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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 739 records · Page 41

Spatiotemporal flame propagations, combustion and solid particle emissions from lean and stoichiometric gasoline direct injection engine operation

Increased particle number and mass emissions in gasoline direct injection (GDI) engines should require to investigate in-cylinder flame and combustion characteristics associated with primary source of particle emissions. In this article, in-cylinder spatiotemporal flame luminosity is quantitatively characterized to features combustion process and solid particle emissions from a GDI engine operating in two lean and one stoichiometric modes. Low- and high-steady state operating points were used to compare combustion strategies on flame development and emission characteristics. A fiber-optic sensor composed of eight measurement channels detected the flame front and the direction of the flame propagation in the combustion chamber. Solid particle emissions in the exhaust were measured using an engine exhaust particle sizer and a micro soot sensor. Results of the experiments showed that two lean combustion modes by injection strategies resulted in distinct combustion and flame development. Lean combustion modes generated high diffusion flame by burning stratified rich-mixture. Although the lean cases resulted in strong diffusion flames, the lean-homogeneous produced similar particle size distributions with the stoichiometric mode with high ash particles. Piston pool fires on the piston surface in the lean-stratified mode induced a large accumulation mode with high particle mass concentrations.

42 ENGINEERING↗

Crystal growth and anisotropic thermal properties of the nonlinear and polar oxide Cs{sub 2}TeW{sub 3}O{sub 12}

Large crystal of the nonlinear optical and polar oxide Cs{sub 2}TeW{sub 3}O{sub 12} with a size of 20×15×4 mm{sup 3} has been grown by the top-seeded solution growth (TSSG) method. This crystal can be thermally stable up to 808 °C and melts incongruently. It possesses a large transparent range of 0.415–5.250 μm. Thermal properties, including thermal expansion, specific heat, thermal diffusivity and thermal conductivity were investigated. The average linear thermal expansion coefficients were calculated based on the measurement in the temperature range of 30–390 °C. It exhibits strong anisotropic thermal expansion which was discussed according to the relationships between the structure and thermal properties. Furthermore, laser-induced damage threshold has been estimated to be 591.28 MW/cm{sup 2} with a laser wavelength of 1064 nm and pulse duration of 8 ns. - Graphical abstract: The crystallization region of Cs{sub 2}TeW{sub 3}O{sub 12} single-phase in the quasi-ternary Cs{sub 2}TeW{sub 3}O{sub 12}–TeO{sub 2}–Cs{sub 2}O system has been investigated. And Cs{sub 2}TeW{sub 3}O{sub 12} large crystal has been grown by the top-seeded solution growth method. - Highlights: • The crystallization region of Cs{sub 2}TeW{sub 3}O{sub 12} in Cs{sub 2}TeW{sub 3}O{sub 12}–TeO{sub 2}–Cs{sub 2}O system has been investigated. • Large Cs{sub 2}TeW{sub 3}O{sub 12} crystal has been grown. • Cs{sub 2}TeW{sub 3}O{sub 12} possesses a large transparent range of 0.415–5.250 μm. • Cs{sub 2}TeW{sub 3}O{sub 12} possesses large laser-induced damage threshold of 591.28 MW/cm{sup 2}. • Detialed thermal properties have been investigated.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Violation of Ohm’s law in a Weyl metal [A hallmark of the Weyl metal state: Breakdown of Ohm's law]

Ohm’s law is a fundamental paradigm in the electrical transport of metals. Any transport signatures violating Ohm’s law would give an indisputable fingerprint for a novel metallic state. Here, we uncover the breakdown of Ohm’s law owing to a topological structure of the chiral anomaly in the Weyl metal phase. We observe nonlinear I–V characteristics in Bi 0.96 Sb 0.04 single crystals in the diffusive limit, which occurs only for a magnetic-field-aligned electric field (E∥B). The Boltzmann transport theory with the charge pumping effect reveals the topological-in-origin nonlinear conductivity, and it leads to a universal scaling function of the longitudinal magnetoconductivity, which completely describes our experimental results. Furthermore, as a hallmark of Weyl metals, the nonlinear conductivity provides a venue for nonlinear electronics, optical applications, and the development of a topological Fermi-liquid theory beyond the Landau Fermi-liquid theory.

