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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 865 records · Page 48

Acoustic Reduction Of Separation Of Flow

Report discusses experiments in use of acoustic excitation to reduce separation of two-dimensional laminar flow about airfoils at low angles of attack. Purpose of investigation to gain better understanding of effect of excitation, scaling of parameters of excitation, and ranges of frequencies in which excitation reduces separation effectively.

Zaman, K. B. M. Q.↗

Structural changes caused by radiation-induced reduction and radiolysis: the effect of X-ray absorbed dose in a fungal multicopper oxidase

Radiation-induced reduction, radiolysis of copper sites and the effect of pH value together with the concomitant geometrical distortions of the active centres were analysed in several fungal (C. gallica) laccase structures collected at cryotemperature. This study emphasizes the importance of careful interpretation when the crystallographic structure of a metalloprotein is described. X-ray radiation induces two main effects at metal centres contained in protein crystals: radiation-induced reduction and radiolysis and a resulting decrease in metal occupancy. In blue multicopper oxidases (BMCOs), the geometry of the active centres and the metal-to-ligand distances change depending on the oxidation states of the Cu atoms, suggesting that these alterations are catalytically relevant to the binding, activation and reduction of O{sub 2}. In this work, the X-ray-determined three-dimensional structure of laccase from the basidiomycete Coriolopsis gallica (Cg L), a high catalytic potential BMCO, is described. By combining spectroscopic techniques (UV–Vis, EPR and XAS) and X-ray crystallography, structural changes at and around the active copper centres were related to pH and absorbed X-ray dose (energy deposited per unit mass). Depletion of two of the four active Cu atoms as well as low occupancies of the remaining Cu atoms, together with different conformations of the metal centres, were observed at both acidic pH and high absorbed dose, correlating with more reduced states of the active coppers. These observations provide additional evidence to support the role of flexibility of copper sites during O{sub 2} reduction. This study supports previous observations indicating that interpretations regarding redox state and metal coordination need to take radiation effects explicitly into account.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Noise reduction for transonic blade-vortex interactions

Several ideas for noise reduction of transonic blade-vortex interactions (BVI) are being introduced and tested using numerical simulation. The model used is the two-dimensional high frequency transonic small disturbance equation with regions of distributed vorticity (VTRAN2 code). The far-field noise signals are obtained by using the Kirchhoff method which extends the numerical two-dimensional near-field aerodynamic results to the linear acoustic three-dimensional far-field. The BVI noise mechanisms are explained and the effects of vortex type and strength, and angle of attack are studied. Particularly, airfoil shape modifications which lead to noise reduction are investigated here. The results presented are expected to be helpful for better understanding of the nature of the BVI noise and better blade design.

Xue, Y.↗

Complexity reduction of collisional-radiative kinetics for atomic plasma

Thermal non-equilibrium processes in partially ionized plasmas can be most accurately modeled by collisional-radiative kinetics. This level of detail is required for an accurate prediction of the plasma. However, the resultant system of equations can be prohibitively large, making multi-dimensional and unsteady simulations of non-equilibrium radiating plasma particularly challenging. In this paper, we present a scheme for model reduction of the collisional-radiative kinetics, by combining energy levels into groups and deriving the corresponding macroscopic rates for all transitions. Although level-grouping is a standard approach to this type of problem, we provide here a mechanism for achieving higher-order accuracy by accounting for the level distribution within a group. The accuracy and benefits of the scheme are demonstrated for the generic case of atomic hydrogen by comparison with the complete solution of the master rate equations and other methods.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Two-plasmon decay mitigation in direct-drive inertial-confinement-fusion experiments using multilayer targets

Multilayer direct-drive inertial-confinement-fusion (ICF) targets are shown to significantly reduce two-plasmon-decay (TPD) driven hot-electron production while maintaining high hydrodynamic efficiency. Implosion experiments on the OMEGA Laser used targets with silicon layered between an inner beryllium and outer silicon-doped plastic ablator. A factor of five reduction in hot-electron generation (> 50 keV) was observed in the multilayer targets relative to pure CH targets. Three-dimensional simulations of the TPD driven hot-electron production using a laser-plasma interaction code (LPSE) that includes nonlinear and kinetic effects show excellent agreement with the measurements. As a result, the simulations suggest that the reduction in hot-electron production observed in the multilayer targets is primarily due to increased electron-ion collisional damping.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Long life nickel electrodes for a nickel-hydrogen cell. III - Results of an accelerated test and failure analyses

Nineteen different designs of nickel electrodes were tested in Ni/H2 boiler plate cells in an accelerated low earth orbit cycle regime to the end of their life. The failure analyses of these cells showed that the major performance changes due to the cycling was a severe reduction of their high rate discharge capability rather than an absolute capacity reduction. Many physical changes of the nickel electrodes were observed after the cycling test. These changes include dimensional expansion, sinter rupture, loose black powdering of the active material, morphology changes, active material migration, increase of pore volume, change of pore distribution, and increase of surface area. All of these were caused by active material expansion with cycling. Among these changes, the morphology change which involves migration of active material away from the current collecting nickel sinter appears to be that most responsible for the reduction of the rate capability.

