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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 649 records · Page 36
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Large-Eddy Simulation Study of Flow and Combustion Dynamics in a Full-Scale Hydrogen–Air Rotating Detonation Combustor-Stator Integrated System

In the present work, a first-of-its-kind three-dimensional (3D) large-eddy simulation (LES) study is conducted to numerically investigate the combustion dynamics as well as aero-thermal phenomena in a full-scale nonpremixed hydrogen–air rotating detonation engine (RDE) (with a diverging-shaped lower-end wall), when integrated with nozzle guide vanes (NGV) acting as the turbine stator. The wall-modeled LES framework incorporates hydrogen–air detailed chemical kinetics and adaptive mesh refinement (AMR). A comparative analysis is carried out for two operating conditions with different fuel/air mass flow rates but global equivalence ratio of unity, and considering RDE configurations without and with stator. The LES model is validated against available experimental data for the low mass flux condition with respect to detonation wave speed/height, wave dynamics, and axial static pressure distribution. Numerical results indicate significant deflagrative combustion occurring in the fill region near the inner wall due to formation of recirculation zones in the injection near-field driven by the backward facing step. The leading detonation wave is found to be trailed by an azimuthal reflected-shock combustion (ARSC) wave, consistent with experimental observations, which consumes unburned vitiated reactants that leak through the main detonation wave. The main detonation wave characteristics, such as detonation wave speed/height and combustion efficiency, do not change appreciably with the presence of NGV. A novel combustion diagnostic technique based on chemical explosive mode analysis (CEMA) is employed to quantify the fraction of heat release occurring in the detonative mode versus deflagrative mode for the simulated conditions. The exit flow is found to be nearly fully subsonic and supersonic for the low and high mass flux conditions, respectively. Further analysis of the exit flow profiles shows that the presence of NGV renders the flow more axial and significantly impacts the exit Mach number and total pressure, while the total temperature shows negligible change. In addition, the low mass flux operating point, despite exhibiting more deflagrative losses within the combustor, yields overall lower pressure drop from plenum to exhaust, which is mainly attributed to lower pressure drop across the injectors. Lastly, the rotating detonation engine-nozzle guide vanes (RDE-NGV) configuration exhibits higher total pressure loss compared to rotating detonation engine (RDE) without stator across both the mass flux conditions. In conclusion, this study extends the state-of-the-art in numerical modeling of pressure gain combustion (PGC) systems by demonstrating high-fidelity 3D reacting LES of full-scale RDE-NGV systems relevant to RDE-turbine integration for stationary power generation.

Combustion↗
DOE OSTI2020

Incorporating FLEX Strategies in Multi-Unit Probabilistic Risk Assessment

The catastrophic Fukushima nuclear accident reminded nuclear community about the possibilities of extreme accident scenarios, including those involving multiple reactor units on the same site. As the responses to the Fukushima accident, the nuclear power industry developed and implemented a series of strategies, including the Diverse and Flexible Coping Strategies (FLEX), to enhance the coping capacities of nuclear power plants (NPPs) under extreme accidents. This study intends to examine the impact of FLEX strategies on the risk from all the reactor units on the same NPP site, including risks from accidents involving a single unit and from accidents involving multiple units. The fundamental, methodological element of this study is Multi-Unit Probabilistic Risk Assessment (MUPRA), which requires a shift in Probabilistic Risk Assessment (PRA) from a “one-reactor-at-a-time” mindset to a “considering all reactors sharing a site as a unity” one. An integrated modeling approach for multi-unit event sequence development will be leveraged to develop MUPRA model and address the intra-unit and inter-unit dependencies. Systems Analysis Programs for Hands-on Integrated Reliability Evaluations (SAPHIRE), a PRA software developed and maintained by Idaho National Laboratory (INL) for the U.S. Nuclear Regulatory Commission (NRC), will serve as the platform for MUPRA modeling. This study selects Loss Of Offsite Power (LOOP) as a representative initiating event, which may occur on a generic two-unit NPP site and impacts both reactor units on the site. First, an MUPRA model, including multi-unit event trees, will be developed to obtain single-unit and multi-unit accident scenarios. Next, different FLEX strategies will be assumed, including FLEX equipment for a unit cannot be used for another unit, FLEX equipment for multiple units can be used in a cross-connected manner, etc. Lastly, the effectiveness of each postulated FLEX strategy will be evaluated by incorporating the corresponding FLEX equipment and deployment logic in the MUPRA model.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2019

