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At least 613 records · Page 34

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NASA NTRS2007

Microbial Extremophiles in Aspect of Limits of Life

During Earth's evolution accompanied by geophysical and climatic changes a number of ecosystems have been formed. These ecosystems differ by the broad variety of physicochemical and biological factors composing our environment. Traditionally, pH and salinity are considered as geochemical extremes, as opposed to the temperature, pressure and radiation that are referred to as physical extremes (Van den Burg, 2003). Life inhabits all possible places on Earth interacting with the environment and within itself (cross species relations). In nature it is very rare when an ecotope is inhabited by a single species. As a rule, most ecosystems contain the functionally related and evolutionarily adjusted communities (consortia and populations). In contrast to the multicellular structure of eukaryotes (tissues, organs, systems of organs, whole organism), the highest organized form of prokaryotic life in nature is the benthic colonization in biofilms and microbial mats. In these complex structures all microbial cells of different species are distributed in space and time according to their functions and to physicochemical gradients that allow more effective system support, self-protection, and energy distribution. In vitro, of course, the most primitive organized structure for bacterial and archaeal cultures is the colony, the size, shape, color, consistency, and other characteristics of which could carry varies specifics on species or subspecies levels. In table 1 all known types of microbial communities are shown (Pikuta et a]., 2005). In deep underground (lithospheric) and deep-sea ecosystems an additional factor - pressure, and irradiation - could also be included in the list of microbial communities. Currently the beststudied ecosystems are: human body (due to the medical importance), and fresh water and marine ecosystems (due to the reason of an environmental safety). For a long time, extremophiles were terra incognita, since the environments with aggressive parameters (compared to the human body temperature, pH, mineralization, and pressure) were considered a priori as a dead zone.

Pikuta, Elena V.↗

NASA NTRS2018

Predicting Global Ground Geoelectric Field With Coupled Geospace and Three-Dimensional Geomagnetic Induction Models

We forecast the global effects of space weather on the geoelectric and geomagnetic fields using a novel combination of methods. We use a realistic three-dimensional (3-D) model of Earth's electrical conductivity and a realistic representation of magnetospheric and ionospheric current systems. Our scheme involves the following steps: (1) We run a global magnetohydrodynamic model of the magnetosphere coupled to an electrostatic model of the ionosphere. (2) We calculate a global time series of the ground magnetic field resulting from the ionospheric, field-aligned, and magnetospheric currents of the global magnetohydrodynamic model. (3) We approximate this external field by an equivalent source current flowing in a thin shell above Earth. (4) We calculate a global time series of geoelectric and geomagnetic fields from the equivalent current and a 3-D conductivity model of Earth that also takes into account the coast effect due to large horizontal conductivity gradient. We verify our implementation by comparing the results against known analytic and numeric solutions, and then apply our scheme to the geomagnetic storm of 14 and 15 December 2006. In particular, we show that accounting for 3-D structure of Earth's conductivity results in significantly enhanced geoelectric field at large lateral gradients of conductivity, especially in coastal regions, both at middle and high latitudes. In the studied geomagnetic storm the largest values of 3-D geoelectric field are detected at high latitudes reaching 2.5 volts per kilometer and the 3-D effect extends inland by a few hundred kilometers.

Honkonen, I.↗

DOE OSTI2020

Setting the H-mode pedestal structure: variations of particle source location using gas puff and pellet fueling

Experiments in DIII-D show that a particle source location inside the top of the H-mode pedestal (pellets) maintains a higher pedestal pressure than an edge source (gas fueling) through a widening of the electron temperature pedestal with reduction of the temperature gradient. The effect of these two fueling schemes on the H-mode pedestal structure was examined in DIII-D by comparing controlled pellet-fueled and gas-fueled discharges across a fueling scan up to 40 torr 1 s –1 . High resolution electron profiles reveal that gas fueling lowers the pedestal pressure as the density profile shifts radially outwards and the separatrix density increases, while pellet fueling maintains a constant pedestal pressure. The neutral source locations from pellets and gas are determined with the PELLET and UEDGE codes, respectively, and quantify the particle source localization. Pellets provide significant ionization inside the pedestal top while gas puffing localizes ionization in the scrape-off-layer and pedestal foot, broadly consistent with the density profile structure influenced by the source. ELMs are observed to increase in frequency and reduce impurity content as fueling is increased. Stability analysis with ELITE shows that both conditions are near the type-I ELM corner of the peeling–ballooning stability diagram, which is altered significantly by the introduction of pellets. Since transport mechanisms are not observed to change substantially with particle source location, wider pedestals allow the pellet-fueled discharges to retain higher pedestal temperatures at similar pedestal densities. EPED1 is tested to capture the pedestal pressure, under-predicting the height with pellets and over-predicting the height with gas by ~15%. Overall, these results have important implications for future reactors where pellet fueling will be the primary particle source due to an opaque scrape-off-layer by showing that the neutral source location plays a role in setting the structure of the H-mode pedestal.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