36 MATERIALS SCIENCE↗

Direct Cation Exchange in Monolayer MoS 2 via Recombination-Enhanced Migration

In addition to their unique optical and electronic properties, two-dimensional materials provide opportunities to directly observe atomic-scale defect dynamics. Here we use scanning transmission electron microscopy to observe substitutional Re impurities in monolayer MoS 2 undergo direct exchanges with neighboring Mo atoms in the lattice. Density-functional-theory calculations find that the energy barrier for direct exchange, a process that has only been studied as a diffusion mechanism in bulk materials, is too large for either thermal activation or energy directly transferred from the electron beam. The presence of multiple sulfur vacancies next to the exchanged Re-Mo pair, as observed by electron microscopy, does not lower the energy barrier sufficiently to account for the observed atomic exchange. Instead, the calculations find that a Re dopant and surrounding sulfur vacancies introduce an ever-changing set of deep levels in the energy gap. We propose that these levels mediate an “explosive” recombination-enhanced migration via multiple electron-hole recombination events. As a proof of concept, we also show that Re-Mo direct exchange can be triggered via controlled creation of sulfur vacancies. The present experimental and theoretical findings lay a fundamental framework towards manipulating single substitutional dopants in two-dimensional materials.

36 MATERIALS SCIENCE↗

Stable Rate of Slip Along the Karakax Section of the Altyn Tagh Fault from Observation of Interglacial and Postglacial Offset Morphology and Surface Dating

Digital elevation maps obtained using TanDEM-X and Pleiades data combined with newly obtained surface age estimates using cosmogenic radionuclide (CRN) and optically simulated luminescence (OSL) methods are used to quantify the slip rate along the western section of the Altyn Tagh Fault in southern Xinjiang. The reconstruction of the conical shape of massive alluvial fans inferred to be from the Eemian (115±7 ka) from CRN dating shows consistent left-lateral offsets of 300±20 m, yielding a slip rate of 2.6±0.3 mm/year. Successive episodes of incision have left cut terraces inset in wide canyons, 10–25 m below the fans' surface. The incision was followed by the deposition of a broad terrace of early Holocene age, which is reincised by modern stream channels. Near the village of Shanxili, a 200 m wide valley is partially dammed by a shutter ridge displaced by the fault. A fill terrace deposited upstream from the ridge has an OSL age of 8.8±0.6 ka. The 23±2 m offset of the riser incising the terrace indicates a minimum postdepositional movement on the fault, yielding a Holocene rate of 2.6±0.5 mm/year, consistent with the 115-ka average slip rate. Furthermore, scarp degradation analysis using mass diffusion reveals a nonlinear relationship between fault displacement and degradation coefficient along the progressively exposed fault scarp, a pattern suggesting either seismic clustering or variable diffusion rate since the Eemian. Together with the Gozha Co-Longmu Co fault to the south, the Karakax section of the Altyn Tagh Fault contributes to the eastward movement of the western corner of Tibet.

58 GEOSCIENCES↗

Ruthenium Dye Excitations and Relaxations in Natural Sunlight

Solar harvesting devices using dyes convert the sun's energy to usable forms. The photophysics involved are generally investigated using time-resolved spectroscopic experiments with femtosecond to nanosecond resolution. We show that a kinetic framework constructed from transient and linear absorption measurements of metal-ligand charge transfer states for a set of ruthenium complexes in solution can be used to simulate the steady-state dynamics of dyes adsorbed on a substrate under diffuse solar radiation. Even though the intensity of sunlight is relatively low, double excitations to higher excited states can occur. The steady-state populations show that the dyes' triplet state is the main species present besides the ground state. While small, these persistent excited populations can influence reactivity over the extended periods of time that the systems operate. The results show that non-radiative and optical events (dye -1 s -1 ) within the singlet manifold and from the triplet state exhibit a dependence on ligand substituents.

