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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Sodium diffusion in heterogeneous porous media: Connecting laboratory experiments and simulations

Sodium has been suggested as a tracer for brine in reservoir formations where a significant amount of sodium ion is found mainly in the aqueous phase. Fortunately, the most abundant sodium isotope, 23 Na, is Nuclear Magnetic Resonance (NMR) active, making it possible to study the structure and dynamical properties of both bulk and pore confined fluid systems. We investigated the diffusion of key dissolved sodium species in bulk solution and porous media as a function of composition, ionic strength, and permeability of the carbonate samples using NMR relaxometry and pulsed-field gradient (PFG) NMR techniques. We use Indiana limestone as an example of natural porous media and water as a freely diffusible tracer and carrier. We demonstrate apparent diffusion measurement of sodium based on changes in spin–spin relaxation time (T 2 ) signal in pore confinement. The diffusion rate of sodium decreases with increasing counter-ion size. This effect is greater at higher ionic strengths and lower chemical potentials in porous media. The reactive transport code, CrunchFlow, was used to complement the NMR experiments to simulate diffusion behavior in porous media. Combining these two methods provides a powerful approach to estimating effective diffusion coefficients in heterogeneous matrices. The modeling considers the influence of physical properties (porosity and tortuosity) and chemical properties (geochemical composition and chemical gradients). The results presented in this work highlight the advantage of measuring apparent diffusivity using NMR T 2 relaxometry in conjunction with numerical simulation to derive effective diffusivity and the corresponding matrix properties (i.e., tortuosity) of the system.

58 GEOSCIENCES↗
DOE OSTI2025

Mapping strain and structural heterogeneities around bubbles in amorphous ionically conductive Bi 2 O 3

While amorphous materials are often approximated to have a statistically homogeneous atomic structure, they frequently exhibit localized structural heterogeneity that challenges simplified models. This study uses 4D scanning transmission electron microscopy to investigate the strain and structural modifications around gas bubbles in amorphous Bi 2 O 3 induced by argon irradiation. We present a method for determining strain fields surrounding bubbles that can be used to measure the internal pressure of the gas. Compressive strain is observed around the cavities, with higher-order crystalline symmetries emerging near the cavity interfaces, suggesting paracrystalline ordering as a result of bubble coarsening. This ordering, along with a compressive strain gradient, indicates that gas bubbles induce significant localized changes in atomic packing. By analyzing strain fields with maximum compressive strains of 3%, we estimate a lower bound on the internal pressure of the bubbles at 2.5 GPa. These findings provide insight into the complex structural behavior of amorphous materials under stress, particularly in systems with gas inclusions, and offer new methods for probing the local atomic structure in disordered materials. Although considering structural heterogeneity in amorphous systems is non-trivial, these features have crucial impacts on material functionalities, such as mechanical strength, ionic conductivity, and electronic mobility.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Selective determination of grain size in the electrodeposition of nanocrystalline nickel foils

There are many synthesis methods through phase space to produce nanostructures in metals. Condensation methods with rapid solidification are extensively explored from the gas or liquid phase. In particular, electrodeposition using pulsed currents favors continuous nucleation in the processing of structures to produce free-standing sheets as well as protective coatings for surfaces. An analysis approach used to develop the method for refining the structure and surface finish for nanocrystalline gold-copper alloy coatings relates the energy in each deposition pulse to the constituent grain size that forms during growth. Application is now pursued to evaluate a select determination of the grain size for nanocrystalline nickel foils synthesized by pulsed electrodeposition. The mechanical behaviors of hardness and rate-sensitivity of strength are assessed as function of grain size.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Unifying Advective and Diffusive Descriptions of Bedform Pumping in the Benthic Biolayer of Streams

Abstract Many water quality and ecosystem functions performed by streams occur in the benthic biolayer, the biologically active upper (~5 cm) layer of the streambed. Solute transport through the benthic biolayer is facilitated by bedform pumping, a physical process in which dynamic and static pressure variations over the surface of stationary bedforms (e.g., ripples and dunes) drive flow across the sediment‐water interface. In this paper we derive two predictive modeling frameworks, one advective and the other diffusive, for solute transport through the benthic biolayer by bedform pumping. Both frameworks closely reproduce patterns and rates of bedform pumping previously measured in the laboratory, provided that the diffusion model's dispersion coefficient declines exponentially with depth. They are also functionally equivalent, such that parameter sets inferred from the 2D advective model can be applied to the 1D diffusive model, and vice versa. The functional equivalence and complementary strengths of these two models expand the range of questions that can be answered, for example, by adopting the 2D advective model to study the effects of geomorphic processes (such as bedform adjustments to land use change) on flow‐dependent processes and the 1D diffusive model to study problems where multiple transport mechanisms combine (such as bedform pumping and turbulent diffusion). By unifying 2D advective and 1D diffusive descriptions of bedform pumping, our analytical results provide a straightforward and computationally efficient approach for predicting, and better understanding, solute transport in the benthic biolayer of streams and coastal sediments.