Spatiotemporal structure of edge harmonic oscillation and its role in ELM-free QH-mode at KSTAR

In Quiescent H-mode (QH-mode), edge-localized modes (ELMs) are naturally replaced by a low-n edge harmonic oscillation (EHO), yet the self-regulating transport mechanism driven by the EHO remains insufficiently understood. Using high-spatiotemporal-resolution imaging diagnostics on KSTAR—electron cyclotron emission imaging and broadband electron cyclotron emission—we resolve the eigenmode structure of the EHO and elucidate its regulatory role in edge transport. The EHO is localized within the pedestal near the maximum pressure gradient, propagates in the ion-diamagnetic direction, and its radial envelope expands with increasing shear, suggesting that rotational shear is closely associated with the structural evolution of the EHO. Information-theoretic Transfer Entropy analysis identifies a distinct ‘dual-stabilization’ regulatory interaction pattern: the EHO is associated with enhanced outward energy transport to limit the pressure gradient, while the background shear flow is associated with preferential regulatory influence on the EHO saturation amplitude and energy flux. These results demonstrate that the QH-mode pedestal is sustained by a shear-associated regulation mechanism, where the coupling between rotational shear and mode structure appears closely linked to the sustained ELM-free state.

ECEI↗

NASA NTRS1991

Structure and functions of water-membrane interfaces and their role in proto-biological evolution

Among the most important developments in proto-biological evolution was the emergence of membrane-like structures. These are formed by spontaneous association of relatively simple amphiphilic molecules that would have been readily available in the primordial environment. The resulting interfacial regions between water and nonpolar interior of the membrane have several properties which made them uniquely suitable for promoting subsequent evolution. They can (1) selectively attract organic material and mediate its transport, (2) serve as simple catalysts for chemical reactions, and (3) promote the formation of trans-membrane electrical and chemical gradients which could provide energy sources for proto-cells. Understanding the structure of interfaces, their interactions with organic molecules and molecular mechanisms of their functions is an essential step to understanding proto-biological evolution. In our computer simulation studies, we showed that the structure of water at interfaces with nonpolar media is significantly different from that in the bulk. In particular, the average surface dipole density points from the vapor to the liquid. As a result, negative ions can approach the interface more easily than positive ions. Amphiphilic molecules composed of hydrocarbon conjugated rings and polar substituents (e.g., phenol) assume at the interface rigid orientations in which polar groups are buried in water while hydrocarbon parts are located in the nonpolar environment. These orientational differences are of special interest in connection with the ability of some of these molecules to efficiently absorb photons. Flexible molecules with polar substituents often adopt at interfaces conformations different from those in the bulk aquaeous solution and in the gas phase. As a result, in many instances both specificity and kinetics of chemical reactions in which these molecules can participate is modified by the presence of surfaces. Of special interest is the mechanism by which polar molecules are transferred across interface between water and a nonpolar medium. Our recent study showed that simple ionophores bind ions by the same mechanisms as ion channels and carriers from modern cells.