Lim, H. S.↗

Fabrication and single-electron-transfer operation of a triple-dot single-electron transistor

A triple-dot single-electron transistor was fabricated on silicon-on-insulator wafer using pattern-dependent oxidation. A specially designed one-dimensional silicon wire having small constrictions at both ends was converted to a triple-dot single-electron transistor by means of pattern-dependent oxidation. The fabrication of the center dot involved quantum size effects and stress-induced band gap reduction, whereas that of the two side dots involved thickness modulation because of the complex edge structure of two-dimensional silicon. Single-electron turnstile operation was confirmed at 8 K when a 100-mV, 1-MHz square wave was applied. Monte Carlo simulations indicated that such a device with inhomogeneous tunnel and gate capacitances can exhibit single-electron transfer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Microstructural evolution of nanocrystalline Fe–Zr alloys upon annealing treatment

Nanocrystalline Fe–Zr alloys exhibit an extraordinary thermal stability at elevated temperatures, which enables their potential applications in various fields. However, there remain concerns regarding the controlling stabilization mechanisms responsible for their thermal stability. In this work, two nanocrystalline Fe–Zr alloys containing 1 at.% Zr and 5 at.% Zr were annealed at various temperatures (T{sub ann}) up to 900 °C. Microstructural evolution of the alloys upon annealing was investigated by means of an X-ray diffractometer equipped with a 2-dimensional detector and transmission electron microscopy. Below 600 °C, microstructures of the two alloys consist of single nanocrystalline ferrite whose grain size is rather stable upon annealing treatments. Above 600 °C, accompanying the precipitation of Fe{sub 3}Zr phase, an apparent grain coarsening of ferrite is observed, whereas the thermal stability of the alloys is still considerably higher than that of nanocrystalline pure Fe. Based on the experimental results, it was claimed that stabilization of the nanocrystalline Fe–Zr alloys should not be totally ascribed to the thermodynamic stabilization mechanism due to the reduction in grain boundary energy as suggested in earlier investigations [K.A. Darling et al., Scr. Mater. 59 (2008) 530 and K.A. Darling et al., Mater. Sci. Eng. A527 (2010) 3572]; when T{sub ann} is higher than 600 °C, along with the precipitation of Fe{sub 3}Zr, the effect of thermodynamic stabilization is weakened, the kinetic effect arising from Zener pinning of Fe{sub 3}Zr precipitates turns to be an important mechanism contributing to the stabilization of the nanoscale grain size. - Highlights: • We show clear evidence of precipitation of Fe{sub 3}Zr phase above 600 °C. • Stabilization of nanostructure is not solely controlled by thermodynamic mechanism. • Above 600 °C, Zener pinning plays an important role in stabilizing nanostructure.

36 MATERIALS SCIENCE↗

Compressed sparse tensor based quadrature for vibrational quantum mechanics integrals

A new method for fast evaluation of high dimensional integrals arising in quantum mechanics is proposed. Here, the method is based on sparse approximation of a high dimensional function followed by a low-rank compression. In the first step, we interpret the high dimensional integrand as a tensor in a suitable tensor product space and determine its entries by a compressed sensing based algorithm using only a few function evaluations. Secondly, we implement a rank reduction strategy to compress this tensor in a suitable low-rank tensor format using standard tensor compression tools. This allows representing a high dimensional integrand function as a small sum of products of low dimensional functions. Finally, a low dimensional Gauss–Hermite quadrature rule is used to integrate this low-rank representation, thus alleviating the curse of dimensionality. Finally, numerical tests on synthetic functions, as well as on energy correction integrals for water and formaldehyde molecules demonstrate the efficiency of this method using very few function evaluations as compared to other integration strategies.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

On the multistream approach of relativistic Weibel instability. I. Linear analysis and specific illustrations

A one-dimensional multistream formalism is extended for the study of temperature anisotropy driven Weibel-type instabilities in collisionless and relativistic plasma. The formulation is based on a Hamiltonian reduction technique using the invariance of generalized canonical momentum in transverse direction. The Vlasov-Maxwell model is expressed in terms of an ensemble of one-dimensional Vlasov-type equations, coupled together with the Maxwell equations in a self-consistent way. Although the model is fundamentally nonlinear, this first of three companion papers focuses on the linear aspect. Dispersion relations of the Weibel instability are derived in the linear regime for different kinds of polarization of the electromagnetic potential vector. The model allows new unexpected insights on the instability: enhanced growth rates for the Weibel instability are predicted when a dissymmetric distribution is considered in p{sub ⊥}. In the case of a circular polarization, a simplification of the linear analysis can be obtained by the introduction of the “multiring” approach allowing to extend the analytical model of Yoon and Davidson [Phys. Rev. A 35, 2718 (1987)]. Applications of this model are left to the other two papers of the series where specific problems are addressed pertaining to the nonlinear and relativistic dynamics of magnetically trapped particles met in the saturation regime of the Weibel instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Closure of Internal Porosity in Continuous Casting Bloom During Heavy Reduction Process