Grant, Stanley B.↗
DOE OSTI2012

Impact of resonant magnetic perturbations on nonlinearly driven modes in drift-wave turbulence

In this work, we study the effects of resonant magnetic perturbations (RMPs) on turbulence, flows, and confinement in the framework of resistive drift wave turbulence. We extend the Hasegawa-Wakatani model to include RMP fields. The effect of the RMPs is to induce a linear coupling between the zonal electric field and the zonal density gradient, which drives the system to a state of electron radial force balance for large ({delta}B{sub r}/B{sub 0}). Both the vorticity flux (Reynolds stress) and particle flux are modulated. We derive an extended predator prey model which couples zonal potential and density dynamics to the evolution of turbulence intensity. This model has both turbulence drive and RMP amplitude as control parameters and predicts a novel type of transport bifurcation in the presence of RMPs. We find states that are similar to the ZF-dominated state of the standard predator-prey model, but for which the power threshold is now a function of the RMP strength. For small RMP amplitude, the energy of zonal flows decreases and the turbulence energy increases with ({delta}B{sub r}/B{sub 0}), corresponding to a damping of zonal flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

BCS-BEC crossover in two dimensions: A quantum Monte Carlo study

We investigate the crossover from Bardeen-Cooper-Schrieffer (BCS) superfluidity to Bose-Einstein condensation (BEC) in a two-dimensional Fermi gas at T= 0 using the fixed-node diffusion Monte Carlo method. We calculate the equation of state and the gap parameter as a function of the interaction strength, observing large deviations compared to mean-field predictions. In the BEC regime our results show the important role of dimer-dimer and atom-dimer interaction effects that are completely neglected in the mean-field picture. We also consider the highly polarized gas and the competition between a polaronic and a molecular picture.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Controllable 0 − π transition in iron pnictide superconductor junctions with a spacer of strong ferromagnet

We investigate the control of 0−π transition in Josephson junctions consisting of a highly spin-polarized ferromagnet coupled to two iron pnictide superconductors (SCs). It is shown that, a 0−π transition as a function of interband coupling strength is always exhibited, which can be experimentally used to discriminate the s{sub ±}-wave pairing symmetry in the iron pnictide SCs from the s{sub ++}-wave one in MgB{sub 2}. By tuning the doping level in the s{sub ±}-wave SCs, one can vary the interband coupling strength so as to obtain the controllable 0−π transition. This device may be realized with current technologies and has practical use in Cooper pair spintronics and quantum information.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Interplay between interband coupling and ferromagnetism in iron pnictide superconductor/ferromagnet/iron pnictide superconductor junctions

An extended eight-component Bogoliubov-de Gennes equation is applied to study the Josephson effect between iron-based superconductors (SCs) with s{sub ±}-wave pairing symmetry, separated by an ferromagnet (FM). The feature of damped oscillations of critical Josephson current as a function of FM thickness, the split of the peaks induced by the interband coupling is much different from that for the junction with the s{sub ±}-wave SCs replaced by s{sub ++}-wave ones. In particular, a 0−π transition as a function of interband coupling strength α is found to always exhibit with the corresponding dip shifting toward the larger α due to enhancing the spin polarization in the FM, while there exits no 0−π transition for the SC with s{sub ++}-wave pairing symmetry. The two features can be used to identify the pairing symmetry in the iron pnictide SC different from the s{sub ++}-wave one in MgB{sub 2}. Experimentally, by adjusting the doping level in the s{sub ±}-wave SCs, one can vary α.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Exact stochastic unraveling of an optical coherence dynamics by cumulant expansion

A numerically exact Monte Carlo scheme for calculation of open quantum system dynamics is proposed and implemented. The method consists of a Monte Carlo summation of a perturbation expansion in terms of trajectories in Liouville phase-space with respect to the coupling between the excited states of the molecule. The trajectories are weighted by a complex decoherence factor based on the second-order cumulant expansion of the environmental evolution. The method can be used with an arbitrary environment characterized by a general correlation function and arbitrary coupling strength. It is formally exact for harmonic environments, and it can be used with arbitrary temperature. Time evolution of an optically excited Frenkel exciton dimer representing a molecular exciton interacting with a charge transfer state is calculated by the proposed method. We calculate the evolution of the optical coherence elements of the density matrix and linear absorption spectrum, and compare them with the predictions of standard simulation methods.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Effect of carboxylic acid of periodic mesoporous organosilicas on the fructose-to-5-hydroxymethylfurfural conversion in dimethylsulfoxide systems

