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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 955 records · Page 53
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Comparison between kinetic-ballooning-mode-driven turbulence and ion-temperature-gradient-driven turbulence

Electromagnetic turbulence driven by kinetic ballooning modes (KBMs) in high-β plasma is investigated based on the local gyrokinetic model. Analysis of turbulent fluxes, norms, and phases of fluctuations shows that KBM turbulence gives narrower spectra and smaller phase factors than those in ion-temperature-gradient (ITG)-driven turbulence. This leads to the smaller transport fluxes in KBM turbulence than those in ITG turbulence even when they have similar linear growth rates. From the analysis of the entropy balance relation, it is found that the entropy transfer from ions to electrons through the field-particle interactions mainly drives electron perturbations, which creates radial twisted modes by rapid parallel motions of electrons in a sheared magnetic geometry. The nonlinear coupling between the dominant unstable mode and its twisted modes is important for the saturation of KBM turbulence, in contrast to the importance of zonal flow shearing in ITG turbulence. The coupling depends on the flux-tube domain with the one-poloidal-turn parallel length and on the torus periodicity constraint.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Effect of entropy on anomalous transport in electron-temperature-gradient-modes

Due to the interconnection of entropy with temperature and density of plasma, it would be interesting to investigate plasma related phenomena with respect to entropy. By employing Braginskii transport equations, it is proved that entropy is proportional to a function of potential and distribution function of entropy is re-defined, ∇S–drift in obtained. New dispersion relation is derived; it is found that the anomalous transport depends on the gradient of the entropy.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Regulation of electron temperature gradient turbulence by zonal flows driven by trapped electron modes

Turbulent transport caused by electron temperature gradient (ETG) modes was investigated by means of gyrokinetic simulations. It was found that the ETG turbulence can be regulated by meso-scale zonal flows driven by trapped electron modes (TEMs), which are excited with much smaller growth rates than those of ETG modes. The zonal flows of which radial wavelengths are in between the ion and the electron banana widths are not shielded by trapped ions nor electrons, and hence they are effectively driven by the TEMs. It was also shown that an E × B shearing rate of the TEM-driven zonal flows is larger than or comparable to the growth rates of long-wavelength ETG modes and TEMs, which make a main contribution to the turbulent transport before excitation of the zonal flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Ion temperature gradient driven turbulence with strong trapped ion resonance

A theory to describe basic characterization of ion temperature gradient driven turbulence with strong trapped ion resonance is presented. The role of trapped ion granulations, clusters of trapped ions correlated by precession resonance, is the focus. Microscopically, the presence of trapped ion granulations leads to a sharp (logarithmic) divergence of two point phase space density correlation at small scales. Macroscopically, trapped ion granulations excite potential fluctuations that do not satisfy dispersion relation and so broaden frequency spectrum. The line width from emission due only to trapped ion granulations is calculated. The result shows that the line width depends on ion free energy and electron dissipation, which implies that non-adiabatic electrons are essential to recover non-trivial dynamics of trapped ion granulations. Relevant testable predictions are summarized.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Coherent structures in ion temperature gradient turbulence-zonal flow

Nonlinear stationary structure formation in the coupled ion temperature gradient (ITG)-zonal flow system is investigated. The ITG turbulence is described by a wave-kinetic equation for the action density of the ITG mode, and the longer scale zonal mode is described by a dynamic equation for the m = n = 0 component of the potential. Two populations of trapped and untrapped drift wave trajectories are shown to exist in a moving frame of reference. This novel effect leads to the formation of nonlinear stationary structures. It is shown that the ITG turbulence can self-consistently sustain coherent, radially propagating modulation envelope structures such as solitons, shocks, and nonlinear wave trains.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Shear flow instabilities induced by trapped ion modes in collisionless temperature gradient turbulence

