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NASA NTRS1975

Nonlinear transient neutralization theory of ion beams with dissipation

An analytical theory of nonlinear neutralization waves generated by injection of electrons from a grid in the direction of a homogeneous ion beam of uniform velocity and infinite extension is presented. The electrons are assumed to interact with the ions through the self-consistent space charge field and by strong collective interactions. The associated nonlinear boundary-value problem is solved in closed form by means of a von Mises transformation. It is shown that the electron gas moves into the ion space in the form of a discontinuous neutralization wave. This periodic wave structure is damped out by intercomponent momentum transfer, i.e., after a few relaxation lengths a quasi-neutral beam results. The relaxation scale in space agrees with neutralization experiments of rarefied ion beams, if the collective momentum transfer between the electron and ion streams is assumed to be of the Buneman type.

Wilhelm, H. E.↗

NASA NTRS1984

Electromagnetic ion beam instabilities

The linear theory of electromagnetic instabilities driven by an energetic ion beam streaming parallel to a magnetic field in a homogeneous Vlasov plasma is considered. Numerical solutions of the full dispersion equation are presented. At propagation parallel to the magnetic field, there are four distinct instabilities. A sufficiently energetic beam gives rise to two unstable modes with right-hand polarization, one resonant with the beam, the other nonresonant. A beam with sufficiently large T (perpendicular to B)/T (parallel to B) gives rise to the left-hand ion cyclotron anisotropy instability at relatively small beam velocities, and a sufficiently hot beam drives unstable a left-hand beam resonant mode. The parametric dependences of the growth rates for the three high beam velocity instabilities are presented here. In addition, some properties at oblique propagation are examined. It is demonstrated that, as the beam drift velocity is increased, relative maxima in growth rates can arise at harmonics of the ion cyclotron resonance for both right and left elliptically polarized modes.

Gary, S. P.↗

NASA NTRS1985

Electrostatic instabilities in plasmas with two electron components

This paper considers the linear theory of electrostatic Vlasov instabilities driven by the relative drift between two Maxwellian electron components in an unmagnetized, homogeneous plasma bearing zero current. The dispersion properties, threshold drift speeds and growth rates of the electron beam instability, the conventional ion acoustic instability, and the ion acoustic beam instability are compared in detailed parametric studies. A new way of illustrating the parameter regimes in whih each of these three instabilities has the lowest threshold drift speed is demonstrated. This leads to clearly illustrated criteria for determining when enhanced electrostatic fluctuations between the ion and the electron plasma frequencies may be observed in plasmas with two electron components. In the case of a hot beam this criterion is a beam density n(b) which satisfies n(b)/n(e) is between 0.05 and 0.30 where n(e) is the total electron density.

Gary, S. P.↗

NASA NTRS1994

The proton cyclotron instability and the anisotropy/B inverse correlation

Spacecraft observations in the strongly compressed subsolar magnetosheath show an inverse correlation between the proton temperature anistrophy (T(sub perpendicular to p)/T(sub parallel to p) greater than 1 where perpendicular to and parallel to denote directions perpendicular and parallel to the background magnetic field) and the parallel proton beta (beta(sub parallel to p). This manuscript uses one-dimensional hybrid simulations of the proton cyclotron anisotropy instability in homogeneous electron-proton plasmas to study this correlation which may represent a limited closure relation for fluid theories of anisotropic space plasmas. The emphasis is on driven simulation which increase the temperature anisotropy by periodically reducing the magnetic-field-aligned velocities of the protons. The late-time states from ensembles of both initial value and driven simulations yield very similar expressions for the proton anisotropy/beta(sub parallel to P) inverse correlation, and provide a basis for explaining differences between sheath observations from different spacecraft. The driven simulations also yield expressions for the maximum instability growth rate and the fluctuating field energy as functions of beta (sub parallel to p) and a parameter characterizing the anisotropy driver.

Gary, S. Peter↗

NASA NTRSDate not supplied

Variational Asymptotic Homogenization of Finitely Deformed Viscoelastic-Viscoplastic Composites

The objective of this paper is to develop a constitutive model for finitely deformed viscoelastic-viscoplastic materials and a micromechanics approach to homogenizing composites consisting of such materials. The development of the constitutive model involves establishing a thermodynamic framework based on finite strain theory, developing a viscoelasticity and a viscoplasticity model based on the thermodynamic framework, developing a radial return algorithm based on a classic framework, and deriving a closed-from incremental constitutive relation in the spatial configuration. The development of the micromechanics approach involves pulling-back the above constitutive relation to the material configuration, formulating a variational statement with the resulting constitutive relation, discretizing variational statement in a finite-dimensional space, and solving the discretized variational statement using an Euler–Newton predictor–corrector method. The constitutive model is calibrated via monotonic uniaxial compression tests on a polymer, and the calibrated model is validated by comparing its predictions with the cyclic test data. It is shown capable of characterizing viscoelasticity, viscoplasticity, and complex loading paths. The micromechanics approach’s capabilities are demonstrated through homogenizing a unidirectional fiber-reinforced composite, subjected to uniaxial, biaxial, and shear loading, at different strain rates. It is demonstrated to be capable of handling rate dependence and complex loading paths. The present framework can be further improved by implementing more sophisticated viscoelasticity and viscoplasticity models in future work.