This manuscript presents the preparation and catalytic application of highly ordered benzene bridged periodic mesoporous organosilicas (PMOs) functionalized with carboxylic acid (–COOH) group at varied density. The COOH-functionalized PMOs were synthesized by one-step condensation of 1,4-bis (triethoxysilyl) benzene and carboxylic group containing organosilane carboxyethylsilanetriol sodium salt using Brij-76 as the template. The obtained materials were characterized by a mean of methods including powder X-ray diffraction, nitrogen adsorption-desorption, scanning- and transmission electron microscopy, and {sup 13}C solid-state nuclear magnetic resonance measurements. The potentials of the obtained PMO materials with ordered mesopores were examined as solid catalysts for the chemical conversion of fructose to 5-hydroxymethylfurfural (HMF) in an organic solvent. The results showed that COOH-functionalized PMO with 10% COOH loading exhibited best results for the fructose to HMF conversion and selectivity. The high surface area, the adequate density acid functional group, and the strength of the PMO materials contributing to a promising catalytic ability were observed.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Superradiance in a two-channel quantum wire

A one-dimensional, two-channel quantum wire is studied in the effective non-Hermitian Hamiltonian framework. Analytical expressions are derived for the band structure of the isolated wire. Quantum states and transport properties of the wire coupled to two ideal leads at the edges are studied in detail. The width distribution of the quasistationary states varies as a function of the coupling strength to the environment. At weak coupling, all the eigenenergies uniformly acquire small widths. The picture changes entirely at strong coupling, a certain number of states (“super-radiant”) are greatly broadened, while the rest remain long-lived states, a pure quantum mechanical effect as a consequence of quantum interference. The transition between the two regimes greatly influences the transport properties of the system. The maximum transmission through the wire occurs at the super-radiance transition. We consider also a realistic situation with energy-dependent coupling to the continuum due to the existence of decay threshold where super-radiance still plays a significant role in transport properties of the system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Energy spectrum of D{sup 0} centre in a spherical Gaussian quantum dot

The properties of a neutral hydrogenic donor (D{sup 0}) centres have been studied for a GaAs semiconductor quantum dot with the Gaussian confinement potential. The energy levels of the ground state (n = 1) and the excited states of both the first excited (n = 2) and second excited (n = 3) configurations have been calculated by variational method. It has been shown that the excited states of the (D{sup 0}) centre in quantum dot are bound for sufficiently strong confinement potential. The conditions of binding for the ground state as well as excited states have been determined as functions of the potential strength and quantum dot radius. The ground state electron energy is compared with those available in the literature.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Tunable nano-wrinkling of chiral surfaces: Structure and diffraction optics

Periodic surface nano-wrinkling is found throughout biological liquid crystalline materials, such as collagen films, spider silk gland ducts, exoskeleton of beetles, and flower petals. These surface ultrastructures are responsible for structural colors observed in some beetles and plants that can dynamically respond to external conditions, such as humidity and temperature. In this paper, the formation of the surface undulations is investigated through the interaction of anisotropic interfacial tension, swelling through hydration, and capillarity at free surfaces. Focusing on the cellulosic cholesteric liquid crystal (CCLC) material model, the generalized shape equation for anisotropic interfaces using the Cahn-Hoffman capillarity vector and the Rapini-Papoular anchoring energy are applied to analyze periodic nano-wrinkling in plant-based plywood free surfaces with water-induced cholesteric pitch gradients. Scaling is used to derive the explicit relations between the undulations’ amplitude expressed as a function of the anchoring strength and the spatially varying pitch. The optical responses of the periodic nano-structured surfaces are studied through finite difference time domain simulations indicating that CCLC surfaces with spatially varying pitch reflect light in a wavelength higher than that of a CCLC’s surface with constant pitch. This structural color change is controlled by the pitch gradient through hydration. All these findings provide a foundation to understand structural color phenomena in nature and for the design of optical sensor devices.

