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At least 163 records · Page 9

Determining Equilibrium Position For Acoustical Levitation

Equilibrium position and orientation of acoustically-levitated weightless object determined by calibration technique on Earth. From calibration data, possible to calculate equilibrium position and orientation in presence of Earth gravitation. Sample not levitated acoustically during calibration. Technique relies on Boltzmann-Ehrenfest adiabatic-invariance principle. One converts resonant-frequency-shift data into data on normalized acoustical potential energy. Minimum of energy occurs at equilibrium point. From gradients of acoustical potential energy, one calculates acoustical restoring force or torque on objects as function of deviation from equilibrium position or orientation.

Barmatz, M. B.↗

Mixing rates calculated from potential vorticity

Horizontal mixing coefficients K(yy) and K(yz) were computed using potential vorticity and gradients calculated from NMC data for geopotential heights and temperatures. It was found that the mid-latitude to polar mixing coefficients depend on the use of nongeostrophic winds, which yield K(yy) values which are mostly positive, whereas geostophic winds yield K(yy) values which were largely negative near the polar region. A comparison of the K(yy) values calculated from the potential vorticity fluxes and gradients with the K(yy) values calculated using the momentum balance between the flux of potential vorticity and the residual circulation has shown that the residual-circulation-balanced K(yy) values in the upper stratosphere were much larger than the values calculated by the present method. It is suggested that this difference is the result of breaking gravity waves in the upper stratosphere and lower mesosphere.

Newman, Paul A.↗

Simple and Efficient Numerical Evaluation of Near-Hypersingular Integrals

Recently, significant progress has been made in the handling of singular and nearly-singular potential integrals that commonly arise in the Boundary Element Method (BEM). To facilitate object-oriented programming and handling of higher order basis functions, cancellation techniques are favored over techniques involving singularity subtraction. However, gradients of the Newton-type potentials, which produce hypersingular kernels, are also frequently required in BEM formulations. As is the case with the potentials, treatment of the near-hypersingular integrals has proven more challenging than treating the limiting case in which the observation point approaches the surface. Historically, numerical evaluation of these near-hypersingularities has often involved a two-step procedure: a singularity subtraction to reduce the order of the singularity, followed by a boundary contour integral evaluation of the extracted part. Since this evaluation necessarily links basis function, Green s function, and the integration domain (element shape), the approach ill fits object-oriented programming concepts. Thus, there is a need for cancellation-type techniques for efficient numerical evaluation of the gradient of the potential. Progress in the development of efficient cancellation-type procedures for the gradient potentials was recently presented. To the extent possible, a change of variables is chosen such that the Jacobian of the transformation cancels the singularity. However, since the gradient kernel involves singularities of different orders, we also require that the transformation leaves remaining terms that are analytic. The terms "normal" and "tangential" are used herein with reference to the source element. Also, since computational formulations often involve the numerical evaluation of both potentials and their gradients, it is highly desirable that a single integration procedure efficiently handles both.

Fink, Patrick W.↗

Boundary Layer Height Variation over the Savannah River Site during a Heat Wave

With the number of heat waves expect to increase in both in their severity and frequency in the coming years, an insight into their impact on planetary boundary layer (PBL) heights is essential for one development of future emergency and safety plans. Using High-Resolution Rapid Refresh (HRRR) atmospheric model output, an analysis is done on the effects a heat wave has on PBL heights and temperature inversions across the Savannah River Site (SRS). This study showed that due to its adjacency to anthropogenic land use, SRS experiences a non-negligible gradient in its PBL height, with higher heights to the northwest. The singular location PBL heigh measurement and forecasts for SRS do not account for this gradient, which has potential implications on pollutant and smoke dispersion onsite. During a heat wave this gradient is present but PBL heights are less impacted than surrounding developed areas, possibly attributable to the woody wetlands that surround the Savannah River's banks. Additionally, the heat wave appears to strongly enhance the nocturnal temperature inversions that the site and surrounding areas experience. This is possibly due to increased stability from higher pressure conditions, which are often associated with heat waves. This influence on nocturnal inversions, however, is limited to their intensity, leaving their timing relatively unaltered. The impact a heat wave has on PBL heights and temperature inversions across SRS is seen to be more dependent on adjacent land use and features rather than the unique land use types onsite.

