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NASA NTRS1985

Parameterization of Surface Fluxes in the VVR Fourth Order GCM

The Variable Vertical Resolution (VVR) option of the GLAS Fourth Order General Circulation Model (GCM) allows one to enhance the vertical resolution of the region of the atmosphere adjacent to the Earth's surface. This, in turn, makes it possible to compute turbulent surface fluxes of heat, momentum and moisture directly from the prognosticated properties of the lowest model layer by use of the Monin-Obukhov surface layer similarity theory. The similarity theory applies formally only to the constant flux surface layer which is but a few tens of meters deep. It is not practically feasible to work with a lowest GCM layer thin enough to satisfy these formal constraints. It is shown that at least under conditions of neutral stratification, the similarity theory can be extended beyond its formal limits. The theory still gives reasonable looking results, when the distance from the ground becomes as large as 150 m. It is not infeasible to run the VVR model with a lowest layer thickness on the order of 300 m (the center of the layer would then be 150 m above the Earth's surface), and so if one can prescribe similarity functions phi sub m (zeta) and phi sub h (zeta) to adequately describe the entire extended surface layer, the problem of surface flux parameterization is solved.

Helfand, H. M.↗

DOE OSTI2022

A layered 2D computational framework: Theory and applications to nuclear fuel behavior

Nuclear fuel performance computer codes have been developed over the last 50 years to analyze fuel behavior under various operating conditions. Traditionally, these codes used quasi-two-dimensional (also commonly known as 1.5D) representations of the fuel rod, which model the rod using a set of one-dimensional axisymmetric models that represent the behavior at specific axial positions on the rod. Modern fuel performance codes have the ability to investigate full three-dimensional (3D) effects and couple to other physics-based codes for true multiphysics simulations. However, with increasing complexity comes increasing computational costs. Many phenomena of interest involve azimuthally-varying behavior that cannot be represented using the aforementioned quasi-two-dimensional approach, but do not require the use of a full 3D model. To efficiently address these problems, there is a need for a computational framework that provides a compromise between the quasi-two-dimensional and full 3D models. In this paper, we present a new quasi-three-dimensional approach that represents the fuel as a set of 2D planar models that represent the behavior of the fuel cross-section at various axial positions. Presented here are the theory behind the methodology, test cases to illustrate proper implementation, and practical applications of its use in the BISON fuel performance code for a variety of cases in nuclear fuel analysis, such as fuel fracture, axial fuel relocation, and cladding distension and oxidation.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1979

Radiative transfer theory for scattering by layered media

Remote sensing of brightness temperatures of a scattering medium composed of spherical scatterers beneath a homogeneous surface layer is studied by using Mie scattering functions. We illustrate the effects of a surface layer by plotting the brightness temperatures as functions of frequency and viewing angle for different layer thicknesses, dielectric constants, and fractional scattering volumes. It is found that the brightness temperature increases when the loss tangent of the surface layer is increased and when the fractional volume occupied by the scatterers is decreased. In the absence of a surface layer the brightness temperature is usually decreasing as a function of frequency. The presence of a homogeneous layer may cause the brightness temperature to increase with frequency. At all viewing angles the vertical polarization is brighter than the horizontal polarization.

Tsang, L.↗

NASA NTRS1987

Theory of transition-layer emission measures and coronae

The basic equations describing the energy equilibria, the conductive heat flux, and the temperature stratifications for stellar transition layers and coronae with 'open' field lines are summarized. The temperature dependence of the emission measures for lines originating in different temperature regions of the transition zone is determined. It is found that the stellar transition regions consist of two basically different parts: the lower part where mechnical energy input is balanced by the radiative losses, and the upper part where the mechanical energy input is balanced by the divergence of the conductive flux and radiative losses. In the lower part, the temperature stratification is determined by an equilibrium between mechanical flux input and radiative energy losses. The coronal temperatures increase with increasing mechanical flux and damping length in the upper transition zone.

Bohm-Vitense, Erika↗

NASA NTRS2003

Volatile Cycling and Layering on Mars: Observations, Theory and Modeling

With the release of Mars Odyssey Gamma Ray Spectrometer (GRS) results, which indicate the presence of vast reservoirs of near-surface ice in the martian polar regions, we are presented with an exquisite dilemma. These deposits, which are present as far down as 60 deg. latitude in both hemispheres, are consistent with the suggestion of thermal models that ice will be best protected in these extended regions during periods of higher obliquity. However, the current paradigm regarding the placement of these deposits, i.e., diffusive deposition of water vapor, appears to be inconsistent with the large volume mixing ratios (approx. 70%) inferred from the GRS data. This apparent conflict argues that diffusion alone cannot be the primary mechanism for the creation of these reservoirs, and that an alternate, large-scale process should be considered.