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

Measurements of the linewidth enhancement factor of mid-infrared quantum cascade lasers by different optical feedback techniques

Precise knowledge of the linewidth enhancement factor of a semiconductor laser under actual operating conditions is of prime importance since this parameter dictates various phenomena such as linewidth broadening or optical nonlinearities enhancement. The above-threshold linewidth enhancement factor of a mid-infrared quantum cascade laser structure operated at 10{sup ∘}C is determined experimentally using two different methods based on optical feedback. Both Fabry-Perot and distributed feedback quantum cascade lasers based on the same active area design are studied, the former by following the wavelength shift as a function of the feedback strength and the latter by self-mixing interferometry. The results are consistent and unveil a clear pump current dependence of the linewidth enhancement factor, with values ranging from 0.8 to about 3.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Lap shear strength and healing capability of self-healing adhesive containing epoxy/mercaptan microcapsules

The aim of this work is to develop a self-healing polymeric adhesive formulation with epoxy/mercaptan microcapsules. Epoxy/mercaptan microcapsules were dispersed into a commercialize two-part epoxy adhesive for developing self-healing epoxy adhesive. The influence of different content of microcapsules on the shear strength and healing capability of epoxy adhesive were investigated using single-lap-joints with average thickness of adhesive layer of about 180 µm. This self-healing adhesive was used in bonding of 5000 series aluminum alloys adherents after mechanical and alkaline cleaning surface treatment. The adhesion strength was measured and presented as function of microcapsules loading. The results indicated that the virgin lap shear strength was increased by about 26% with addition of 3 wt% of self-healing microcapsules. 12% to 28% recovery of the shear strength is achieved after self-healing depending on the microcapsules content. Scanning electron microscopy was used to study fracture surface of the joints. The self-healing adhesives exhibit recovery of both cohesion and adhesion properties with room temperature healing.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Coherent dynamic structure factors of strongly coupled plasmas: A generalized hydrodynamic approach

A generalized hydrodynamic fluctuation model is proposed to simplify the calculation of the dynamic structure factor S(ω, k) of non-ideal plasmas using the fluctuation-dissipation theorem. In this model, the kinetic and correlation effects are both included in hydrodynamic coefficients, which are considered as functions of the coupling strength (Γ) and collision parameter (kλ{sub ei}), where λ{sub ei} is the electron-ion mean free path. A particle-particle particle-mesh molecular dynamics simulation code is also developed to simulate the dynamic structure factors, which are used to benchmark the calculation of our model. A good agreement between the two different approaches confirms the reliability of our model.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2012

Plasmon - exciton coupling effects in light absorption and scattering by metal/J-aggregate bilayer nanoparticles

This paper examines plasmon - exciton coupling effects in light absorption and scattering by hybrid nanoparticles consisting of a metallic core and organic dye J-aggregate shell. The spectroscopic characteristics of such particles are calculated using generalised Mie theory for two concentric spheres in a wide spectral range for various geometric parameters of the system, core materials (Ag, Au, Cu and Al) and cyanine dyes (TC, OC and PIC). We determine the eigenfrequencies of hybrid modes in the system and photoabsorption peak heights as functions of the oscillator strength of the transition in the J-band of the dye, core radius and shell thickness, and demonstrate that the interactions of a Frenkel exciton with dipole and multipole plasmons have radically different effects on the optical properties of the composite nanoparticles. Varying the particle size and the optical constants of the core and shell materials influences the number of peaks in the spectra of the particles and leads to a significant redistribution of peak heights. We identify regions where the extinction spectrum of the particles is dominated by light absorption or scattering processes. (nanophotonics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2012

DECORRELATION TIMES OF PHOTOSPHERIC FIELDS AND FLOWS

We use autocorrelation to investigate evolution in flow fields inferred by applying Fourier local correlation tracking (FLCT) to a sequence of high-resolution (0.''3), high-cadence ({approx_equal} 2 minute) line-of-sight magnetograms of NOAA active region (AR) 10930 recorded by the narrowband filter imager of the Solar Optical Telescope aboard the Hinode satellite over 2006 December 12 and 13. To baseline the timescales of flow evolution, we also autocorrelated the magnetograms, at several spatial binnings, to characterize the lifetimes of active region magnetic structures versus spatial scale. Autocorrelation of flow maps can be used to optimize tracking parameters, to understand tracking algorithms' susceptibility to noise, and to estimate flow lifetimes. Tracking parameters varied include: time interval {Delta}t between magnetogram pairs tracked, spatial binning applied to the magnetograms, and windowing parameter {sigma} used in FLCT. Flow structures vary over a range of spatial and temporal scales (including unresolved scales), so tracked flows represent a local average of the flow over a particular range of space and time. We define flow lifetime to be the flow decorrelation time, {tau}. For {Delta}t > {tau}, tracking results represent the average velocity over one or more flow lifetimes. We analyze lifetimes of flow components, divergences, and curls as functions of magnetic field strength and spatial scale. We find a significant trend of increasing lifetimes of flow components, divergences, and curls with field strength, consistent with Lorentz forces partially governing flows in the active photosphere, as well as strong trends of increasing flow lifetime and decreasing magnitudes with increases in both spatial scale and {Delta}t.

79 ASTRONOMY AND ASTROPHYSICS↗