Finite element analysis↗

NASA NTRS1992

Rapid distortion analysis and direct simulation of compressible homogeneous turbulence at finite Mach number

The effect of rapid mean compression on compressible turbulence at a range of turbulent Mach numbers is investigated. Rapid distortion theory (RDT) and direct numerical simulation results for the case of axial (one-dimensional) compression are used to illustrate the existence of two distinct rapid compression regimes. These regimes are set by the relationships between the timescales of the mean distortion, the turbulence, and the speed of sound. A general RDT formulation is developed and is proposed as a means of improving turbulence models for compressible flows.

Cambon, C.↗

DOE OSTI2025

Enhanced Activity in Layered Metal-Oxide-Based Oxygen Evolution Catalysts by Layer-by-Layer Modulation of Metal-Ion Identity

Few-layered potassium nickel and cobalt oxides show drastic differences in catalytic activity based on metal ion preorganization. Uniform compositions [(CoO 2 /K) 6 or (NiO 2 /K) 6 ] show limited activity, while homogeneously mixed-metal cobalt/nickel oxides [(Co n Ni (1–n) O 2 /K) 6 ] display moderate improvement. However, a layer-by-layer arrangement of alternating cobalt and nickel oxide sheets [e.g., (CoO 2 /K/NiO 2 /K)] provides superior catalytic performance, reducing the oxygen evolution overpotential by ∼200–400 mV. Density functional theory simulations provide an illustration of the electronic properties (density of states and localization of orbitals) that promote catalysis in the layer-segregated materials over those of homogeneous composition. This study reveals that atomic preorganization of metal ions within layered catalysts plays a more crucial role than the overall metal composition in enhancing catalytic efficiency for oxygen evolution.

catalysts↗

DOE OSTI2026

Atomic-Scale Imaging Reveals Polar-π Interactions in Two-Dimensional Molecular Superlattices

Controlling coassembly of synthetic oligomers into binary superlattices at the atomic level is challenging. Here, we report a strategy for programming polar-π interactions in oligomeric peptoids, a class of sequence-defined peptidomimetics, facilitating the formation of homogeneous two-dimensional (2D) superlattices. N-2-phenylethyl and N-(2-perfluorophenyl)ethyl side chains, similar in size, but with contrasting electrostatic characteristics, were introduced at defined sequence positions to generate favorable dipolar aromatic interactions. The resulting nanosheets exhibit different crystal motifs depending on the side chain interactions: systems containing only one type of aromatic side chain form a parallel V-shaped motif driven by π-π interactions, whereas a combination of both types of aromatic side chains, either within one backbone or through the coassembly of two distinct peptoids, adopt an antiparallel V-shaped superlattice with higher thermal stability, driven by polar-π interactions. Cryogenic transmission electron microscopy directly resolved the packing arrangement of perfluorophenyl and phenyl rings in individual nanosheet superlattices, confirming that intermolecular polar-π interaction dominates the superlattice motifs and increases lattice stability. Molecular dynamics simulations and density functional theory calculations further substantiate the energetic favorability of polar-π interactions over π-π interactions, rationalizing the formation of homogeneous superlattices with enhanced thermal stability. Our discoveries establish a design principle for binary coassembly using sequence-defined oligomers, which enables control over unit cell geometry, lattice stability, and molecular registration through aromatic side chain polarization and sequence control. This ability to program atomic-scale binary superlattices opens new avenues for designing functional 2D soft materials.

Lee, Yen Jea [Lawrence Berkeley National Laborator↗

NASA NTRS2010

Broken Ergodicity in Ideal, Homogeneous, Incompressible Turbulence

We discuss the statistical mechanics of numerical models of ideal homogeneous, incompressible turbulence and their relevance for dissipative fluids and magnetofluids. These numerical models are based on Fourier series and the relevant statistical theory predicts that Fourier coefficients of fluid velocity and magnetic fields (if present) are zero-mean random variables. However, numerical simulations clearly show that certain coefficients have a non-zero mean value that can be very large compared to the associated standard deviation. We explain this phenomena in terms of broken ergodicity', which is defined to occur when dynamical behavior does not match ensemble predictions on very long time-scales. We review the theoretical basis of broken ergodicity, apply it to 2-D and 3-D fluid and magnetohydrodynamic simulations of homogeneous turbulence, and show new results from simulations using GPU (graphical processing unit) computers.