To investigate the closure behavior of internal porosity (also referred to as internal void) in continuous casting bloom during heavy reduction (HR) and thus provide theoretical guidance for minimizing this kind of internal defect more effectively with HR, a three-dimensional (3D) mechanical model was developed based on the predicted temperature field by a 2D heat transfer model. With this 3D mechanical model, closure behaviors of internal porosity in continuous casting bloom during HR at and after the strand solidification end under different process conditions were numerically studied. It was found that the void axis length decreased significantly along the bloom thickness direction and increased slightly along the casting and bloom width directions after HR, and the influence of the initial void size on the void closure was not obvious. With a decrease of temperature difference between the bloom surface and center, HR efficiency for minimizing internal void decreased, while the required reduction force significantly increased. Compared with blooms with a uniform temperature distribution of 1100 °C, the void closure index after HR implemented at the strand solidification end was increased by ~ 25 pct. Compared with a conventional flat roll, the application of a convex roll during HR could contribute to minimizing the internal porosity more effectively and significantly enhance the reduction capacity of the withdrawal and straightening units. The void closure index of η{sub s} and η{sub v} (where η{sub s} and η{sub v} were defined based on the variation of the void aspect ratio and the void volume, respectively) was closely related to the equivalent strain (ε{sub eq}) and the hydrostatic integration parameter (Q), respectively, and two mathematical equations were derived to quantitatively describe the relationship of η{sub s} − ε{sub eq} and η{sub v} − Q.

36 MATERIALS SCIENCE↗

Low-Dimensional Contact Layers for Enhanced Perovskite Photodiodes

Controlling defects and energy-band alignments are of paramount importance to the development of high-performance perovskite-based photodiodes. Yet, concurrent improvements in interfacial contacts and defect reduction simply by tailoring bottom contacts have not been investigated. An effective strategy is reported that can simultaneously improve energy-band alignments and structural defects by introducing low-dimensional contact (LDC) layers at the bottom interface. It is found that LDC-based perovskites considerably suppress undesirable structural defects induced by microstrains, resulting in reduced nonradiative recombination centers and improved carrier lifetimes. Additionally, the resulting LDC-based interface structures help block minority carrier injection from the electrodes by forming built-in electric fields. As a consequence, LDC-based perovskite photodiodes showed improved light detection capabilities. Finally, the result opens an avenue to yield highly efficient photodiodes.

36 MATERIALS SCIENCE↗

Accuracy of the explicit energy-conserving particle-in-cell method for under-resolved simulations of capacitively coupled plasma discharges

The traditional explicit electrostatic momentum-conserving particle-in-cell algorithm requires strict resolution of the electron Debye length to deliver numerical stability and accuracy. The explicit electrostatic energy-conserving particle-in-cell algorithm alleviates this constraint with minimal modification to the traditional algorithm, retaining its simplicity, ease of parallelization, and acceleration on modern supercomputing architectures. In this article, we apply the algorithm to model a one-dimensional radio frequency capacitively coupled plasma discharge relevant to industrial applications. The energy-conserving approach closely matches the results from the momentum-conserving algorithm and retains accuracy even for cell sizes up to 8 times the electron Debye length. For even larger cells, the algorithm loses accuracy due to poor resolution of steep gradients within the radio frequency sheath. Accuracy can be recovered by adopting a non-uniform grid, which resolves the sheath and allows for cell sizes up to 32 times the electron Debye length in the quasi-neutral bulk of the discharge. The effect is an up to 8 times reduction in the number of required simulation cells, an improvement that can compound in higher-dimensional simulations. We therefore consider the explicit energy-conserving algorithm as a promising approach to significantly reduce the computational cost of full-scale device simulations and a pathway to delivering kinetic simulation capabilities of use to industry.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Transfer learning nonlinear plasma dynamic transitions in low dimensional embeddings via deep neural networks