14 SOLAR ENERGY↗

Thermal stability of deep level defects induced by high energy proton irradiation in n-type GaN

The impact of annealing of proton irradiation-induced defects in n-type GaN devices has been systematically investigated using deep level transient and optical spectroscopies. Moderate temperature annealing (>200–250 °C) causes significant reduction in the concentration of nearly all irradiation-induced traps. While the decreased concentration of previously identified N and Ga vacancy related levels at E{sub C} − 0.13 eV, 0.16 eV, and 2.50 eV generally followed a first-order reaction model with activation energies matching theoretical values for N{sub I} and V{sub Ga} diffusion, irradiation-induced traps at E{sub C} − 0.72 eV, 1.25 eV, and 3.28 eV all decrease in concentration in a gradual manner, suggesting a more complex reduction mechanism. Slight increases in concentration are observed for the N-vacancy related levels at E{sub C} − 0.20 eV and 0.25 eV, which may be due to the reconfiguration of other N-vacancy related defects. Finally, the observed reduction in concentrations of the states at E{sub C} − 1.25 and E{sub C} − 3.28 eV as a function of annealing temperature closely tracks the detailed recovery behavior of the background carrier concentration as a function of annealing temperature. As a result, it is suggested that these two levels are likely to be responsible for the underlying carrier compensation effect that causes the observation of carrier removal in proton-irradiated n-GaN.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Oxygen vacancy dynamics in monoclinic metallic VO 2 domain structures

It was demonstrated recently that the nano-optical and nanoelectronic properties of VO 2 can be spatially programmed through the local injection of oxygen vacancies by atomic force microscope writing. In this work, we study the dynamic evolution of the patterned domain structures as a function of the oxygen vacancy concentration and the time. A threshold doping level is identified that is critical for both the metal–insulator transition and the defect stabilization. The diffusion of oxygen vacancies in the monoclinic phase is also characterized, which is directly responsible for the short lifetimes of sub-100 nm domain structures. This information is imperative for the development of oxide nanoelectronics through defect manipulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Cross-sectional transport imaging in a multijunction solar cell

Here, we combine a highly localized electron-beam point source excitation to generate excess free carriers with the spatial resolution of optical near-field imaging to map recombination in a cross-sectioned multijunction (Ga 0.5 In 0.5 P/GaIn 0.01 As/Ge) solar cell. By mapping the spatial variations in emission of light for fixed generation (as opposed to traditional cathodoluminescence (CL), which maps integrated emission as a function of position of generation), it is possible to directly monitor the motion of carriers and photons. We observe carrier diffusion throughout the full width of the middle (GaInAs) cell, as well as luminescent coupling from point source excitation in the top cell GaInP to the middle cell. Supporting CL and near-field photoluminescence (PL) measurements demonstrate the excitation-dependent Fermi level splitting effects that influence cross-sectioned spectroscopy results, as well as transport limitations on the spatial resolution of conventional cross-sectional far-field measurements.

14 SOLAR ENERGY↗

Control-Affine Schrödinger Bridge and Generalized Bohm Potential

From a stochastic control perspective, the Schrödinger bridge is a density-valued continuous curve parameterized by time that connects a given pair of initial and terminal probability densities via minimum effort controlled Brownian motion. The control-affine Schrödinger bridge extends this idea to a generic control-affine Itô diffusion, possibly with an additive state cost. Here, in this letter, we recast the necessary conditions of optimality for the control-affine Schrödinger bridge problem as a two point boundary value problem for a quantum mechanical Schrödinger PDE with complex potential. This complex-valued potential is a generalization of the real-valued Bohm potential in quantum mechanics. Our derived potential is akin to the optical potential in nuclear physics where the real part of the potential encodes elastic scattering (transmission of wave function), and the imaginary part encodes inelastic scattering (absorption of wave function). The key takeaway is that the process noise that drives the evolution of probability densities induces an absorbing medium in the evolution of wave function. These results make new connections between control theory and non-equilibrium statistical mechanics through the lens of quantum mechanics.