Pohorille, A.↗

DOE OSTI2025

First-principles study of structural, elastic, electronic, transport properties, and dielectric breakdown of Cs 2 Te photocathode

The pursuit to operate photocathodes at high accelerating gradients to increase brightness of electron beams is gaining interests within the accelerator community, particularly for applications such as free electron lasers (FEL) and compact accelerators. Cesium telluride (Cs 2 Te) is a widely used photocathode material and it is presumed to offer resilience to higher gradients because of its wider band gap compared to other semiconductors. Despite its advantages, crucial material properties of Cs 2 Te remain largely unknown both in theory and experiments. In this study, we employ first-principles calculations to provide detailed structural, elastic, electronic and transport properties of Cs 2 Te. It is found that Cs 2 Te has an intrinsic mobility of 20 cm 2 /Vs for electrons and 2.0 cm 2 /Vs for holes at room temperature. The low mobility is primarily limited by the strong polar optical phonon scattering. Cs 2 Te also exhibits ultralow lattice thermal conductivity of 0.2 W/(m*K) at room temperature. Based on the energy gain/loss balance under external field and electron–phonon scattering, we predict that Cs 2 Te has a dielectric breakdown field in the range from ~ 60 to ~ 132 MV/m at room temperature dependent on the doping level of Cs 2 Te. Our results are crucial to advance the understanding of applicability of Cs 2 Te photocathodes for high-gradient operation.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A Perturbative Solution for Nonlinear Stratified Upwelling over a Frictional Slope

Abstract A perturbative solution of simplified primitive equations for nonlinear weakly stratified upwelling over a frictional slope is found that resolves the vertical structure of velocity fields and can satisfy Ertel’s potential vorticity conservation in the stratified inviscid interior. The solution uses assumptions consistent with the model proposed by Lentz and Chapman, including a steady-state, constant cross-shore density gradient, no alongshore gradients, laterally inviscid, and consideration of cross-shore advection of alongshore momentum. The solution resolves the vertical structure of velocity fields (including subsurface maxima of compensational flow, not resolved by Lentz and Chapman) and can satisfy Ertel’s potential vorticity conservation in the stratified inviscid interior. The dynamics are similar to Lentz and Chapman; bottom stress balances alongshore wind stress in a homogeneous density ocean and is replaced by nonlinear cross-shore transport of alongshore momentum as the Burger number (S=αN/f, whereα,N, andfare the bottom slope, buoyancy frequency, Coriolis frequency, respectively) increases. When the solution uses the empirical relation between cross-shore and vertical density gradients proposed by Lentz and Chapman, vorticity conservation is not satisfied and the nonlinear momentum transport estimated by the solution linearly increases withS, asymptotically matching Lentz and Chapman forS< 1. When the solution conserves interior potential vorticity, the momentum transport is proportional toS 2 forS< 1 and is in better agreement with numerical simulations.

Oceanography↗

NASA NTRS1992

Sub-domain decomposition methods and computational controls for multibody dynamical systems

This paper presents a concurrent methodology to simulate the dynamics of flexible multibody systems with a large number of degrees of freedom. A general class of open-loop structures is treated and a redundant coordinate formulation is adopted. A range space method is used in which the constraint forces are calculated using a preconditioned conjugate gradient method. By using a preconditioner motivated by the regular ordering of the directed graph of the structures, it is shown that the method is order N in the total number of coordinates of the system. The overall formulation has the advantage that it permits fine parallelization and does not rely on system topology to induce concurrency. It can be efficiently implemented on the present generation of parallel computers with a large number of processors. Validation of the method is presented via numerical simulations of space structures incorporating large number of flexible degrees of freedom.

Menon, R. G.↗

NASA NTRS1984

The influence of ocean surface temperature gradient and continentality on the Walker circulation. I - Prescribed tropical changes

A coarse mesh global climate model has been developed to assess ocean surface temperature (OST) gradient and continentality influences on the Walker circulation, which is characterized in the zonal plane by three pairs of clockwise and counterclockwise cells in the troposphere. The model response exhibits statistically significant changes in the intensity of the various cells and branches with small shifts in the east-west extent. The overall structure in the zonal plane for experiments with the coldest and with mean temperatures, however, remained unchanged. In an experiment involving the replacement of the South American continent by an ocean with OSTs linearly interpolated from the eastern Pacific to the western Atlantic, a dramatic change took place in the structure of the Walker circulation. It is concluded that both continentality and OST gradient are important Walker circulation forcing mechanisms.

Chervin, R. M.↗

NASA NTRS1969

Continuous and discrete RAE structural models.

