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Results for “Dimensionality Selection”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

A sharp interface method for compressible liquid–vapor flow with phase transition and surface tension

The numerical approximation of non-isothermal liquid–vapor flow within the compressible regime is a difficult task because complex physical effects at the phase interfaces can govern the global flow behavior. We present a sharp interface approach which treats the interface as a shock-wave like discontinuity. Any mixing of fluid phases is avoided by using the flow solver in the bulk regions only, and a ghost-fluid approach close to the interface. The coupling states for the numerical solution in the bulk regions are determined by the solution of local two-phase Riemann problems across the interface. The Riemann solution accounts for the relevant physics by enforcing appropriate jump conditions at the phase boundary. A wide variety of interface effects can be handled in a thermodynamically consistent way. This includes surface tension or mass/energy transfer by phase transition. Moreover, the local normal speed of the interface, which is needed to calculate the time evolution of the interface, is given by the Riemann solution. The interface tracking itself is based on a level-set method. The focus in this paper is the description of the two-phase Riemann solver and its usage within the sharp interface approach. One-dimensional problems are selected to validate the approach. Finally, the three-dimensional simulation of a wobbling droplet and a shock droplet interaction in two dimensions are shown. In both problems phase transition and surface tension determine the global bulk behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Two-Dimensional NbS 2 Gas Sensors for Selective and Reversible NO 2 Detection at Room Temperature

Transition metal dichalcogenides (TMDs) have attracted enormous attention in diverse research fields. Especially, gas sensors are considered in a promising application exploiting TMDs. However, the studies are confined to only major TMDs such as MoS 2 and WS 2 . Particularly, the chemoresistive sensing properties of two-dimensional (2D) NbS 2 have never been explored. For the first time, we report room temperature NO 2 sensing characteristics of 2D NbS 2 nanosheets and the sensing mechanisms using first-principles calculations based on density functional theory. The results demonstrate that the NbS 2 edges possessing different configurations depending on synthetic conditions differ in the sensing ability of the TMD nanosheets. Furthermore, this study not only broadens the potential of 2D NbS 2 for gas sensing applications, but also presents the important role of edge configuration of TMDs depending on synthetic conditions for further studies.

2D materials↗
DOE OSTI2016

Helical vortex formation in three-dimensional electrochemical systems with ion-selective membranes

The rate of electric-field-driven transport across ion-selective membranes can exceed the limit predicted by Nernst (the limiting current), and encouraging this “overlimiting” phenomenon can improve efficiency in many electrochemical systems. Overlimiting behavior is the result of electroconvectively induced vortex formation near membrane surfaces, a conclusion supported so far by two-dimensional (2D) theory and numerical simulation, as well as experiments. We show that the third dimension plays a critical role in overlimiting behavior. In particular, the vortex pattern in shear flow through wider channels is helical rather than planar, a surprising result first observed in three-dimensional (3D) simulation and then verified experimentally. We present a complete experimental and numerical characterization of a device exhibiting this recently discovered 3D electrokinetic instability, and show that the number of parallel helical vortices is a jump-discontinuous function of width, as is the overlimiting current and overlimiting conductance. In addition, we show that overlimiting occurs at lower fields in wider channels, because the associated helical vortices are more readily triggered than the planar vortices associated with narrow channels (effective 2D systems). These unexpected width dependencies arise in realistic electrochemical desalination systems, and have important ramifications for design optimization.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Open‐Pore Two‐Dimensional MFI Zeolite Nanosheets for the Fabrication of Hydrocarbon‐Isomer‐Selective Membranes on Porous Polymer Supports

Abstract Two‐dimensional zeolite nanosheets that do not contain any organic structure‐directing agents were prepared from a multilamellar MFI (ML‐MFI) zeolite. ML‐MFI was first exfoliated by melt compounding and then detemplated by treatment with a mixture of H 2 SO 4 and H 2 O 2 (piranha solution). The obtained OSDA‐free MFI nanosheets disperse well in water and can be used for coating applications. Deposits made on porous polybenzimidazole (PBI) supports by simple filtration of these suspensions exhibit an n ‐butane/isobutane selectivity of 5.4, with an n ‐butane permeance of 3.5×10 −7 mol m −2 s −1 Pa −1 (ca. 1000 GPU).

