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At least 505 records · Page 28

Energy transfer and constrained simulations in isotropic turbulence

The defining characteristic of turbulent flows is their ability to dissipate energy, even in the limit of zero viscosity. The Euler equations, if constrained in such a way that the velocity derivatives remain bounded, conserve energy. But when they arise as the limit of the Navier-Stokes (NS) equations, when the Reynolds number goes to infinity, there is persuasive empirical evidence that the gradients become singular as just the right function of Re for the dissipation to remain non-zero and to approach a well defined limit. It is generally believed that this limiting value of the dissipation is a property of the Euler equations themselves, independent of the particular dissipative mechanism involved, and that it can be normalized with the large scale properties of the turbulent flow (e.g. the kinetic energy per unit volume u'(exp 2)/2, and the integral scale L) without reference to the Reynolds number or to other dissipative quantities. This is usually taken to imply that the low wave number end of the energy spectrum, far from the dissipative range, is also independent of the particular mechanism chosen to dispose of the energy transfer. In the following sections, we present some numerical experiments on the effect of substituting different dissipation models into the truncated Euler equations. We will see that the effect is mainly felt in the 'near dissipation' range of the energy spectrum, but that this range can be quite wide in some cases, contaminating a substantial range of wave numbers. In the process, we will develop a 'practical' approximation to the subgrid energy transfer in isotropic turbulence, and we will gain insight into the structure of the nonlinear interactions among turbulent scales of comparable size, and into the nature of energy backscatter. Some considerations on future research directions are offered at the end.

Jimenez, Javier↗

Strong surface effect on direct bulk flexoelectric response in solids

In the framework of a continuum theory, it is shown that the direct bulk flexoelectric response of a finite sample essentially depends on the surface polarization energy, even in the thermodynamic limit where the body size tends to infinity. It is found that a modification of the surface energy can lead to a change in the polarization response by a factor of two. The origin of the effect is an electric field produced by surface dipoles induced by the strain gradient. The unexpected sensitivity of the polarization response to the surface energy in the thermodynamic limit is conditioned by the fact that the moments of the surface dipoles may scale as the body size.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

AO/NAO Response to Climate Change: Relative Importance of Low- and High-Latitude Temperature Changes - 2

Using a variety of GCM experiments with various versions of the GISS model, we investigate how different aspects of tropospheric climate changes affect the extratropical Arctic Oscillation (AO)/North Atlantic Oscillation (NAO) circulation indices. The results show that low altitude changes in the extratropical latitudinal temperature gradient can have a strong impact on eddy forcing of the extratropical zonal wind, in the sense that when this latitudinal temperature gradient increases, it helps force a more negative AO/NAO phase. In addition, local conditions at high latitudes can stabilize/destabilize the atmosphere, inducing negative/positive phase changes. To the extent that there is not a large temperature change in the tropical upper troposphere (either through reduced tropical sensitivity at the surface, or limited transport of this change to high levels), the changes in the low level temperature gradient can provide the dominate influence on the extratropical circulation, so that planetary wave meridional refraction and eddy angular momentum transport changes become uncorrelated with potential vorticity transports. In particular, the climate change that produces the most positive NAO phase change would have substantial warming in the tropical upper troposphere over the Pacific Ocean, with high latitude warming in the North Atlantic. An increase in positive phase of these circulation indices is still more likely than not, but it will depend on the degree of tropical and high latitude temperature response and the transport of low level warming into the upper troposphere. These are aspects that currently differ among the models used for predicting the effects of global warning, contributing to the lack of consensus of future changes in the AO/NAO.