Three dimensional coupled flexural and attitude dynamics of libration-damped cruciform gravity gradient satellite, discussing effects of orbital eccentricity, solar radiation pressure, etc

Farrell, J. L.↗

NASA NTRS2001

Laminarization of Turbulent Boundary Layer on Flexible and Rigid Surfaces

An investigation of the control of turbulent boundary layer flow over flexible and rigid surfaces downstream of a concave-convex geometry has been made. The concave-convex curvature induces centrifugal forces and a pressure gradient on the growth of the turbulent boundary layer. The favorable gradient is not sufficient to overcome the unfavorable; thus, the net effect is a destabilizing, of the flow into Gortler instabilities. This study shows that control of the turbulent boundary layer and structural loading can be successfully achieved by using localized surface heating because the subsequent cooling and geometrical shaping downstream over a favorable pressure gradient is effective in laminarization of the turbulence. Wires embedded in a thermally insulated substrate provide surface heating. The laminarized velocity profile adjusts to a lower Reynolds number, and the structure responds to a lower loading. In the laminarization, the turbulent energy is dissipated by molecular transport by both viscous and conductivity mechanisms. Laminarization reduces spanwise vorticity because of the longitudinal cooling gradient of the sublayer profile. The results demonstrate that the curvature-induced mean pressure gradient enhances the receptivity of the flow to localized surface heating, a potentially viable mechanism to laminarize turbulent boundary layer flow; thus, the flow reduces the response of the flexible structure and the resultant sound radiation.

Maestrello, Lucio↗

DOE OSTI2021

Explicit physics-informed neural networks for nonlinear closure: The case of transport in tissues

In upscaling methods, closures for nonlinear problems present a well-known challenge. While a number of theoretical methods have been proposed for handling such closures, nonlinearities still remain a significant obstacle for many problems. In this work, we use a combination of formal upscaling and data-driven machine learning for explicitly closing a nonlinear transport and reaction process in multiscale tissues. The classical effectiveness factor model is used to formulate the macroscale reaction kinetics. We train a multilayer perceptron network using training data generated by direct numerical simulations over microscale examples. Once trained, the network is used in an algorithm for numerically solving the upscaled (coarse-grained) differential equation describing mass transport and reaction in two example tissues. The network is described as being explicit in the sense that the network is trained using macroscale concentrations and gradients of concentration as components of the feature space rather than incorporating them as part of a constraint in the optimization process. Network training and solutions to the macroscale transport equations were computed for two different tissues. The two tissue types (brain and liver) exhibit markedly different geometrical complexity and spatial scale (cell size and sample size). The upscaled solutions for the average concentration are compared with numerical solutions derived from the microscale concentration fields by a posteriori averaging. There are three outcomes of this work of particular note. 1) Our overall approach results in an upscaled nonlinear PDE. The PDE is closed using a neural network, and our approach results in the definition of the classical effectiveness factor for effecting closure. 2) We identify particular source terms for the closure problem that are important for representing the structure of the closure. These source terms involve macroscale concentrations and their gradients. We adopt these source terms to use as explicit features in the learning algorithm. We find the trained networks that include the macroscale source terms generate models that are able to predict the correction factor with increased fidelity over those that do not. 3) We find that the trained network exhibits good generalizability, and it is able to predict the effectiveness factor with high fidelity for realistically-structured tissues despite the significantly different scale and geometrical complexity of the two example tissue types. This latter result emphasizes our purposeful connection between conventional averaging methods with the use of machine learning for closure; this contrasts with some machine learning methods for upscaling where the exact form of the macroscale equation remains unknown.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

Transverse Stability in an Alternating Symmetry Planar Dielectric Wakefield Structure

Dielectric Wakefield Acceleration (DWA) is a promising technique for realizing the next generation of linear colliders. It provides access to significantly higher accelerating gradients than traditional radio-frequency cavities. One impediment to realizing a DWA-powered accelerator is the issue of the transverse stability of the beams within the dielectric structure due to short-range wakefields. These short-range wakefields have a tendency to induce a phenomenon known as single-bunch beam breakup, which acts as its name implies and destroys the relevant beam. We attempt to solve this issue by leveraging the quadrupole mode excited in a planar dielectric structure and then alternating the orientation of said structure to turn an unstable system into a stable one. We examine this issue computationally to determine the limits of stability and based on those simulations describe a future experimental realization of this strategy.