M A Mischna↗

NASA NTRS1994

Sputter process investigation: Material and environment interaction processes investigation

The multilayer Ellipsometry program has been developed with which the thickness and the optical properties of top layer can be determined with the additional information obtained from other measurement such as the optical constant of the middle layer film. Once the proper parameters are input into the program, the multilayer Ellipsometry program which was developed by H. Kim and Dr. Fromhold gives the best possible set of the solutions for the top layer thickness or its optical index graphically on a PC screen. In this report the basic two layer Ellipsometry theory will be summarized briefly as well as the one layer case. All the code is written in Microsoft Quickbasic version 4.5 for IBM PC with a VGA color graphics monitor so that the measurement could be cross-checked out graphically on the screen.

Williams, John R.↗

NASA NTRS1976

Diffusivity in turbulent fluid containing two dominant scales, and compressible shear layer according to a kinetic theory

The solution of the two nonequilibrium-degree kinetic equation was first determined for the effective length scale and turbulence energy for a spatially homogeneous turbulence field with two characteristic length scales, where the source for one family of eddies exists. This solution was applied to the evaluation of the eddy diffusivity in the combustion chamber of an internal combustion engine. The result was compared with another existing solution. This was carried out to demonstrate the feasibility of obtaining an effective length-scale equation within the context of the kinetic theory. A formulation and partial solution of the compressible plane shear layer are also presented.

Chung, P. M.↗

NASA NTRS1984

Radiative transfer theory for active remote sensing of a layer of nonspherical particles

The radiative transfer theory is applied to calculate the scattering by a layer of randomly positioned and oriented nonspherical particles. The scattering amplitude functions of each individual particle are calculated with Waterman's T matrix method, which utilizes vector spherical wave functions for expansion of incident, scattered, and surface fields. The orientation of the particles is described by a probability density function of the Eulerian angles of rotation. A rotation matrix is used to relate the T matrix of the principal frame to that of the natural frame of the particle. The extinction matrix and phase matrix of the radiative transfer equations are expressed in terms of the T matrix elements. The extinction matrix for nonspherical particles is generally nondiagonal. There are only two attenuation rates in a specified direction of propagation. The radiative transfer equations are solved by an iterative method to first order in albedo. Numerical results are illustrated as functions of incidence angle and frequency with applications to active remote sensing.

Tsang, L.↗

NASA NTRS1981

Radiative transfer theory for active remote sensing of a layer of small ellipsoidal scatterers

The radiative transfer theory is applied within the Rayleigh approximation to calculate the backscattering cross section of a layer of randomly positioned and oriented small ellipsoids. The orientation of the ellipsoids is characterized by a probability density function of the Eulerian angles of rotation. The radiative transfer equations are solved by an iterative approach to first order in albedo. In the half space limit the results are identical to those obtained via the approach of Foldy's and distorted Born approximation. Numerical results of the theory are illustrated using parameters encountered in active remote sensing of vegetation layers. A distinctive characteristic is the strong depolarization shown by vertically aligned leaves.

Tsang, L.↗

NASA NTRS1980

Modified radiative transfer theory for a two-layer random medium

Modified radiative transfer (MRT) equations appropriate for electromagnetic wave propagation in bounded random media are derived from the Bethe-Salpeter equation with the ladder approximation and the Dyson equation with the nonlinear approximation. The MRT equations are then solved with the first-order renormalization approximation to obtain analytical results for the backscattering cross sections of a two-layer random medium with arbitrary three-dimensional correlation functions. The coherent effects of the MRT theory are illustrated and comparisons are made with backscattering cross sections obtained with the first Born approximation to the wave equation.

Zuniga, M. A.↗

NASA NTRS1984

Strong fluctuation theory for electromagnetic wave scattering by a layer of random discrete scatterers

The strong fluctuation theory is applied to the study of electromagnetic wave scattering from a layer of random discrete scatterers. The singularity of the dyadic Green's function is taken into account in the calculation of the effective permittivity functions. The correlation functions for the random medium with different scatterer constituents and size distributions are derived. Applying the dyadic Green's function for a two-layer medium and using the bilocal and distorted Born approximations, the first and the second moments of the fields are then calculated. Both the backscattering and bistatic scattering coefficients are obtained, and the former is shown to match favorably with experimental data obtained from snow fields.