Morin, Lee↗

NASA NTRS1974

On the theory of large amplitude Alfven waves

Solutions of the MHD equations are derived, which describe the propagation of nonplanar large-amplitude Alfven waves in an infinite homogeneous plasma with no background flow. Some features of interplanetary Alfven waves are discussed, and a typical solution is described qualitatively.

Goldstein, M. L.↗

NASA NTRS1993

Rapid Distortion Analysis and Direct Simulation of Compressible Homogeneous Turbulence at Finite Mach Number

The effect of rapid mean compression on compressible turbulence at a range of turbulent Mach numbers is investigated. Rapid dist'ortion theory (RDT) and direct numerical simulation results for the case of axial (one-dimensional) compression are used to illustrate the existence of two distinct rapid compression regimes. These regimes - the nearly solenoidal and the 'pressure-released' - are defined by a single parameter involving the timescales of the mean distortion, the turbulence, and the speed of sound. A general RDT formulation is developed and is proposed as a means of improving turbulence models for compressible flows. In contrast to the well-documented observation that 'compressibility' (measured, for example, by the turbulent Mach number) is often associated with a decrease in the growth rate of turbulent kinetic energy, we find that under rapid distortion compressibility can produce an amplification of the kinetic energy growth rate. We also find that as the compressibility increases, the magnitude of the pressure-dilation correlation increases, in absolute terms, but its relative importance decreases compared to the magnitude of the kinetic energy production.

Cambon, C.↗

DOE OSTI2023

Automatic Time Step Control to Resolve Hydromechanically Driven Fault Reactivation, Spontaneous Nucleation, and Seismic Arrest

Abstract A physical understanding of the progression from flow‐driven (quasi‐static) poromechanical deformation to dynamic fault rupture is critical to the resilient operations of several engineering systems. These processes are bridged by a progression from fault reactivation to the spontaneous nucleation of unstable sliding. Toward addressing this challenge, novel automatic time step size control methods are developed to enable accurate and efficient simulation of these dynamics and transitions from the first principles. The controllers combine local models for discretization error and Coulomb failure conditions to automatically adjust the time step size across several orders of magnitude. The methods do not require additional empirical or theoretical input and can resolve the pre‐rupture, interseismic, and seismic periods to the allowed accuracy. The computational results reveal that the proposed methods automatically capture the onset of reactivation and nucleation for homogeneous and heterogeneous fields. Hydrodynamic and structural heterogeneity lead to disparate critical nucleation sizes compared to those predicted by theory. The results highlight its potential in predicting induced seismicity in realistic subsurface engineering systems and at practical scales.

Environmental Sciences & Ecology↗

DOE OSTI2026

Radial oscillations of viscous neutron stars: Zero diffusion case

In this article, the spectrum of radial oscillations of neutron stars is systematically studied within two frameworks of viscous relativistic hydrodynamics: the relativistic Navier-Stokes and Israel-Stewart theories. A correspondence is established between the discrete stellar eigenmodes and the continuous dispersion relation of perturbations around a homogeneous fluid, providing a basis for interpreting our numerical results. We analyze the Newtonian limit and assess the impact of relativistic corrections, such as the gravitational redshifting of microscopic relaxation timescales. We show that bulk viscosity can significantly affect the behavior of both hydrodynamic and nonhydrodynamic fundamental modes, and that, depending on the magnitude of the viscous effects, it is the nonhydrodynamic mode that becomes unstable beyond the turning point in a sequence of equilibrium configurations. These results provide a useful step toward systematic studies of neutron star quasinormal modes in the presence of viscosity.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1985

A cosmic ray driven instability

The interaction between energetic charged particles and thermal plasma which forms the basis of diffusive shock acceleration leads also to interesting dynamical phenomena. For a compressional mode propagating in a system with homogeneous energetic particle pressure it is well known that friction with the energetic particles leads to damping. The linear theory of this effect has been analyzed in detail by Ptuskin. Not so obvious is that a non-uniform energetic particle pressure can addition amplify compressional disturbances. If the pressure gradient is sufficiently steep this growth can dominate the frictional damping and lead to an instability. It is important to not that this effect results from the collective nature of the interaction between the energetic particles and the gas and is not connected with the Parker instability, nor with the resonant amplification of Alfven waves.