Markov processes↗

MULTI-PRED: A Software Module for Predictive Modeling of Coupled Multi-Physics Systems: User's Manual

This User’s Manual describes the code module MULTI-PRED, written in FORTRAN which implements the methodology for “predictive modeling of coupled multi-physics systems (PM-CMPS)” formulated by Cacuci (2014). This methodology fully takes into account the coupling terms between the systems but requires only the computational resources that would be needed to perform predictive modeling on each system separately. The PM-CMPS methodology uses the maximum entropy principle to construct an optimal approximation of the unknown a priori distribution based on a priori known mean values and uncertainties characterizing the experimental and computational parameters and results of interest responses, called for the multi-physics models under consideration. This “maximum entropy” a priori distribution is combined, using Bayes’ theorem, with the “likelihood” provided by the multi-physics simulation models to obtain a formal posterior distribution. Subsequently, the posterior distribution thus obtained is evaluated using the saddle-point method to obtain analytical expressions for the optimally predicted values for the multi-physics models parameters and responses along with corresponding reduced uncertainties. Noteworthy, the predictive modeling methodology for the coupled systems is constructed such that the systems can be considered sequentially rather than simultaneously, while preserving exactly the same results as if the systems were treated simultaneously. Consequently, very large coupled systems, which could perhaps exceed available computational resources if treated simultaneously, can be treated with the PM-CMPS methodology presented in this work sequentially and without any loss of generality or information, requiring just the resources that would be needed if the systems were treated sequentially. Three illustrative demonstration problems are also provided. The first problem presents the application of the PM-CMPS methodology to a simple particle diffusion problem which admits a closed-form analytical solution which facilitates a rapid understanding of this methodology and its predicted results. The second demonstration problem presents the application of the PM-CMPS methodology to the problem of inverse prediction, from detector responses in the presence of counting uncertainties, of the thickness of a homogeneous slab of material containing uniformly distributed gamma-emitting sources, for optically thin and thick slabs. This problem highlights the essential role played by the relative uncertainties (or, conversely, accuracies) of measured and computed responses. The third demonstration problem presents the application of the PM-CMPS methodology to the F-area cooling towers at the Savannah River National Lab. This problem demonstrates that the PM-CMPS methodology reduces the predicted response uncertainties not only at locations where measurements are available, but also at locations where measurements are not available.

97 MATHEMATICS AND COMPUTING↗

Synchrotron-driven Instabilities in Relativistic Plasmas of Arbitrary Opacity

Recent work has shown that synchrotron emission from relativistic plasmas leads the electron distribution to form an anisotropic ring in momentum space, which can be unstable to both kinetic and hydrodynamic instabilities. Fundamental to these works was the assumption that the plasma was optically thin, allowing all emitted radiation to escape. Here, we examine the behavior of these instabilities as the plasma becomes more optically thick. To do this, we extend a recently developed Fokker–Planck operator for synchrotron emission and absorption in mildly relativistic plasmas to ultrarelativistic plasmas. For a given set of plasma parameters, photons emitted by higher-energy electrons tend to be higher frequency, and thus more easily escape the plasma. As a result, the ratio of the photon emission rate (radiative drag) to absorption rate (radiative diffusion) for a given electron is extremely energy dependent. Given this behavior, we determine the critical parameters that control the opacity, and show how the plasma gradually transitions to become more isotropic and stable at higher opacity.