Jin, Y. Q.↗

NASA NTRS1996

Electrical double layers at the oil/water interface

This review presents the historical development and current status of the theory of the electrical double layer at a liquid/liquid interface. It gives rigorous thermodynamic definitions of all basic concepts related to liquid interfaces and to the electrical double layer. The difference between the surface of a solid electrode and the interface of two immiscible electrolyte solutions (ITIES) is analyzed in connection to their electrical properties. The most important classical relationships for the electrical double layer are presented and critically discussed. The generalized adsorption isotherm is derived. After a short review of the classical Gouy-Chapman and Verwey-Niessen models, more recent developments of the double layer theory are presented. These include effects of variable dielectric permittivity, nonlocal electrostatics, hydration forces, the modified Poisson-Boltzmann equation and the ion-dipole plasma. The relative merits of different theories are estimated by comparing them with computer simulation of the ITIES and electrical double layer. Special attention is given to the structure of ITIES and its variation due to adsorption of ions and amphiphilic molecules.

Non-NASA Center↗

DOE OSTI2024

Effect of parallel flow on resonant layer responses in high beta plasmas

Abstract Resonant layers in a tokamak respond to non-axisymmetric magnetic perturbations by amplifying the mode amplitude and balancing the plasma rotation through magnetic reconnection and force balance, respectively. This resonant response can be characterized by local layer parameters and especially by a single quantity in the linear regime, the so-called inner-layer Δ. The computation of Δ under two-fluid drift-MHD formalism has been progressed by reducing the order of the system in the phase space, where the shielding current is approximated as being only carried by electrons, a posteriori . In this study, we relax the approximation and compute Δ accounted for by the parallel flow associated with the ion shielding current. The posteriori is numerically verified in great agreement with the original SLAYER developed in a previous paper (J.-K. Park 2022 Phys. Plasmas 29 072506). Extending the resonant layer response theory to high β plasmas, our research findings answer two important questions: how the parallel flow influences the resonant layer response and why the parallel flow effect appears in high β plasmas. The complicated plasma compression in high β regime allows the parallel flow response to give rise to the ion shielding current, which not only shifts the zero-crossing condition of the ExB flow but also enhances the field penetration threshold. Technically, the Riccati matrix transformation method is adapted to handle the numerical stiffness due to the increased order of the system. The high fidelity of this numerical method makes use of further extension of the model to higher-order systems to take other physical phenomena into account. This work is envisaged to predict the resonant layer response under high β fusion reactor conditions.

Lee, Yeongsun (ORCID:000000034474416X)↗

DOE OSTI2026

Mechanism of ion pairing–induced co-ion penetration into the stern layer

In classical electric double layer (EDL) theory, co-ions—ions carrying the same charge as the electrode—are assumed to be excluded from the Stern layer because of electrostatic repulsion. However, ion pairing with adsorbed counterions may enable co-ions to access the EDL, a phenomenon that remains underexplored. Key questions therefore remain unresolved, including how deeply co-ions penetrate, how ion-specific properties govern them, and how ion pairing within the EDL differs from bulk solution. Here, in this study, we employ molecular dynamics simulations combined with well-tempered metadynamics to quantify co-ion penetration and ion-pairing thermodynamics at positively charged Mg-Al layered double hydroxide interfaces (σ = +20.6 μC/cm 2 ) in aqueous chloride electrolytes across 0.005–3 M range. We reveal a concentration-driven crossover: at dilute conditions, counterion–co-ion contact ion pairing (CIP) is thermodynamically unfavorable or only weakly favorable (ΔG CIP = +0.12 kcal/mol for Li + to −0.42 kcal/mol for K + ), leading to co-ion exclusion. As concentration increases (≥0.5 M), enhanced screening reduces surface repulsion and stabilizes CIP thermodynamics (ΔG CIP = −0.89 kcal/mol for Li + to −1.05 kcal/mol for K + at 3 M), enabling monovalent co-ions to penetrate the Stern layer following the hydration hierarchy K + > Na + > Li + , while divalent co-ions (Mg 2+ , Ca 2+ ) remain in the diffuse layer, forming only solvent-separated pairs. Comparison with bulk solution shows interfacial ion pairing is suppressed at low concentrations but converges to bulk-like thermodynamics at high concentrations, indicating surface effects vanish under strong screening. These results establish a quantitative framework linking ion-pairing thermodynamics to co-ion penetration and providing strategies to design electrochemical interfaces.