One important issue in turbulence self-organization is the interplay between the Kelvin–Helmholtz (KH) instability and streamers and/or zonal flows. This question has been debated for a long time. The effects of the KH instability and its position in the sequence of events between streamers, turbulence, and zonal flows have been investigated with a reduced gyro-bounce averaged kinetic code devoted to study the primary ion temperature gradient (ITG) instability linked to trapped ion modes (TIM). In toroidal geometry, the specific dynamics of TIM linked to trapped particles becomes important when the frequency of ITG modes falls below the ion bounce frequency, allowing one to average on both the cyclotron and bounce motion fast time scales. This reduction of the number of degrees of freedom leads to a strong reduction of computer resources (memory and computation time). Bounce-averaged gyrokinetic code can be considered as a toy model able to describe basic structures of turbulent transport in tokamak devices. In particular, by means of this code, we have observed that the energy injected in the system by the TIM instability is exchanged between streamers and zonal flows by means of KH vortices that grow along these structures in the nonlinear phase. The energy transfer occurs throughout the relaxation phase of the streamer growth leading to a modification of the KH modes and to the generation of the zonal flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Ion scale nonlinear interaction triggered by disparate scale electron temperature gradient mode

We have observed that the disparate scale nonlinear interactions between the high-frequency (∼0.4 MHz) electron temperature gradient (ETG) mode and the ion-scale low-frequency fluctuations (∼kHz) were enhanced when the amplitude of the ETG mode exceeded a certain threshold. The dynamics of nonlinear coupling between the ETG mode and the drift wave (DW) mode has already been reported [C. Moon, T. Kaneko, and R. Hatakeyama, Phys. Rev. Lett. (2013)]. Here, we have newly observed that another low-frequency fluctuation with f ≃ 3.6 kHz, i.e., the flute mode, was enhanced, corresponding to the saturation of the DW mode growth. Specifically, the bicoherence between the flute mode and the DW mode reaches a significant level when the ∇T{sub e}/T{sub e} strength exceeded 0.54 cm{sup −1}. Thus, it is shown that the ETG mode energy was transferred to the DW mode, and then the energy was ultimately transferred to the flute mode, which was triggered by the disparate scale nonlinear interactions between the ETG and ion-scale low-frequency modes.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Ion temperature gradient turbulence in helical and axisymmetric RFP plasmas

Turbulence induced by the ion temperature gradient (ITG) is investigated in the helical and axisymmetric plasma states of a reversed field pinch device by means of gyrokinetic calculations. The two magnetic configurations are systematically compared, both linearly and nonlinearly, in order to evaluate the impact of the geometry on the instability and its ensuing transport, as well as on the production of zonal flows. Despite its enhanced confinement, the high-current helical state demonstrates a lower ITG stability threshold compared to the axisymmetric state, and ITG turbulence is expected to become an important contributor to the total heat transport.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Dynamic microscale temperature gradient in a gold nanorod solution measured by diffraction-limited nanothermometry

We quantify the dynamic microscale temperature gradient in a gold nanorod solution using quantum-dot-based microscopic fluorescence nanothermometry. By incorporating CdSe quantum dots into the solution as a nanothermometer, precise temperature mapping with diffraction-limited spatial resolution and sub-degree temperature resolution is achieved. The acquired data on heat generation and dissipation show an excellent agreement with theoretical simulations. This work reveals an effective approach for noninvasive temperature regulation with localized nanoheaters in microfluidic environment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Direct numerical simulation of Taylor-Couette flow subjected to a radial temperature gradient

Direct numerical simulations have been performed to study the Taylor-Couette (TC) flow between two rotating, coaxial cylinders in the presence of a radial temperature gradient. Specifically, the influence of the buoyant force and the outer cylinder rotation on the turbulent TC flow system with the radius ratio η = 0.912 was examined. For the co-rotating TC flows with Re{sub i} (inner cylinder) =1000 and Re{sub o} (outer cylinder) =100, a transition pathway to highly turbulent flows is realized by increasing σ, a parameter signifying the ratio of buoyant to inertial force. This nonlinear flow transition involves four intriguing states that emerge in sequence as chaotic wavy vortex flow for σ = 0, wavy interpenetrating spiral flows for σ = 0.02 and 0.05, intermittent turbulent spirals for σ = 0.1 and 0.2, and turbulent spirals for σ = 0.4. Overall, the fluid motion changes from a centrifugally driven flow regime characterized by large-scale wavy Taylor vortices (TVs) to a buoyancy-dominated flow regime characterized by small-scale turbulent vortices. Commensurate changes in turbulence statistics and heat transfer are seen as a result of the weakening of large-scale TV circulations and enhancement of turbulent motions. Additionally, the influence of variation of the outer cylinder rotation, −500 < Re{sub o} < 500 in presence of buoyancy (σ = 0.1) with Re{sub i} = 1000, has been considered. Specifically, it is demonstrated that this variation strongly influences the azimuthal and axial mean flows with a weaker influence on the fluctuating fluid motions. Of special interest, here are the turbulent dynamics near the outer wall where a marked decrease of turbulence intensity and a sign inversion of the Reynolds stress R{sub rz} are observed for the strongly counter-rotating regimes (Re{sub o} = − 300 and −500). To this end, it has been shown that the underlying flow physics for this drastic modification are associated with the modification of the correlation between the radial and axial fluctuating motions. In turn, the intriguing effects of this modification on the mean axial flow, turbulent statistics, force balance, and dynamic processes such as turbulence production and dissipation are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Electron temperature gradient mode instability and stationary vortices with elliptic and circular boundary conditions in non-Maxwellian plasmas