Dorfi, E. A.↗

NASA NTRS1995

On the nonlinear stability of the unsteady, viscous flow of an incompressible fluid in a curved pipe

The stability of the flow of an incompressible, viscous fluid through a pipe of circular cross-section curved about a central axis is investigated in a weakly nonlinear regime. A sinusoidal pressure gradient with zero mean is imposed, acting along the pipe. A WKBJ perturbation solution is constructed, taking into account the need for an inner solution in the vicinity of the outer bend, which is obtained by identifying the saddle point of the Taylor number in the complex plane of the cross-sectional angle co-ordinate. The equation governing the nonlinear evolution of the leading order vortex amplitude is thus determined. The stability analysis of this flow to periodic disturbances leads to a partial differential system dependent on three variables, and since the differential operators in this system are periodic in time, Floquet theory may be applied to reduce this system to a coupled infinite system of ordinary differential equations, together with homogeneous uncoupled boundary conditions. The eigenvalues of this system are calculated numerically to predict a critical Taylor number consistent with the analysis of Papageorgiou. A discussion of how nonlinear effects alter the linear stability analysis is also given, and the nature of the instability determined.

Shortis, Trudi A.↗

NASA NTRS1979

Diffuse reflectance of the ocean - The theory of its augmentation by chlorophyll a fluorescence at 685 nm

The radiative transfer equation is modified to include the effect of fluorescent substances and solved in the quasi-single scattering approximation for a homogeneous ocean containing fluorescent particles with wavelength independent quantum efficiency and a Gaussian shaped emission line. The results are applied to the in vivo fluorescence of chlorophyll a (in phytoplankton) in the ocean to determine if the observed quantum efficiencies are large enough to explain the enhancement of the ocean's diffuse reflectance near 685 nm in chlorophyll rich waters without resorting to anomalous dispersion. The computations indicate that the required efficiencies are sufficiently low to account completely for the enhanced reflectance. The validity of the theory is further demonstrated by deriving values for the upwelling irradiance attenuation coefficient at 685 nm which are in close agreement with the observations.

Gordon, H. R.↗

NASA NTRS1998

Directional Solidification and Characterization of Hg(0.89) Mn(0.11)Te

Two boules of Hg(0.89)Mn(0.11)Te(MMT) were solidified using the vertical Bridgman-Stockbarger method. Translation rates of 0.09 and 0. 18 microns/s were used. The influence of growth rate on axial compositional homogeneity in the MMT boules was evaluated experimentally by conducting precision density measurements on radial slices taken from each boule. In addition, Plane Front Solidification theory and segregation coefficient (k) data for the Hg(1-x)Mn(x)Te system were used to fit theoretical composition profiles to the measured MMT axial composition profiles. The strong correlation between the measured and calculated MMT axial composition profiles indicates diffusion dominated axial solute redistribution in the boules under the applied growth conditions. The analysis of the MMT axial composition profiles by Plane Front Solidification theory allowed the calculation of the effective diffusion coefficient (D(eff) = 3.5 x l0(exp -5) sq cm/s). The k-values for the Hg(1-x)Mn(x)Te system and the D(sub eff) - value were then used to verify that both boules were solidified under conditions which did not exceed the Constitutional Supercooling Criteria under ideal conditions. Finally, a preliminary examination of the radial compositional variation in each MMT was made using Fourier Transform Infra-Red Spectroscopy (FTIR). The radial homogeneity in the MMT boules was found to be comparable for both translation rates.

Price, M. W.↗

DOE OSTI2020

DFT Plus DMFT Study of Spin-Charge-Lattice Coupling in Covalnt LaCoO{siub 3}.

We study energetics and the nature of both homogeneous and mixed spin (MS) states in LaCoO3 incorporating structural changes of the crystal volume expansion and the Co-O bond disproportionation (BD) during the spin-state transition using the density functional theory plus dynamical mean field theory (DFT + DMFT) method. DFT + DMFT predicts that energetics of both excited spin states are almost the same while DFT + U calculations of the same structures energetically favor the MS states and produce various metastable solutions whose energetics depend sensitively on final spin states. Within DFT + DMFT, the homogeneous spin state in the expanded crystal volume shows the multiconfigurational nature with non-negligible occupancy probabilities of both high spin (HS) and low spin (LS) states along with d(6) and d(7) charge configurations indicating the dynamically fluctuating nature of spin and charge states due to the Co-O covalency. The nature of the MS state under the BD structure reveals that Co sites with the long Co-O bonds develop a Mott insulating state and favor HS with a d(6) configuration, while more covalent Co sites with the short Co-O bonds occupy more LS states with a d(7) configuration and behave as a band insulator, as a result, charge ordering is induced in the BD structure from the spin-state ordering. We also find that both energetics and electronic structure sensitively depend on the Co-O covalency effect, which can be tuned by changing the double counting potential and the resulting d occupancy (N-d), and N-d close to 6.7 is consistent with the nature of the spin-state transition. Our results show that structural changes during the spin-state transition can play an important role in understanding energetics and electronic structure of LaCoO3.

Park, Hyowon↗