79 ASTRONOMY AND ASTROPHYSICS↗

Thermal Desorption of Tritium from Fluoride Salt-Cooled Reactor Materials

The fluoride-salt-cooled high-temperature reactor (FHR) is a high-temperature fission reactor concept involving a liquid fluoride salt coolant, coated particle fuel, and enhanced passive safety mechanisms. Utilizing a low-pressure coolant and high temperature fuel allows for smaller reactor buildings and use of gas Brayton power cycles for higher efficiency in electricity production. One of the fluoride salts being considered for the FHR coolant is 2LiF - BeF{sub 2} (flibe). Tritium is generated frequently in flibe from thermal neutron transmutation of Li-6 and Be-9. Tritium retention in irradiated structural materials presents a challenge to the design of the FHR; high neutron fluence can induce significant material damage and alteration of microstructures to trap tritium in the structure, particularly in carbon-based materials (such as steels). Investigation of tritium transport in flibe salt and structural materials is also critical to evaluating mass balance of tritium in a system for quantifying leakage of tritium to the environment. It is important to understand the uptake of tritium in these proposed core materials since the transport of tritium within an FHR is of critical concern for operational safety due to corrosion, and to prevent tritium release into the environment. The presence of TF corrodes stainless steel by oxidizing chromium. Tritium gas (T{sub 2}) easily diffuses through reactor materials and can be released into the environment through the primary piping and heat exchangers. There is great interest in identifying materials that are compatible with the FHR environment that can be used to getter tritium from the salt, or to inhibit the diffusion of tritium to prevent its release into the environment. As part of the FHR Integrated Research Project (IRP), capsules containing proposed core materials immersed in flibe salt were irradiated at 700 deg. C for 1000 hours (FS-1) and 300 hours (FS-2) in the MIT Research Reactor (MITR). During irradiation, tritium is produced in the salt, and then interacts with the other materials in the capsule. Measurements of the effluent gas during the FHR IRP irradiation experiments indicated that less than 1% of the tritium generated in the salt escaped in the gas phase. It is assumed that most of the tritium was captured, either via diffusion or surface adsorption, on the materials inside the capsule. Tritium frequently adsorbs to sample surfaces in the form of HTO, which requires relatively low temperatures to release (on the order of 100 deg. C). In certain cases, tritium can be bound in the bulk of materials from diffusion or neutron transmutation of lithium and beryllium in the structural materials. Accurate measurement of very small concentrations of hydrogen is difficult; by taking advantage of the radioactive decay of tritium (which emits low-energy beta radiation), several methods become available to detect and quantitatively measure the tritium. The most sensitive method is liquid scintillation counting (LSC), which requires the tritium to be suspended in optically-transparent liquid media that is compatible with scintillating solution, such as water. This measurement technique requires the tritium to be extracted from the material, which can be achieved through leaching into water, thermal desorption, or complete destruction of the sample by acid digestion or pyrolysis. A less destructive method is preferred in order to preserve the specimens, reduce the generation of radioactive mixed wastes, and minimize the carryover of other activation products. For total thermal desorption of tritium from the materials, the tritiated materials must be heated to temperatures in excess of 300 deg. C. Heating the specimens above the irradiation temperature will re-mobilize the tritium and allow it to be captured from the gas stream directly into LSC media. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Raman Spectroscopy to Detect and Measure NOW Pheromones

Insect sex pheromones are chemical compounds that insects release to attract mates over distances of hundreds of meters or even kilometers, in complete darkness and without any audible signals. Use of synthetic forms of key compounds have in some cases become an essential component of monitoring and/or managing key pests of agricultural crops, including navel orangeworm (Amyelois transitella) (NOW) in California tree nuts. There are currently multiple commercially available mating disruption products available for NOW and recent studies have demonstrated that they can effectively help reducing crop damage. How mating disruption works is not fully established and likely varies across products and target species. For instance, it is not well understood how synthetic pheromones compete with natural ones and, in the case of monitoring, how efficaciously the insect follows the diffusing plumes and how those evolve from emission points, especially across large blocks and at plot borders.

