless Goldstone exhibits no obvious sign of the original SO(N) symmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Role of Dysprosium Doping on Structural, Optical, Magnetic and Electrical Properties of ZnO Nanorods

Well-defined Dy-doped ZnO rods were synthesized by hydrothermal route. Various studies were carried out on the synthesized rods like x-ray diffraction to confirm their hexagonal wurtzite structure; TEM, HRTEM and selected area electron diffraction to establish their rodlike structure; energy-dispersive x-ray spectroscopy analysis confirming appropriate substitution of dopant; UV-Vis spectra, which showed decrease in band gap with dopant concentration and photoluminescence study furnishing information regarding the presence of various types of defects. Further, magnetic studies were done using VSM to confirm roomtemperature ferromagnetic behaviour of both for undoped and doped ZnO rods and, the electrical studies were performed using four probe method, which confirmed that the ‘variation in resistivity with dopant concentration’ was related to crystallinity of the samples. UV-Vis spectra showed effect of dopant concentration on band gap and photoluminescence study confirms induced ferromagnetic behaviour due to Dy doping.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2013

Electronic and optical properties of layered RE{sub 2}Ti{sub 2}O{sub 7} (RE = Ce and Pr) from first principles

We have studied the structural and electronic properties of Ce{sub 2}Ti{sub 2}O{sub 7} (CeTO) and Pr{sub 2}Ti{sub 2}O{sub 7} (PrTO) by first-principles density functional theory calculations. The computed structural parameters are in fairly good agreement with the available experimental findings. Band structure calculations using the GGA+U approach predict an insulating ground state for the herein studied compounds. The insulating band gaps of 2.00 eV and 2.83 eV are found for CeTO and PrTO, respectively. The analysis of the density of states reveals that the strongly localized RE 4f levels act as charge-trapping sites, predicting a lower photocatalytic activity for CeTO. We have also calculated the optical properties for both CeTO and PrTO. Based on these properties, it is predicted that these titanates are insensitive to ultra-violet radiation, while they are more sensitive to frequencies of the radiation in visible and early UV regions.

36 MATERIALS SCIENCE↗
DOE OSTI2015

An analysis of temperature-dependent absorption and photocurrent spectra in BaAl{sub 2}Se{sub 4} layers

The temperature-dependent photoresponse behavior of BaAl{sub 2}Se{sub 4} layers has been investigated through the analysis of optical absorption and photocurrent (PC) spectra. Based on these results, the optical band gap was well expressed by E{sub g}(T) = E{sub g}(0) − 4.39 × 10{sup −4}T{sup 2}/(T + 250), where E{sub g}(0) is estimated to be 3.4205, 3.6234, and 3.8388 eV for the transitions corresponding to the valence band states Γ{sub 3}(A), Γ{sub 4}(B), and Γ{sub 5}(C), respectively. From the PC measurement, three peaks A, B, and C corresponded with the intrinsic transitions from the valence band states of Γ{sub 3}(A), Γ{sub 4}(B), and Γ{sub 5}(C) to the conduction band state of Γ{sub 1}, respectively. According to the selection rule, the crystal field and spin orbit splitting were found to be 0.2029 and 0.2154 eV, respectively, through the direct use of PC spectroscopy. However, the PC intensities decreased with lowering temperature. In the log J{sub ph} versus 1/T plot, the dominant trap level at the high-temperature region was observed and its value was 12.7 meV. This level corresponds to the activation energy for the electronic transition from the shallow donor levels to the edge of the conduction band. It is estimated that the decrease in the PC intensity is caused by trapping centers related to native defects in the BaAl{sub 2}Se{sub 4} layers. Consequently, this trap level limited the PC intensity with decreasing temperature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Tunability of multichannel optical filter based on magnetized one-dimensional plasma photonic crystal

A one dimensional plasma photonic crystal (1DPPC) structure was proposed to design a tunable compressing/broadening multi-channel optical filter with external controllability. The 1DPPC with arrangement of (AP){sup n}D(PA){sup n}, where A and D are the dielectric materials, P is a magnetized plasma layer and n is the number of the periodicity, was proposed. The well-known transfer matrix method was employed for analysis. In linear transmittance spectrum, n − 1 defect modes were appeared inside the photonic band gap. The results were shown that by increasing the applied magnetic field intensity and its direction, a red-shift and blue-shift were, respectively, observed in defect mode frequencies. On the other hand, the modes were compressed and broadened with increasing the intensity and the direction of the applied magnetic field, respectively. Externally controllable defect modes can be useful in designing a multichannel tunable optical filter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Spectroscopic studies on diamond like carbon films synthesized by pulsed laser ablation

Hydrogen free Diamond like Carbon (DLC) thin films enriched with C-C sp{sup 3} bonding were grown on Si (111) substrates at laser pulse energies varying from 100 to 400 mJ (DLC-100, DLC-200, DLC-300, DLC-400), by Pulsed Laser Ablation (PLA) utilizing an Nd:YAG laser operating at fundamental wavelength. Structural, optical and morphological evolutions as a function of laser pulse energy were studied by micro Raman, UV-Vis spectroscopic studies and Atomic Force Microscopy (AFM), respectively. Raman spectra analysis provided critical clues for the variation in sp{sup 3} content and optical energy gap. The sp{sup 3} content was estimated using the FWHM of the G peak and found to be in the range of 62-69%. The trend of evolution of sp{sup 3} content matches well with the evolution of I{sub D}/I{sub G} ratio with pulse energy. UV-Vis absorption study of DLC films revealed the variation of optical energy gap with laser pulse energy (1.88 – 2.23 eV), which matches well with the evolution of G-Peak position of the Raman spectra. AFM study revealed that roughness, size and density of particulate in DLC films increase with laser pulse energy.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Strain-induced nonsymmorphic symmetry breaking and removal of Dirac semimetallic nodal line in an orthoperovskite iridate

By using a combination of heteroepitaxial growth, structure refinement based on synchrotron x-ray diffraction, and first-principles calculations, we show that the symmetry-protected Dirac line nodes in the topological semimetallic perovskite SrIrO 3 can be lifted simply by applying epitaxial constraints. In particular, the Dirac gap opens without breaking the Pbnm mirror symmetry. In virtue of a symmetry-breaking analysis, we demonstrate that the original symmetry protection is related to the n -glide operation, which can be selectively broken by different heteroepitaxial structures. Here, this symmetry protection renders the nodal line a nonsymmorphic Dirac semimetallic state. The results highlight the vital role of crystal symmetry in spin-orbit-coupled correlated oxides and provide a foundation for experimental realization of topological insulators in iridate-based heterostructures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Nonlinear Spectroscopy of Collective Modes in an Excitonic Insulator

The nonlinear optical response of an excitonic insulator coupled to lattice degrees of freedom is shown to depend in strong and characteristic ways on whether the insulating behavior originates primarily from electron-electron or electron-lattice interactions. Linear response optical signatures of the massive phase mode and the amplitude (Higgs) mode are identified. Upon nonlinear excitation resonant to the phase mode, a new in-gap mode at twice the phase mode frequency is induced, leading to a huge second harmonic response. Excitation of in-gap phonon modes leads to different and much smaller effects. A Landau-Ginzburg theory analysis explains these different behaviors and reveals that a parametric resonance of the strongly excited phase mode is the origin of the photoinduced mode in the electron-dominant case. Here, the difference in the nonlinear optical response serves as a measure of the dominant mechanism of the ordered phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