Rind, D.↗

Data from: "Colonisation of the alpine tundra by trees: alpine neighbours assist late-seral but not early-seral conifer seedlings"

This archive contains data used to support conclusions made in “Colonisation of the alpine tundra by trees: alpine neighbours assist late-seral but not early-seral conifer seedlings”, by Jabis et al., 2020. Data were collected in the alpine field location of the Alpine Treeline Warming Experiment (ATWE), on Niwot Ridge, in the Front Range of the Colorado Rocky Mountains, USA.This package includes survivorship and physiology data for limber pine (Pinus flexilis), Engelmann spruce (Picea engelmannii), and Rocky Mountain snowlover (Chionophila jamesii). Site climate data such as soil moisture and temperature are also included. This data package contains ten comma-separated-values (.csv) files, and two rich-text-format (.rtf) files all compressed within one folder named “Neighbor_data_repository.zip”. Both file types can be opened by text-edit softwares such as TextEdit (Mac) and Notepad (Windows). The files are also compatible with analyses softwares such as R. .csv files can also be opened by Microsoft Excel. Two geospatial datasets are also included in this archive: one keyhole markup language (.kml) file with four points marking the corners of the study site, and a compressed file containing two ESRI shapefiles (.shp). The .kml files can be opened with Google Earth or Google Maps, and the shapefiles can be opened using any geographic information system applications, including the entire ArcGIS suite, and QGIS. -------------------------------------------------------------------------------------------------------------------------------------------------------The elevation mountain treeline is expected to shift upward with climate warming, and seed germination and seedling survival are critical local controls on treeline expansion. Neighboring alpine plants, either through competition for resources or through altering the microclimate, can also affect seedling emergence and survival. We asked whether establishing tree seedlings and an alpine herb are similarly sensitive to alpine plant neighbours under ambient and altered climate. We imposed active heating, watering, and neighbor removal experiments for emerging conifer seedlings and an alpine herb.We compared target plant survival, photosynthetic efficiency, and water use efficiency under ambient and experimental conditions. Picea engelmannii seedlings showed lower survival compared with Pinus flexilis three weeks following neighbour removal, and after 1 year only survived in watered plots. Pinus seedlings responded to neighbour removal by lowering the quantum yield of photosynthesis (ϕPSII). Contrary to expectations from the stress gradient hypothesis, survival was reduced without neighbours near the low-elevation range limit of Chionophila jamesii.

54 ENVIRONMENTAL SCIENCES↗

Discovery of stationary operation of quiescent H-mode plasmas with net-zero neutral beam injection torque and high energy confinement on DIII-D

Recent experiments in DIII-D [J. L. Luxon et al., in Plasma Physics and Controlled Nuclear Fusion Research 1996 (International Atomic Energy Agency, Vienna, 1987), Vol. I, p. 159] have led to the discovery of a means of modifying edge turbulence to achieve stationary, high confinement operation without Edge Localized Mode (ELM) instabilities and with no net external torque input. Eliminating the ELM-induced heat bursts and controlling plasma stability at low rotation represent two of the great challenges for fusion energy. By exploiting edge turbulence in a novel manner, we achieved excellent tokamak performance, well above the H{sub 98y2} international tokamak energy confinement scaling (H{sub 98y2} = 1.25), thus meeting an additional confinement challenge that is usually difficult at low torque. The new regime is triggered in double null plasmas by ramping the injected torque to zero and then maintaining it there. This lowers E × B rotation shear in the plasma edge, allowing low-k, broadband, electromagnetic turbulence to increase. In the H-mode edge, a narrow transport barrier usually grows until MHD instability (a peeling ballooning mode) leads to the ELM heat burst. However, the increased turbulence reduces the pressure gradient, allowing the development of a broader and thus higher transport barrier. A 60% increase in pedestal pressure and 40% increase in energy confinement result. An increase in the E × B shearing rate inside of the edge pedestal is a key factor in the confinement increase. Strong double-null plasma shaping raises the threshold for the ELM instability, allowing the plasma to reach a transport-limited state near but below the explosive ELM stability boundary. The resulting plasmas have burning-plasma-relevant β{sub N} = 1.6–1.8 and run without the need for extra torque from 3D magnetic fields. To date, stationary conditions have been produced for 2 s or 12 energy confinement times, limited only by external hardware constraints. Stationary operation with improved pedestal conditions is highly significant for future burning plasma devices, since operation without ELMs at low rotation and good confinement is key for fusion energy production.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Physiological Response of Plants Grown on Porous Ceramic Tubes