Ion beam sputtering of silicon: Energy distributions of sputtered and scattered ions

The properties of sputtered and scattered ions are studied for ion beam sputtering of Si by bombardment with noble gas ions. The energy distributions in dependence on ion beam parameters (ion energy: 0.5-1 keV; ion species: Ne, Ar, Xe) and geometrical parameters (ion incidence angle, polar emission angle, and scattering angle) are measured by means of energy-selective mass spectrometry. The presence of anisotropic effects due to direct sputtering and scattering is discussed and correlated with process parameters. The experimental results are compared to calculations based on a simple elastic binary collision model and to simulations using the Monte-Carlo code SDTRIMSP . The influence of the contribution of implanted primary ions on energy distributions of sputtered and scattered particles is studied in simulations. It is found that a 10% variation of the target composition leads to detectable but small differences in the energy distributions of scattered ions. Comparison with previously reported data for other ion/target configurations confirms the presence of similar trends and anisotropic effects: The number of high-energy sputtered ions increases with increasing energy of incident ions and decreasing scattering angle. The effect of the ion/target mass ratio is additionally investigated. Small differences are observed with the change of the primary ion species: The closer the mass ratio to unity, the higher the average energy of sputtered ions. Finally, the presence of peaks, assigned to different mechanisms of direct scattering, strongly depends on the ion/target mass ratio.

42 ENGINEERING↗
DOE OSTI2021

Resonant x-ray scattering method for measuring cation stoichiometry in BaSnO 3 thin films

In this study, we develop a resonant scattering technique to measure cation stoichiometry of lanthanum-doped BaSnO 3 (BSO) thin films on a DyScO 3 substrate. Samples are grown by a hybrid molecular beam epitaxy method and display high room-temperature carrier mobilities. The measured thin films are grown with widely differing cation arrival rates, with Ba being evaporated from an elemental source and Sn from a SnO 2 source. Differences in mobilities in these films may arise from differences in Ba/Sn cation stoichiometry. Owing to the similar scattering strength of the Ba and Sn cations, odd-order Bragg peaks of BSO are particularly sensitive to the material's cation stoichiometry, i.e., the Ba/Sn ratio. Sensitivity to cation stoichiometry is further enhanced using the technique of resonant x-ray scattering, which changes the scattering strength of a single element across the Ba L absorption edges. We determine that the Ba/Sn cation stoichiometry varies from unity by less than 1% for films of mobility ranging from 84.8 to 144 cm 2 /(V s) and conclude that the mobility of these films scales with film thickness and growth rate rather than stoichiometry.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Status and prospects for inertial fusion energy via lasers

Fusion energy is the ultimate clean and limitless energy source, but its development requires overcoming many scientific and technological challenges. For the first time in the 60-year long history of fusion research, ignition and target gain above unity (G>1) were demonstrated in the laboratory at the National Ignition Facility at the Lawrence Livermore National Laboratory in 2022. Turning laser fusion into an energy source requires that the results from single shot experiments be replicated at much higher repetition rates of many shots per second to produce high average power at relatively low cost. Furthermore, this requires the development of new laser technologies, mass production of suitable targets, accurate injection and tracking systems and new materials for the reactor chamber components and final optics. Ultra broadband and deep UV light are laser advances that can dramatically improve the laser energy coupling to the target thereby reducing the laser energy and power requirements.