Co-ion penetration↗

DOE OSTI2021

Ultrafast Carrier–Lattice Interactions and Interlayer Modulations of Bi 2 Se 3 by X-ray Free-Electron Laser Diffraction

We report as a 3D topological insulator, bismuth selenide (Bi 2 Se 3 ) has potential applications for electrically and optically controllable magnetic and optoelectronic devices. Understanding the coupling with its topological phase requires studying the interactions of carriers with the lattice on time scales down to the sub-picosecond regime. Here we investigate the ultrafast carrier-induced lattice contractions and interlayer modulations in Bi 2 Se 3 thin films by time-resolved diffraction using an X-ray free-electron laser. The lattice contraction depends on the carrier concentration and is followed by an interlayer expansion accompanied by oscillations. Using density functional theory (DFT) and the Lifshitz model, the initial contraction can be explained by van der Waals force modulation of the confined free carrier layers. Our theory suggests that band inversion, related to a topological phase transition, is modulated by the expansion of the interlayer distance. These results provide insights into the topological phase control by light-induced structural change on ultrafast timescales.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1971

A generalized theory on the noise generation from supersonic shear layers.

A generalization is presented of Phillips' (1960) theory of noise generation by supersonic turbulent shear layers. Both Mach wave radiation and non-Mach wave noise radiation mechanisms are considered. The range of validity of Phillips' theory has been expanded to include the low supersonic and transonic ranges. These generalizations are important not only for their analytical rigor, but also for their prospective applications to practical problems in jet noise prediction and control. The noise generation mechanisms in a supersonic jet are found to differ from those in a subsonic jet. The theory is considered to offer some prospects of answering important questions in supersonic jet noise, such as noise source distribution, mean flow refraction effects, directivity, spectrum, and efficiency of noise radiation.

Pao, S. P.↗

DOE OSTI2021

A Statistical Evaluation of WRF-LES Trace Gas Dispersion Using Project Prairie Grass Measurements

In recent years, new measurement systems have been deployed to monitor and quantify methane emissions from the natural gas sector. Large-eddy simulation (LES) has complemented measurement campaigns by serving as a controlled environment in which to study plume dynamics and sampling strategies. However, with few comparisons with controlled-release experiments, the accuracy of LES for modeling natural gas emissions is poorly characterized. In this paper, we evaluate LES from the Weather Research and Forecasting (WRF) Model against Project Prairie Grass campaign measurements and surface layer similarity theory. Using WRF-LES, we simulate continuous emissions from 30 near-surface trace gas sources in two stability regimes: strong convection and weak convection. We examine the impact of grid resolutions ranging from 6.25 to 52 m in the horizontal dimension on model results. We evaluate performance in a statistical framework, calculating fractional bias and conducting Welch’s t tests. WRF-LES accurately simulates observed surface concentrations at 100 m and beyond under strong convection; simulated concentrations pass t tests in this region irrespective of grid resolution. However, in weakly convective conditions with strong winds, WRF-LES substantially overpredicts concentrations—the magnitude of fractional bias often exceeds 30%, and all but one t test fails. The good performance of WRF-LES under strong convection correlates with agreement with local free convection theory and a minimal amount of parameterized turbulent kinetic energy. The poor performance under weak convection corresponds to misalignment with Monin–Obukhov similarity theory and a significant amount of parameterized turbulent kinetic energy.

17 WIND ENERGY↗

NASA NTRS1986

The crack layer approach to toughness characterization in steel

In a study of the laws of crack propagation and toughness characterization, it is feasible to employ two alternative approaches, including the fracture mechanics approach and the material science approach. The crack layer (CL) theory discussed by Khandogin and Chudnovsky (1978) and Chudnovsky (1980) considers the crack together with the surrounding defects as one system which has several degrees of freedom. It is pointed out that the CL theory defines the relationship between the parameters of fracture mechanics and the characteristics of microstructural changes which are the subject of material science. Experiments are described, taking into account a toughness characterization test and microscopic studies. Attention is given to a phenomenological study of toughness characterization, the morphology of crack layer, and the evaluation of energy stored in the dislocation network.

Bessendorff, M.↗