This research involves the manipulation of the root-zone water potential for the purposes of discriminating the rate limiting step in the inorganic nutrient uptake mechanism utilized by higher plants. This reaction sequence includes the pathways controlled by the root-zone conditions such as water tension and gradient concentrations. Furthermore, plant based control mechanisms dictated by various protein productions are differentiated as well. For the nutrients limited by the environmental availability, the kinetics were modeled using convection and diffusion equations. Alternatively, for the nutrients dependent upon enzyme manipulations, the uptakes are modeled using Michaelis-Menten kinetics. In order to differentiate between these various mechanistic steps, an experimental apparatus known as the Porous Ceramic Tube - Nutrient Delivery System (PCT-NDS) was used. Manipulation of the applied suction pressure circulating a nutrient solution through this system imposes a change in the matric component of the water potential. This compensates for the different osmotic components of water potential dictated by nutrient concentration. By maintaining this control over the root-zone conditions, the rate limiting steps in the uptake of the essential nutrients into tomato plants (Lycopersicon esculentum cv. Cherry Elite) were differentiated. Results showed that the uptake of some nutrients were mass transfer limited while others were limited by the enzyme kinetics. Each of these were adequately modeled with calculations and discussions of the parameter estimations provided.

Tsao, David↗

Ultrastable cathodes enabled by compositional and structural dual-gradient design

Cathodes for next-generation batteries are pressed for higher voltage operation (≥4.5 V) to achieve high capacity with long cyclability and thermal tolerance. Current cathodes fail to meet these requirements owing to structural and electrochemical strains at high voltages, leading to fast capacity fading. Here, in this work, we present a cathode with a coherent architecture ranging from ordered to disordered frameworks with concentration gradient and controllable Ni oxidation activities, which can overcome voltage ceilings imposed by existing cathodes. This design enables simultaneous high-capacity and high-voltage operation at 4.5 V without capacity fading, and up to 4.7 V with negligible capacity decay. Multiscale diffraction and imaging techniques reveal the disordered surface is electrochemically and structurally indestructible, preventing surface parasitic reactions and phase transitions. Structural coherence from ordering to disordering limits lattice parameter changes, mitigating lattice strain and enhancing morphological integrity. The dual-gradient design also notably improves thermal stability, driving the advancement of high-performance cathode materials.

36 MATERIALS SCIENCE↗

Ion-wave current instabilities and anomalous resistivity.

A theory of ion-wave current instabilities which takes into account, in a self-consistent manner, the inhomogeneities generated by field-aligned currents in a collisionless plasma is presented. Diamagnetic current associated with the current-produced density gradient is included in the distribution. The theory predicts that for a given frequency, the current threshold for ion-wave current instabilities is, in general, much below the threshold of ion acoustic instability in a uniform plasma as given by Fried and Gould. The current threshold is essentially zero in the limit when the ion Landau damping effect is negligible, or equivalently, the ion-wave current instabilities are absolute if there are no limitations on the wavelength. This is true even in the absence of externally applied density gradients in contrast to Kadomtsev's drift-wave results. For dimensions of interest in laboratory plasmas, the predicted linear growth rate increases with increasing longitudinal wavelength and with decreasing wavelength parallel to the diamagnetic current. Under the conditions of an experiment on anomalous resistivity (the dimensions but not the geometry of the machine have been considered), there is good agreement between the predicted onset of ion-wave current instabilities and the experimental data on the onset of anomalous resistivity.