Fusion energy↗
DOE OSTI2017

Observation of ultralong valley lifetime in WSe 2 /MoS 2 heterostructures

The valley degree of freedom in two-dimensional (2D) crystals recently emerged as a novel information carrier in addition to spin and charge. The intrinsic valley lifetime in 2D transition metal dichalcogenides (TMD) is expected to be markedly long due to the unique spin-valley locking behavior, where the intervalley scattering of the electron simultaneously requires a large momentum transfer to the opposite valley and a flip of the electron spin. However, the experimentally observed valley lifetime in 2D TMDs has been limited to tens of nanoseconds thus far. We report efficient generation of microsecond-long-lived valley polarization in WSe 2 /MoS 2 heterostructures by exploiting the ultrafast charge transfer processes in the heterostructure that efficiently creates resident holes in the WSe 2 layer. These valley-polarized holes exhibit near-unity valley polarization and ultralong valley lifetime: We observe a valley-polarized hole population lifetime of more than 1 μs and a valley depolarization lifetime (that is, intervalley scattering lifetime) of more than 40 μs at 10 K. The near-perfect generation of valley-polarized holes in TMD heterostructures, combined with ultralong valley lifetime, which is orders of magnitude longer than previous results, opens up new opportunities for novel valleytronics and spintronics applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Recording interfacial currents on the subnanometer length and femtosecond time scale by terahertz emission

Electron dynamics at interfaces is a subject of great scientific interest and technological importance. Detailed understanding of such dynamics requires access to the angstrom length scale defining interfaces and the femtosecond time scale characterizing interfacial motion of electrons. In this context, the most precise and general way to remotely measure charge dynamics is through the transient current flow and the associated electromagnetic radiation. Here, we present quantitative measurements of interfacial currents on the subnanometer length and femtosecond time scale by recording the emitted terahertz radiation following ultrafast laser excitation. We apply this method to interlayer charge transfer in heterostructures of two transition metal dichalcogenide monolayers less than 0.7 nm apart. We find that charge relaxation and separation occur in less than 100 fs. This approach allows us to unambiguously determine the direction of current flow, to demonstrate a charge transfer efficiency of order unity, and to characterize saturation effects.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Biomineralization: Integrating mechanism and evolutionary history

Calcium carbonate (CaCO 3 ) biomineralizing organisms have played major roles in the history of life and the global carbon cycle during the past 541 Ma. Both marine diversification and mass extinctions reflect physiological responses to environmental changes through time. An integrated understanding of carbonate biomineralization is necessary to illuminate this evolutionary record and to understand how modern organisms will respond to 21st century global change. Biomineralization evolved independently but convergently across phyla, suggesting a unity of mechanism that transcends biological differences. In this review, we combine CaCO 3 skeleton formation mechanisms with constraints from evolutionary history, omics, and a meta-analysis of isotopic data to develop a plausible model for CaCO 3 biomineralization applicable to all phyla. The model provides a framework for understanding the environmental sensitivity of marine calcifiers, past mass extinctions, and resilience in 21st century acidifying oceans. Thus, it frames questions about the past, present, and future of CaCO 3 biomineralizing organisms.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

Electrical suppression of all nonradiative recombination pathways in monolayer semiconductors

Defects in conventional semiconductors substantially lower the photoluminescence (PL) quantum yield (QY), a key metric of optoelectronic performance that directly dictates the maximum device efficiency. Here, two-dimensional transition-metal dichalcogenides (TMDCs), such as monolayer MoS 2 , often exhibit low PL QY for as-processed samples, which has typically been attributed to a large native defect density. We show that the PL QY of as-processed MoS 2 and WS 2 monolayers reaches near-unity when they are made intrinsic through electrostatic doping, without any chemical passivation. Surprisingly, neutral exciton recombination is entirely radiative even in the presence of a high native defect density. This finding enables TMDC monolayers for optoelectronic device applications as the stringent requirement of low defect density is eased.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Retroreflection of Optical Radiation from Ellipsoidal-Porous Surfaces