43 PARTICLE ACCELERATORS↗

NASA NTRS1988

Relaxation of impact basins on icy satellites

The problem of relaxation of very large impact craters on icy satellites is addressed and the extent to which such studies can help place constraints on the nature of such satellite interiors is investigated. Very general calculations aimed at understanding the nature of relaxation of large impact structures, including the directions, relaxation velocities, and stress levels, are presented. The dependence of relaxation on such factors as silicate core size and viscosity gradients in the ice is examined. The general results are used to address whether comparing the current morphology of impact basins to estimates of their original shape will yield an understanding of the thermal and mechanical structure of the interiors of the icy satellites. It is found that the relaxation rates derived from models of satellite interiors can provide constraints on viscous layer thicknesses. High thermal gradients can permit substantial relaxation even in thin viscous layers. Finally, the constraints on the internal structure of Tethys arising from the extremely relaxed state of the Odysseus basin and the existence of Ithaca Chasma are discussed.

Thomas, Paul J.↗

NASA NTRS1989

Turbulence control in wall flows

Most of the detailed turbulence-structure data available pertain only to the simplest cases, involving zero pressure-gradient boundary layers and free-shear layers, and indicate that each disparate geometry possesses its own set of dominant nonlinear instabilities. Various boundary/input conditions act to modify these instabilities for low input levels; for stronger inputs, the basic instability modes/structures sustaining the turbulence field may be altered. Steady-state inputs are noted to be extremely effective in altering turbulence structures, in the directions of either amplification or diminution.

Bushnell, Dennis M.↗

DOE OSTI2022

Spatiotemporal Structure in Intense THz Pulsed Beams

Optically generated terahertz radiation, with gigavolt per meter (GV/m) electric fields accessible in tabletop experiments, provides a promising source of accelerating gradients for future particle accelerator applications. Manipulation and characterization of radiation is essential for efficiently producing high fields and effectively delivering them to an accelerating structure or interaction region. The talk will cover a method of generating and characterizing high quality and structured terahertz pulsed laser beams for compact particle acceleration.

Hine, George↗

DOE OSTI2026

Deciphering the Solvation Structure of Aqueous ZnCl 2 Solutions from X-ray Absorption Spectra Using the Interpretable Graph Neural Network

Machine learning (ML) provides powerful pathways for predicting spectroscopic observables from atomic structures, but its broader impact depends on making model predictions interpretable in terms of physical and chemical principles. Here, we introduce a physics-guided graph neural network (GNN) model that predicts Zn K-edge X-ray spectroscopy (XAS) spectra of aqueous ZnCl 2 solutions. Training data are generated from ab initio XAS calculations on molecular dynamics snapshots obtained using a machine learning interatomic potential. The GNN reproduces experimental spectra across concentrations from dilute (<0.1 m) to highly concentrated (30 m, “water-in-salt”) regimes and scales efficiently to large, disordered liquid systems beyond the reach of conventional ab initio approaches. Gradient-based attribution analysis reveals that the model learns physically meaningful structure-spectrum relationships. Ligand-specific attributions reflect orbital hybridization patterns and the origin of the excitations derived from the density functional theory. Bond-length attributions recover spectral shifts consistent with multiple-scattering theory. Finally, this work bridges data-driven prediction with electronic-structure theory, establishing a general paradigm for interpretable ML that links atomic structure, electronic structure, and spectroscopic observables.

25 ENERGY STORAGE↗

NASA NTRS1990

Structure of three-dimensional turbulent boundary layers

The changes that occur in the Reynolds-stress-producing motion when a cross-stream pressure gradient is applied to an initially two-dimensional turbulent flow are discussed. Two examples are used: (1) a temporal simulation of a channel flow with crossflow applied by a spanwise pressure gradient for t is greater than 0; and (2) a spatial simulation of the boundary layer on an infinite swept wing. Evidence examined to date suggests that the structural changes in the two cases are similar, but the mechanisms may be significantly different, even if effects peculiar to the viscous wall region are ignored. The results from (2) are provisional, based on too short a time series for accurate statistical averages to be obtained. We treat turbulence 'statistics' (solutions of the Navier-Stokes equations in three space dimensions and time) in the same way as experiments: both have limitations of accuracy but both are acceptable representations of real fluid flows.

Bradshaw, P.↗