Linear and nonlinear dynamics of electron temperature gradient mode along with parallel electron dynamics is investigated by considering hydrodynamic electrons and non-Maxwellian ions. It is noticed that the growth rate of η{sub e}-mode driven linear instability decreases by increasing the value of spectral index and increases by reducing the ion/electron temperature ratio along the magnetic field lines. The eigen mode dispersion relation is also found in the ballooning mode limit. Stationary solutions in the form of dipolar vortices are obtained for both circular and elliptic boundary conditions. It is shown that the dynamics of both circular and elliptic vortices changes with the inclusion of inhomogeneity and non-Maxwellian effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Non-modal theory of the kinetic ion temperature gradient driven instability of plasma shear flows across the magnetic field

The temporal evolution of the kinetic ion temperature gradient driven instability and of the related anomalous transport of the ion thermal energy of plasma shear flow across the magnetic field is investigated analytically. This instability develops in a steady plasma due to the inverse ion Landau damping and has the growth rate of the order of the frequency when the ion temperature is equal to or above the electron temperature. The investigation is performed employing the non-modal methodology of the shearing modes which are the waves that have a static spatial structure in the frame of the background flow. The solution of the governing linear integral equation for the perturbed potential displays that the instability experiences the non-modal temporal evolution in the shearing flow during which the unstable perturbation becomes very different from a canonical modal form. It transforms into the non-modal structure with vanishing frequency and growth rate with time. The obtained solution of the nonlinear integral equation, which accounts for the random scattering of the angle of the ion gyro-motion due to the interaction of ions with ensemble of shearing waves, reveals similar but accelerated process of the transformations of the perturbations into the zero frequency structures. It was obtained that in the shear flow the anomalous ion thermal conductivity decays with time. It is a strictly non-modal effect, which originates from the temporal evolution of the shearing modes turbulence.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Geometric stabilization of the electrostatic ion-temperature-gradient driven instability. I. Nearly axisymmetric systems

The effects of a non-axisymmetric (3D) equilibrium magnetic field on the linear ion-temperature-gradient (ITG) driven mode are investigated. We consider the strongly driven, toroidal branch of the instability in a global (on the magnetic surface) setting. Previous studies have focused on particular features of non-axisymmetric systems, such as strong local shear or magnetic ripple, that introduce inhomogeneity in the coordinate along the magnetic field. In contrast, here we include non-axisymmetry explicitly via the dependence of the magnetic drift on the field line label α, i.e., across the magnetic field, but within the magnetic flux surface. We consider the limit where this variation occurs on a scale much larger than that of the ITG mode, and also the case where these scales are similar. Close to axisymmetry, we find that an averaging effect of the magnetic drift on the flux surface causes global (on the surface) stabilization, as compared to the most unstable local mode. In the absence of scale separation, we find destabilization is also possible, but only if a particular resonance occurs between the magnetic drift and the mode, and finite Larmor radius effects are neglected. We discuss the relative importance of surface global effects and known radially global effects.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

r 2 SCAN-D4: Dispersion corrected meta-generalized gradient approximation for general chemical applications