Kan, J. R.↗

MESSENGER Searches for Less Abundant or Weakly Emitting Species in Mercury's Exosphere

Mercury's exosphere is composed of material that originates at the planet's surface, whether that material is native or delivered by the solar wind and micrometeoroids. Many exospheric species have been detected by remote sensing, including H and He by Mariner 10, Na, K, and Ca by ground-based observations, and H, Na, Ca, Mg, and Ca+ by the MErcury Surface, Space ENvironment, GEochemistry, and Ranging (MESSENGER) spacecraft. Other exospheric species, including Fe, AI, Si, 0, S, Mn, CI, Ti, OH, and their ions, are expected to be present on the basis of MESSENGER surface measurements and models of Mercury's surface chemistry. Here we report on searches for these species made with the Ultraviolet and Visible Spectrometer (UVVS) channel of the Mercury Atmospheric and Surface Composition Spectrometer (MASCS). No obvious signatures of the listed species have yet been observed in Mercury's exosphere by the UVVS as of this writing. It is possible that detections are elusive because the optimum regions of the exosphere have not been sampled. The Sun-avoidance constraints on MESSENGER place tight limits on instrument boresight directions, and some regions are probed infrequently. If there are strong spatial gradients in the distribution of weakly emitting species, a high-resolution sampling of specific regions may be required to detect them. Summing spectra over time will also aid in the ability to detect weaker emission. Observations to date nonetheless permit strong upper limits to be placed on the abundances of many undetected species, in some cases as functions of time and space. As those limits are lowered with time, the absence of detections can provide insight into surface composition and the potential source mechanisms of exospheric material.

Vervack, Ronald J., Jr.↗

Accelerated Distributed Energy Management for Microgrids

This paper considers the optimal energy management for a microgrid. The goal of optimal energy management is to minimize the total generation cost while meeting total demand and satisfying individual generator output limits. To achieve this goal, we develop a distributed algorithm based on the consensus theory and gradient estimation technique. Compared to the existing algorithms with diminishing step-sizes, the proposed algorithm enjoys a faster convergence speed due to the fixed step-size, and thus increases the computation speed, and reduces the computation and communication burden. The proposed distributed algorithm is applicable to both fixed and time-varying directed communication networks. We show that the convergence of the proposed distributed algorithm is achieved if the fixed communication network is strongly connected, or if the time-varying communication network is uniformly jointly strongly connected. Numerical simulation results are used to illustrate and demonstrate the effectiveness of the proposed algorithm.

Du, Wen↗

Turbulent Transport by Diffusive Stratified Shear Flows: From Local to Global Models. I. Numerical Simulations of a Stratified Plane Couette Flow

Shear-induced turbulence could play a significant role in mixing momentum and chemical species in stellar radiation zones, as discussed by Zahn. In this paper we analyze the results of direct numerical simulations of stratified plane Couette flows, in the limit of rapid thermal diffusion, to measure the turbulent viscosity and the turbulent diffusivity of a passive tracer as a function of the local shear and the local stratification. We find that the stability criterion proposed by Zahn, namely that the product of the gradient Richardson number and the Prandtl number must be smaller than a critical values (JPr){sub c} for instability, adequately accounts for the transition to turbulence in the flow, with (JPr){sub c}≃0.007. This result recovers and confirms the prior findings of Prat et al. Zahn’s model for the turbulent diffusivity and viscosity, namely that the mixing coefficient should be proportional to the ratio of the thermal diffusivity to the gradient Richardson number, does not satisfactorily match our numerical data. It fails (as expected) in the limit of large stratification where the Richardson number exceeds the aforementioned threshold for instability, but it also fails in the limit of low stratification where the turbulent eddy scale becomes limited by the computational domain size. We propose a revised model for turbulent mixing by diffusive stratified shear instabilities that properly accounts for both limits, fits our data satisfactorily, and recovers Zahn’s model in the limit of large Reynolds numbers.