The retroreflection of optical radiation from surfaces with roughness in the form of ellipsoidal pores and two-level roughness in the form of convex ellipsoids with elliptical-porous surfaces is studied using the ROKS-RG Monte-Carlo method software in the geometrical-optics approximation. The dependence of the retroreflection phase function on the parameters of bodies that simulates the rough surface is analyzed. It is shown that the angular dependence of the retroreflection from porous rough surfaces with arbitrarily oriented pores and the aspect ratio higher than unity is a pronounced peak with concave sides at all incidence angles.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Coulomb Logarithm in Nonideal and Degenerate Plasmas

Various methods for determining the Coulomb logarithm in the kinetic theory of transport and various variants of the choice of the plasma screening constant, taking into account and disregarding the contribution of the ion component and the boundary value of the electron wavevector are considered. The correlation of ions is taken into account using the Ornstein–Zernike integral equation in the hypernetted-chain approximation. It is found that the effect of ion correlation in a nondegenerate plasma is weak, while in a degenerate plasma, this effect must be taken into account when screening is determined by the electron component alone. The calculated values of the electrical conductivity of a hydrogen plasma are compared with the values determined experimentally in the megabar pressure range. It is shown that the values of the Coulomb logarithm can indeed be smaller than unity. Special experiments are proposed for a more exact determination of the Coulomb logarithm in a magnetic field for extremely high pressures, for which electron scattering by ions prevails.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Quantum groups as generalized gauge symmetries in WZNW models. Part II. The quantized model

This is the second part of a paper dealing with the “internal” (gauge) symmetry of the Wess-Zumino-Novikov-Witten (WZNW) model on a compact Lie group G. It contains a systematic exposition, for G = SU(n), of the canonical quantization based on the study of the classical model (performed in the first part) following the quantum group symmetric approach first advocated by L.D. Faddeev and collaborators. The internal symmetry of the quantized model is carried by the chiral WZNW zero modes satisfying quadratic exchange relations and an n-linear determinant condition. For generic values of the deformation parameter the Fock representation of the zero modes’ algebra gives rise to a model space of U{sub q}(sl(n)). The relevant root of unity case is studied in detail for n = 2 when a “restricted” (finite dimensional) quotient quantum group is shown to appear in a natural way. The module structure of the zero modes’ Fock space provides a specific duality with the solutions of the Knizhnik-Zamolodchikov equation for the four point functions of primary fields suggesting the existence of an extended state space of logarithmic CFT type. Combining left and right zero modes (i.e., returning to the 2D model), the rational CFT structure shows up in a setting reminiscent to covariant quantization of gauge theories in which the restricted quantum group plays the role of a generalized gauge symmetry.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Violation of Local Electroneutrality in the Quantum Well of a Semiconductor Laser with Asymmetric Barrier Layers

A self-consistent model for calculating the threshold and high-power characteristics of semiconductor quantum well lasers with asymmetric barrier layers is developed. The model, which is based on a system of rate equations, uses the universal condition of global charge neutrality in the laser structure. The electron and hole concentrations in the waveguide region and in the quantum well (QW) and the concentration of photons of stimulated emission are calculated. The local neutrality in the QW is shown to be strongly violated, especially at high injection currents. The violation of neutrality in a QW makes the electron and hole concentrations there dependent on the injection current under lasing conditions: in the structures under consideration, the electron concentration in the QW decreases while the hole concentration increases with increasing injection current. In the case of the ideal functioning of asymmetric barrier layers, when electron–hole recombination in the waveguide region is completely suppressed, the violation of neutrality in the QW has almost no effect on the dependence of the output optical power on the injection current: the quantum efficiency is close to unity and the light–current characteristic is linear. Nevertheless, the violation of neutrality in the QW causes weakening of the temperature dependence of the threshold current and, hence, an increase in the characteristic temperature T{sub 0} of the laser.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Excitons in PL Spectra of Cu(In,Ga)Se{sub 2} Single Crystals