47 OTHER INSTRUMENTATION↗

Development of arsenic doped Cd(Se,Te) absorbers by MOCVD for thin film solar cells

Recent developments in CdTe solar cell technology have included the incorporation of ternary alloy Cd(Se,Te) in the devices. CdTe absorber band gap grading due to Se alloying contributes to current density enhancement and can result in device performance improvement. Here we report Cd(Se,Te) polycrystalline thin films grown by a chamberless inline atmospheric pressure metal organic chemical vapour deposition technique, with subsequent incorporation in CdTe solar cells. The compositional dependence of the crystal structure and optical properties of Cd(Se,Te) are examined. Selenium graded Cd(Se,Te)/CdTe absorber structure in devices are demonstrated using either a single CdSe layer or CdSe/Cd(Se,Te) bilayer (with or without As doping in the Cd(Se,Te) layer). Cross-sectional TEM/EDS, photoluminescence spectra and secondary ion mass spectroscopy analysis confirmed the formation of a graded Se profile toward the back contact with a diffusion length of ~1.5 um and revealed back-diffusion of Group V (As) dopants from the CdTe layer into Cd(Se,Te) grains. Due to the strong Se/Te interdiffusion, CdSe in the Se bilayer configuration was unable to form an n-type emitter layer in processed devices. In situ As doping of the Cd(Se,Te) layer benefited the device junction quality with current density reaching 28.3 mA/cm 2 . The results provide useful insights for the optimisation of Cd(Se,Te)/CdTe solar cells.

14 SOLAR ENERGY↗

Three-dimensional Boltzmann-hydro Code for Core-collapse in Massive Stars. III. A New Method for Momentum Feedback from Neutrino to Matter

We present a new method for neutrino-matter coupling in multi-dimensional radiation-hydrodynamic simulations of core-collapse supernovae (CCSNe) with the full Boltzmann neutrino transport. This development is motivated by the fact that accurate conservation of momentum is required for reliable numerical modelings of CCSN dynamics including a recoil of proto-neutron stars (PNSs). The new method is built on a hybrid approach in which we use the energy-momentum tensor of neutrinos to compute the momentum feedback from neutrino to matter in the optically thick region while we employ the collision term in the optically thin region. In this method we utilize a general relativistic description of radiation-hydrodynamics with angular moments, which allows us to evaluate the momentum feedback from neutrino to matter without inconsistency with our Boltzmann solver. We demonstrate that the new method substantially improves the accuracy of linear momentum conservation in our CCSN simulations under reasonable angular resolutions in momentum space, alleviating the difficulty in giving the diffusion limit precisely with the discrete ordinate ($S_n$) method. It is the first ever demonstration that the PNS kick can be handled directly and properly in multi-dimensional radiation-hydrodynamic simulations with the full Boltzmann neutrino transport.

79 ASTRONOMY AND ASTROPHYSICS↗

Fiber-Coupled Multipass NIR Sensor for In Situ, Real-Time Water Vapor Outgassing Monitoring

This work presents the recent development of a fiber-coupled multipass near-infrared (NIR) gas sensor used to monitor water vapor desorption of small material coupons. The gas sensor design employs a White cell topology to maximize the optical path length over a compact, hand-size footprint. Water vapor concentrations are quantified over a large dynamic range by simultaneously applying wavelength modulation and tunable diode laser absorption spectroscopy techniques. A custom headspace optimized for material desorption experiments is assembled using commercially available vacuum chamber components. We provide in situ measurements of water vapor desorption from two geometries of the industrially important silicone elastomer Sylgard-184 as a case study for sensor viability. To corroborate the results, the gas sensor data are compared to numerical simulations based on a triple-mode diffusion–sorption model, consisting of Henry, Langmuir, and Pooling modes.

gas sensor↗