79 ASTRONOMY AND ASTROPHYSICS↗

Push it to the limit: Characterizing the convergence of common sequences of basis sets for intermolecular interactions as described by density functional theory

With the aim of systematically characterizing the convergence of common families of basis sets such that general recommendations for basis sets can be made, we have tested a wide variety of basis sets against complete-basis binding energies across the S22 set of intermolecular interactions—noncovalent interactions of small and medium-sized molecules consisting of first- and second-row atoms—with three distinct density functional approximations: SPW92, a form of local-density approximation; B3LYP, a global hybrid generalized gradient approximation; and B97M-V, a meta-generalized gradient approximation with nonlocal correlation. We have found that it is remarkably difficult to reach the basis set limit; for the methods and systems examined, the most complete basis is Jensen’s pc-4. The Dunning correlation-consistent sequence of basis sets converges slowly relative to the Jensen sequence. The Karlsruhe basis sets are quite cost effective, particularly when a correction for basis set superposition error is applied: counterpoise-corrected def2-SVPD binding energies are better than corresponding energies computed in comparably sized Dunning and Jensen bases, and on par with uncorrected results in basis sets 3-4 times larger. These trends are exhibited regardless of the level of density functional approximation employed. A sense of the magnitude of the intrinsic incompleteness error of each basis set not only provides a foundation for guiding basis set choice in future studies but also facilitates quantitative comparison of existing studies on similar types of systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Accelerating resonant spectroscopy simulations using multishifted biconjugate gradient

Resonant spectroscopies, which involve intermediate states with finite lifetimes, provide important insights into collective excitations in quantum materials that are otherwise inaccessible. However, theoretical understanding in this area is often limited by the numerical challenges of solving Kramers-Heisenberg-type response functions for large-scale systems. To address this, we introduce a multishifted biconjugate gradient algorithm that exploits the shared structure of Krylov subspaces across spectra with varying incident energies, effectively reducing the computational complexity to that of linear spectroscopies. Both mathematical proofs and numerical benchmarks confirm that this algorithm substantially accelerates spectral simulations, achieving constant complexity independent of the number of incident energies, while ensuring accuracy and stability. This development provides a scalable, versatile framework for simulating advanced spectroscopies in quantum materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Zero Resistance Ammetry (ZRA) Measurements of Sediment Electrochemical Gradients, Old Woman Creek, Ohio, USA, June–November 2022

This dataset contains raw and processed zero resistance ammetry (ZRA) measurements collected from wetland sediments at Old Woman Creek, a freshwater estuary on Lake Erie, Ohio, USA, between June and November 2022. Measurements were obtained using a vertically deployed electrode array positioned at multiple depths within the sediment profile to capture electrochemical gradients associated with microbial activity and sediment geochemistry. The raw dataset consists of parsed instrument log files containing timestamps, electrode pair identifiers, and measured electrical potential (mV). The processed dataset includes standardized and quality-controlled values with instrument saturation limits removed and timestamps converted to ISO 8601 format. Electrode line identifiers were mapped to physical depths, enabling interpretation of depth-resolved electrochemical gradients. Instrument saturation values (−2048, −2047, 2047, and 2048 mV) were identified as measurement limits and excluded from quantitative analyses. All data parsing, processing, and quality control steps are documented in an accompanying R Markdown script, ensuring full reproducibility from raw instrument logs to final datasets.

EARTH SCIENCE > AGRICULTURE > SOILS > ELECTRICAL C↗

Resistive stability of cylindrical MHD equilibria with radially localized pressure gradients

As a step toward understanding 3D magnetohydrodynamic (MHD) equilibria, for which smooth solutions may not exist, we develop a simple cylindrical model to investigate the resistive stability of MHD equilibria with alternating regions of constant and nonuniform pressure, producing states with continuous total pressure (i.e., no singular current sheets) but discontinuities in the parallel current density. We examine how the resistive stability characteristics of the model change as we increase the localization of pressure gradients at fixed radii, which approaches a discontinuous pressure profile in the zero-width limit. Equilibria with continuous pressure are found to be unstable to moderate/high-m modes and apparently tend toward ideal instability in some cases. We propose that additional geometric degrees of freedom or symmetry breaking via island formation may increase the parameter space on which equilibria of our model are physically realizable, while preserving the radial localization of pressure gradients. This is consistent with the possibility of realizing, in practice, 3D MHD equilibria which support both continuously nested flux surfaces (where ∇p ≠ 0) and chaotic field regions (where ∇p = 0)