A photoluminescence (PL) study of Cu(In,Ga)Se{sub 2} (CIGSe) single crystals, (grown by the vertical Bridgman technique) with the [Ga]/[Ga + In] ratio of 7 and 12% and the [Cu]/[In + Ga] ratio greater than unity, as measured by energy dispersive spectroscopy, is presented. Analysis of the excitation intensity and temperature dependence of the PL spectra suggested the excitonic nature of the observed near-band-edge emissions peaks. Free and bound excitons in CIGSe single crystals with both 7 and 12% Ga content are clearly observed, analyzed and identified. An activation energy of 19 meV is determined for the free exciton in the PL spectra of the sample with 12% Ga. The presence of the excitons demonstrated a high structural quality of the material.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Efficient Broadband Terahertz Radiation Detectors Based on Bolometers with a Thin Metal Absorber

The matrix method has been used to calculate the coefficients of absorption of terahertz radiation in conventional (with radiation incident from vacuum adjacent to the bolometer) and inverted (with radiation incident from the substrate on which the bolometer was fabricated) bolometric structures. Near-unity absorption coefficients were obtained when an additional cavity in the form of a gap between the bolometer and the input or output window was introduced. Conventional bolometers then became narrowband, while inverted-type devices remained broadband.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Resonance Tunneling of Electromagnetic Waves for Enhancing the Efficiency of Bolometric Photodetectors

A method for enhancing the efficiency of bolometric photodetectors is presented. The method utilizes the analogy between the process of tunneling of a flux of quantum particles through a potential barrier and the propagation of electromagnetic waves within a nontransparent medium. The calculation results demonstrate that the fraction of radiation absorbed in a detector at a certain IR frequency may be close to unity if one chooses the right thickness and permittivity of the resonator substrate below a thin metal (superconductor) layer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Heat and Particle Transport in the Initial Phase of Ohmic Discharges in the Globus-M Spherical Tokamak

The results of experiments and simulations of the transport of heat and particles in the Globus-M spherical tokamak are presented. Investigations were carried out in the ohmic mode in hydrogen and deuterium plasma. It is shown that in the phase of current growth under the same initial conditions, as long as the condition is met at which the minimum of the safety factor exceeds unity, two scenarios of discharge development are possible: with an electron temperature dive or with an electron density peak. After the safety factor reaches the value of 1, the differences are no longer observed. Modeling of transport processes using the ASTRA code showed that the dive of the electron temperature and density is a consequence of the decrease in the transport of heat and particles in the plasma core (i.e., the presence of internal transport barriers).

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Two photon exchange with nuclei from $e^+/e^-$ elastic cross section ratios

Hadronic box diagrams pose a significant source of radiative corrections to lepton scattering and β -decay measurements, yet their calculation remains highly model-dependent. Two-photon exchange is a box diagram generally relevant to most lepton scattering experiments, and is directly detectable via multiple observables. Single-spin asymmetries (SSA) are sensitive to the imaginary part of the TPE amplitude, while the ratio of $e^+/e^-$ elastic scattering cross sections is sensitive to the real part of the TPE amplitude. While SSA measurements have been reported for several complex nuclei, measurements of the $e^+/e^-$ ratio exist only for the proton. Proposed here is a measurement of the $e^+/e^-$ ratio on 4 He, a feasible nuclear target for which the ratio’s deviation from unity due to TPE is expected to be on order of 1–2%. Choosing a low Z nucleus minimizes Coulomb distortions, which could greatly overwhelm TPE for heavier nuclei. The proposed 19-day program, including measurements at three kinematic settings between 0.3 < Q 2 < 0.4 GeV 2 , would be made possible by the addition of a positron source at Jefferson Lab.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