Deep learning algorithms provide a new paradigm to study high-dimensional dynamical behaviors, such as those in fusion plasma systems. Development of novel, data-driven model reduction methods, coupled with detection of abnormal modes with plasma physics, opens a unique opportunity to identify plasma instabilities through automated construction of parsimonious models that can be tuned to balance accuracy and cost. Our fusion transfer learning (FTL) model demonstrates success in rapidly reconstructing nonlinear kink mode structures by learning from a limited amount of nonlinear simulation data. The knowledge transfer process leverages a pre-trained neural encoder–decoder network, initially trained on linear simulations, to effectively capture nonlinear dynamics. The low-dimensional embeddings extract the coherent structures of interest, while preserving the inherent dynamics of the complex system. Experimental results highlight FTL’s capacity to capture transitional behaviors and dynamical features in plasma dynamics—a task often challenging for conventional methods. The model developed in this study is generalizable and can be extended broadly through transfer learning to address various magnetohydrodynamics modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

On twistors and conformal field theories from six dimensions

We discuss chiral zero-rest-mass field equations on six-dimensional space-time from a twistorial point of view. Specifically, we present a detailed cohomological analysis, develop both Penrose and Penrose-Ward transforms, and analyse the corresponding contour integral formulae. We also give twistor space action principles. We then dimensionally reduce the twistor space of six-dimensional space-time to obtain twistor formulations of various theories in lower dimensions. Besides well-known twistor spaces, we also find a novel twistor space amongst these reductions, which turns out to be suitable for a twistorial description of self-dual strings. For these reduced twistor spaces, we explain the Penrose and Penrose-Ward transforms as well as contour integral formulae.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Facile synthesis of highly active reduced graphene oxide-CuI catalyst through a simple combustion method for photocatalytic reduction of CO{sub 2} to methanol

We report a facile combustion method synthesis of reduced graphene oxide/CuI composites as a photocatalyst, in which CuI nanoparticles were homogeneously distributed on the surface of reduced graphene oxide (rGO), showing a good visible light response. The rGO-supported and unsupported CuI hybrids were tested over the photocatalytic reduction of CO{sub 2} for methanol evolution in visible light. In the current study rGO-CuI composites have shown excellent yields (19.91 μmol g-cat{sup −1}). rGO provides a light-weight, charge complementary and two-dimensional material that interacts effectively with the CuI nanoparticles. - Graphical abstract: A facile reduced graphene oxide(rGO)/ CuI nanoparticles complexes hybrid material was prepared by a naked flame. This method can be simple and rapid preparation of composite materials which exhibit excellent catalytic performance. It is not only can improve the light absorption but also can be highly efficient reduction of CO{sub 2} to methanol in visible light. So the rGO-CuI composite will find potential applications as catalysts in organic photosynthetic reaction. Display Omitted - Highlights: • Reduced graphene oxide-CuI composites have been prepared by a facile method. • This method can produce reduced graphene oxide from graphene oxide without any reducing agent. • The absorption efficiency of rGO-CuI composites is significantly higher than rGO and CuI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A strategy for improved computational efficiency of the method of anchored distributions

This paper proposes a strategy for improving the computational efficiency of model inversion using the method of anchored distributions by “bundling” similar model parametrizations in the likelihood function. Inferring the likelihood function typically requires a large number of forward model simulations for each possible model parametrization; as a result, the process is quite expensive. To ease this prohibitive cost, we present an approximation for the likelihood function – called “bundling” – that relaxes the requirement for high quantities of forward model simulations. This approximation redefines the conditional statement of the likelihood function as the probability of sets of similar model parametrizations – “bundles” – replicating field measurements. To evaluate the effectiveness of these modifications, we compare the quality of predictions and computational cost of bundling relative to a baseline method of anchored distributions inversion of three-dimensional flow and transport model parameters. For our synthetic experiment, bundling achieved a 35% reduction in overall computational cost and had a limited negative on predicted probability distributions of the model parameters. Strategies for minimizing error in the bundling approximation, for enforcing similarity amongst the sets of model parametrizations, and for identifying convergence of the likelihood function are also presented.

Bayesian Inversion, SVD, computational efficiency↗

A low-rank control variate for multilevel Monte Carlo simulation of high-dimensional uncertain systems

Multilevel Monte Carlo (MLMC) is a recently proposed variation of Monte Carlo (MC) simulation that achieves variance reduction by simulating the governing equations on a series of spatial (or temporal) grids with increasing resolution. Instead of directly employing the fine grid solutions, MLMC estimates the expectation of the quantity of interest from the coarsest grid solutions as well as differences between each two consecutive grid solutions. When the differences corresponding to finer grids become smaller, hence less variable, fewer MC realizations of finer grid solutions are needed to compute the difference expectations, thus leading to a reduction in the overall work. Here this paper presents an extension of MLMC, referred to as multilevel control variates (MLCV), where a low-rank approximation to the solution on each grid, obtained primarily based on coarser grid solutions, is used as a control variate for estimating the expectations involved in MLMC. Cost estimates as well as numerical examples are presented to demonstrate the advantage of this new MLCV approach over the standard MLMC when the solution of interest admits a low-rank approximation and the cost of simulating finer grids grows fast.

97 MATHEMATICS AND COMPUTING↗