We combine a regularized variant of the strongly constrained and appropriately normed semilocal density functional with the latest generation semi-classical London dispersion correction. The resulting density functional approximation r 2 SCAN-D4 has the speed of generalized gradient approximations while approaching the accuracy of hybrid functionals for general chemical applications. We demonstrate its numerical robustness in real-life settings and benchmark molecular geometries, general main group and organo-metallic thermochemistry, and non-covalent interactions in supramolecular complexes and molecular crystals. Main group and transition metal bond lengths have errors of just 0.8%, which is competitive with hybrid functionals for main group molecules and outperforms them for transition metal complexes. The weighted mean absolute deviation (WTMAD2) on the large GMTKN55 database of chemical properties is exceptionally small at 7.5 kcal/mol. This also holds for metal organic reactions with an MAD of 3.3 kcal/mol. The versatile applicability to organic and metal–organic systems transfers to condensed systems, where lattice energies of molecular crystals are within the chemical accuracy (errors <1 kcal/mol).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method

A first implementation of analytic gradients for spinor-based relativistic equation-of-motion coupled-cluster singles and doubles method using an exact two-component Hamiltonian augmented with atomic mean-field spin–orbit integrals is reported. To demonstrate its applicability, we present calculations of equilibrium structures and harmonic vibrational frequencies for the electronic ground and excited states of the radium mono-amide molecule (RaNH 2 ) and the radium mono-methoxide molecule (RaOCH 3 ). Spin–orbit coupling is shown to quench Jahn–Teller effects in the first excited state of RaOCH 3 , resulting in a C 3v equilibrium structure. Furthermore, the calculations also show that the radium atoms in these molecules serve as efficient optical cycling centers.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Fast methods for multisite charge transfer. Processes II. Analytic nuclear gradients and nonadiabatic dynamics for cCASSCF(1,n) and cCASSCF(2n-1,n) wavefunctions

In this work we derive and implement analytic nuclear gradients and derivative couplings for a constrained complete active space self-consistent field with a small active space designed to model electron or hole transfer. Using a Lagrangian formalism, we are able to differentiate both the CASSCF energy and the constraint (which is required for smooth surfaces over a wide range of parameter space), and the resulting efficient algorithm can be immediately applied to nonadiabatic dynamics simulations of charge transfer processes. Here, we run initial surface-hopping simulations of a proton coupled electron transfer event for a phenoxyl–phenol system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Ecophotonics: assessment of temperature gradient in aquatic organisms using up-conversion luminescent particles

In the frameworks of developing ecophotonics, we consider the possibility of applying luminescence spectroscopy for monitoring conditions of aquatic organisms, aimed at the study and prognosis of the effect of human activity and climate changes on the environment. The method of luminescence spectroscopy in combination with anti-Stokes luminophores (up-conversion particles) used as optical sensors is used for the noninvasive assessment of the temperature gradient in the internal tissues of aquatic organisms. It is shown that the temperature dependence of the intensity ratio observed in the maxima of the luminescence spectrum bands of the particles Y{sub 2}O{sub 3} : Yb, Er, administered in a biological object, is linear. This fact offers a possibility of using the up-conversion particles for assessing the metabolic activity of different tissues, including those in the framework of ecological monitoring. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

THE EFFECT OF VERTICAL TEMPERATURE GRADIENT ON THE PROPAGATION OF THREE-DIMENSIONAL WAVES IN A PROTOPLANETARY DISK

Excitation and propagation of waves in a thermally stratified disk with an arbitrary vertical temperature profile are studied. Previous analytical studies of three-dimensional waves had been focused on either isothermal or polytropic vertical disk structures. However, at the location in a protoplanetary disk where the dominant heating source is stellar irradiation, the temperature gradient may become positive in the vertical direction. We extend the analysis to study the effects of the vertical temperature structure on the waves that are excited at the Lindblad resonances. For a hotter disk atmosphere, the f-mode contributes less to the torque and remains confined near the midplane as it propagates away from the resonances. On the other hand, the excitation of the g-modes is stronger. As they propagate, they channel to the top of disk atmosphere and their group velocities decrease. The differences compared to previous studies may have implications in understanding the wave dynamics in a realistic disk structure.

79 ASTRONOMY AND ASTROPHYSICS↗