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

27 Al NMR diffusometry of Al 13 Keggin nanoclusters

Although nanometer-sized aluminum hydroxide clusters (i.e., ϵ-Al 13 , [Al 13 O 4 (OH) 24 (H 2 O) 12 ] 7+ ) command a central role in aluminum ion speciation and transformations between minerals, measurement of their translational diffusion is often limited to indirect methods. Here, in this work, 27 Al pulsed field gradient stimulated echo nuclear magnetic resonance (PFGSTE NMR) spectroscopy has been applied to the AlO 4 core of the ϵ-Al 13 cluster with complementary theoretical simulations of the diffusion coefficient and corresponding hydrodynamic radii from a boundary element-based calculation. The tetrahedral AlO 4 center of the ϵ-Al 13 cluster is symmetric and exhibits only weak quadrupolar coupling, which results in favorable T 1 and T 2 27 Al NMR relaxation coefficients for 27 Al PFGSTE NMR studies. Stokes–Einstein relationship was used to relate the 27 Al diffusion coefficient of the ϵ-Al 13 cluster to the hydrodynamic radius for comparison with theoretical simulations, dynamic light scattering from literature, and previously published 1 H PFGSTE NMR studies of chelated Keggin clusters. This first-of-its-kind observation proves that 27 Al PFGSTE NMR diffusometry can probe symmetric Al environments in polynuclear clusters of greater molecular weight than previously considered.

27Al↗

Static Subspace Approximation for Random Phase Approximation Correlation Energies: Applications to Materials for Catalysis and Electrochemistry

Modeling complex materials using high-fidelity, ab initio methods at low cost is a fundamental goal for quantum chemical software packages. The GW approximation and random phase approximation (RPA) provide a unified description of both electronic structure and total energies using the same physics in a many-body perturbative approach that can be more accurate than generalized-gradient density functional theory (DFT) methods. However, GW/RPA implementations have historically been limited to either specific materials classes or application toward small chemical systems. Here, the static subspace approximation allows for reduced cost full-frequency GW/RPA calculations and has previously been benchmarked thoroughly for GW calculations. Here, we describe our approach to including partial occupations of electronic orbitals in full-frequency GW and RPA calculations for the study of electrocatalysts. We benchmarked RPA total energy calculations using the subspace approximation across a diverse test suite of materials for a variety of computational parameters. The benchmarking quantifies the impact of different extrapolation procedures for representing the static polarizability at infinite screened cutoff, and shows that using screened cutoffs above 20-25 Ryd result in diminishing accuracy returns for predicting RPA total energies. Additionally, for moderately sized electrocatalytic models, 2-3 times fewer computational resources are used to compute RPA total energies by representing the static polarizability with 20-30% of the static subspace basis, with an error of approximately 0.01 eV or better in RPA adsorption energy calculations. Finally, we show that for these electrochemical models RPA can shift DFT adsorption energy shifts by up to 0.5 eV and that GW can frequently shift DFT eigenvalues of surface and adsorbate states by approximately 0.5-1 eV.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NMR T{sub 1} relaxation time measurements and calculations with translational and rotational components for liquid electrolytes containing LiBF{sub 4} and propylene carbonate

Longitudinal relaxation (T{sub 1}) measurements of {sup 19}F, {sup 7}Li, and {sup 1}H in propylene carbonate/LiBF{sub 4} liquid electrolytes are reported. Comparison of T{sub 1} values with those for the transverse relaxation time (T{sub 2}) confirm that the measurements are in the high temperature (low correlation time) limit of the T{sub 1} minimum. Using data from pulsed field gradient measurements of self-diffusion coefficients and measurements of solution viscosity measured elsewhere, it is concluded that although in general there are contributions to T{sub 1} from both translational and rotational motions. For the lithium ions, this is mainly translational, and for the fluorine ions mainly rotational.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