Zhang, Han↗
DOE OSTI2019

Design of a Selective Filter Based on One-dimensional Superconductor Photonic Crystal

In this paper, we present a new design and analysis of one-dimensional superconductor photonic crystal (1D-SPC).The transmission spectrum and dispersion relation of this structure are obtained by the use of the transfer matrix method and Bloch theorem. The defective layers existence allows obtaining a new composite structure with tunable optical properties. Considering the transmission matrix of each layer, we can obtain the transmission matrix of the entire structure. The obtained results are presented in terms of the transmission spectra for both TE and TM modes. Numerical results of the effects of temperature, superconductor layer’s thickness, and incident angle on the transmission spectra are presented. We discuss the effect of defect layers inserted between 1D-SPC structure on the transmission spectra. The number of defect modes can be controlled by adjusting the number of defect layers in the structure. The proposed approach is approved by comparison of computed results with previous published data.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Energy-selective optical excitation and detection in InAs/InP quantum dot ensembles using a one-dimensional optical microcavity

We demonstrate the selective optical excitation and detection of subsets of quantum dots (QDs) within an InAs/InP ensemble using a SiO{sub 2}/Ta{sub 2}O{sub 5}-based optical microcavity. The low variance of the exciton transition energy and dipole moment tied to the narrow linewidth of the microcavity mode is expected to facilitate effective qubit encoding and manipulation in a quantum dot ensemble with ease of quantum state readout relative to qubits encoded in single quantum dots.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Cluster-dynamics-based parameterization for sulfuric acid–dimethylamine nucleation: comparison and selection through box and three-dimensional modeling

Clustering of gaseous sulfuric acid (SA) enhanced by dimethylamine (DMA) is a major mechanism for new particle formation (NPF) in polluted atmospheres. However, uncertainty remains regarding the SA–DMA nucleation parameterization that reasonably represents cluster dynamics and is applicable across various atmospheric conditions. This uncertainty hinders accurate three-dimensional (3-D) modeling of NPF and the subsequent assessment of its environmental and climatic impacts. Here we extensively compare different cluster-dynamics-based parameterizations for SA–DMA nucleation and identify the most reliable one through a combination of box model simulations, 3-D modeling, and in situ observations. Results show that the parameterization derived from Atmospheric Cluster Dynamic Code (ACDC) simulations, incorporating the latest theoretical insights (DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-311++G(3df,3pd) level of theory) and adequate representation of cluster dynamics, exhibits dependable performance in 3-D NPF simulation for both winter and summer conditions in Beijing and shows promise for application in diverse atmospheric conditions. Another ACDC-derived parameterization, replacing the level of theory with RI-CC2/aug-cc-pV(T+d)Z//M06-2X/6–311++G(3df,3pd), also performs well in NPF modeling at relatively low temperatures around 280 K but exhibits limitations at higher temperatures due to inappropriate representation of SA–DMA cluster thermodynamics. Additionally, a previously reported parameterization incorporating simplifications is applicable for simulating NPF in polluted atmospheres but tends to overestimate particle formation rates under conditions of elevated temperature (>∼300 K) and low-condensation sink (<∼3×10 -3 s −1 ). Our findings highlight the applicability of the new ACDC-derived parameterization, which couples the latest SA–DMA nucleation theory and holistic cluster dynamics, in 3-D NPF modeling. The ACDC-derived parameterization framework provides a valuable reference for developing parameterizations for other nucleation systems.

Shen, Jiewen↗
NASA NTRS1977

On the alignment of plasma anisotropies and the magnetic field direction in the solar wind

One year's Imp 6 solar wind plasma and magnetic field data are examined to determine whether anisotropies in particle velocity distributions are aligned with the measured interplanetary magnetic field vector. Alignment of components in the analysis plane was generally found to be excellent whenever plasma parameter magnitudes were larger than determination uncertainties, although some spread exists (typical rms approximately equal to 10 deg). By assuming cylindrical symmetry about the simultaneously measured magnetic field vector during the 1-year interval under study, three-dimensional values of selected solar wind plasma thermal parameters were constructed from the two-dimensional plasma measurements, and the statistical properties of their distributions have been tabulated.

Asbridge, J. R.↗
NASA NTRS2011

One Dimensional Capacitive Loading in a Frequency Selective Surface for Low Profile Antenna Applications

In this paper, the impact of adding discrete capacitive loading along one dimension of a frequency selective surface for low profile antenna applications is presented for the first time. The measured data demonstrates comparable performance between a non-loaded and a capacitively-loaded FSS with a significant reduction in the number of cells and/or cell geometry size. Additionally, the provision of discrete capacitive loads reduces the FSS susceptibility to fabrication tolerances based on placement of a fixed grid capacitance. The bandwidth increased from 1.8% to 7.3% for a total antenna thickness of approx. lambda/22, and from 1.5% to 9.2% for a thickness of approx. lambda/40. The total antenna area for each case was reduced by 55% and 12%, respectively.

Cure, David↗
DOE OSTI2024

Forward variable selection enables fast and accurate dynamic system identification with Karhunen-Loève decomposed Gaussian processes

A promising approach for scalable Gaussian processes (GPs) is the Karhunen-Loève (KL) decomposition, in which the GP kernel is represented by a set of basis functions which are the eigenfunctions of the kernel operator. Such decomposed kernels have the potential to be very fast, and do not depend on the selection of a reduced set of inducing points. However KL decompositions lead to high dimensionality, and variable selection thus becomes paramount. This paper reports a new method of forward variable selection, enabled by the ordered nature of the basis functions in the KL expansion of the Bayesian Smoothing Spline ANOVA kernel (BSS-ANOVA), coupled with fast Gibbs sampling in a fully Bayesian approach. It quickly and effectively limits the number of terms, yielding a method with competitive accuracies, training and inference times for tabular datasets of low feature set dimensionality. Theoretical computational complexities are O ( N P 2 ) in training and O ( P ) per point in inference, where N is the number of instances and P the number of expansion terms. The inference speed and accuracy makes the method especially useful for dynamic systems identification, by modeling the dynamics in the tangent space as a static problem, then integrating the learned dynamics using a high-order scheme. The methods are demonstrated on two dynamic datasets: a ‘Susceptible, Infected, Recovered’ (SIR) toy problem, along with the experimental ‘Cascaded Tanks’ benchmark dataset. Comparisons on the static prediction of time derivatives are made with a random forest (RF), a residual neural network (ResNet), and the Orthogonal Additive Kernel (OAK) inducing points scalable GP, while for the timeseries prediction comparisons are made with LSTM and GRU recurrent neural networks (RNNs) along with the SINDy package.

Hayes, Kyle↗
DOE OSTI2016

Nonlocal correlations in the orbital selective Mott phase of a one-dimensional multiorbital Hubbard model

Here, we study nonlocal correlations in a three-orbital Hubbard model defined on an extended one-dimensional chain using determinant quantum Monte Carlo and density matrix renormalization group methods. We focus on a parameter regime with robust Hund's coupling, which produces an orbital selective Mott phase (OSMP) at intermediate values of the Hubbard U , as well as an orbitally ordered ferromagnetic insulating state at stronger coupling. An examination of the orbital- and spin-correlation functions indicates that the orbital ordering occurs before the onset of magnetic correlations in this parameter regime as a function of temperature. In the OSMP, we find that the self-energy for the itinerant electrons is momentum dependent, indicating a degree of nonlocal correlations while the localized electrons have largely momentum independent self-energies. These nonlocal correlations also produce relative shifts of the holelike and electronlike bands within our model. The overall momentum dependence of these quantities is strongly suppressed in the orbitally ordered insulating phase.

36 MATERIALS SCIENCE↗