54 ENVIRONMENTAL SCIENCES↗

Towards accurate orbital-free simulations: A generalized gradient approximation for the noninteracting free energy density functional

For orbital-free ab initio molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient approximation (GGA) functional for the non-interacting free energy. This is achieved by systematic finite-temperature extension of our recent LKT ground state non-interacting kinetic energy GGA functional (Phys. Rev. B 98, 041111(R) (2018)). We test the performance of the new functional first via static lattice calculations on crystalline aluminum and silicon. Then we compare deuterium equation of state results against both path-integral Monte Carlo and conventional (orbital-dependent) Kohn-Sham results. The new functional, denoted LKTF, outperforms the previous best semi-local free energy functional, VT84F (Phys. Rev. B 88, 161108(R) (2013)), and provides modestly faster simulations. Finally, we discuss subtleties of identification of kinetic and entropic contributions to non-interacting free-energy functionals obtained by extension from ground state orbital-free kinetic energy functionals.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The treatment of convected vortices in compressible potential flow

A method is described for incorporating line vortices into the three dimensional compressible potential flow equation. A modified Biot-Savart law is used to compute a vortical velocity field, which is added to the gradient of the potential to form a total velocity. A rapidly converging approximate factorization (AFZ) scheme is then used to compute a potential such that the modified potential flow equation as well as the appropriate boundary conditions, based on total velocity, are satisfied. As part of a coupled iteration procedure, the positions of the line vortices are computed so that they convect with the total flow. The method is used to compute the field due to a single line vortex convecting past a wing. This represents an approximation of the effect of a canard or other lifting surface ahead of the wing, which sheds a tip vortex. It is seen that the flow field is substantially modified by the passage of the vortex. Unlike Euler equation schemes, which are also used to compute these flows, the solutions exhibit no numerical diffusion: The convected vortices retain their initial upstream width. Euler solutions, on the other hand, involve a vorticity which is numerically convected in an Eulerian frame and, unless extensive adaptive grid refinement is used they result in vortices with spread as they convect. Also, the potential flow method requires approximately two orders of magnitude less computing time and much less computer storage than the Euler methods.

Steinhoff, J.↗

Design principles for high efficiency small-grain polysilicon solar cells, with supporting experimental studies

Design principles suggested here aim toward high conversion efficiency (greater than 15 percent) in polysilicon cells. The principles seek to decrease the liabilities of both intragranular and grain-boundary-surface defects. The advantages of a phosphorus atom concentration gradient in a thin (less than 50 microns) base of a p(+)/n(x)/n(+) drift-field solar cell, which produces favorable gradients in chemical potential, minority-carrier mobility and diffusivity, and recombination lifetime (via phosphorus gettering) are suggested. The degrading effects of grain boundaries are reduced by these three gradients and by substituting atoms (P, H, F or Li) for vacancies on the grain-boundary surface. From recent experiments comes support for the benefits of P diffusion down grain boundaries and, for quasi-grain-boundary-free and related structures. New analytic solutions for the n(x)-base include the effect of a power-law dependence between P concentration and lifetime. These provide an upper-bound estimate on the open circuit voltage. Finite-difference numerical solutions of the six Shockley equations furnish complete information about all solar-cell parameters and add insight concerning design.

Lindholm, F. A.↗

Large-scale dynamics of the stratosphere and mesosphere during the MAP/WINE campaign winter 1983 to 1984 in comparison with other winters

For the MAP/WINE winter temperature and wind measurements of rockets were combined with SSU radiances (Stratospheric Sounder Unit onboard the NOAA satellites) and stratopause heights from the Solar Mesosphere Explorer (SME) to get a retrieved data set including all available information. By means of this data set a hemispheric geopotential height, temperature and geostrophic wind fields eddy transports for wave mean flow interaction and potential vorticity for the interpretation of nonlinear wave breaking could be computed. Wave reflection at critical lines was investigated with respect of stratospheric warmings. The meridional gradient of the potential vorticity and focusing of wave activity is compared with derived data from satellite observations during other winters.

Petzoldt, K.↗

On the Sampling-Based Computation of Nash Equilibria Under Uncertainty via the Nikaido–Isoda Function

We consider the computation of an equilibrium of a stochastic Nash equilibrium problem, where the player objectives are assumed to be L 0 -Lipschitz continuous and convex, given rival decisions with convex and closed player-specific feasibility sets. To address this problem, we consider minimizing a suitably defined value function defined using the Nikaido–Isoda function. Such an avenue does not necessitate either monotonicity properties of the concatenated gradient map or potentiality requirements on the game but does require a suitable regularity requirement under which a stationary point is a Nash equilibrium. We design and analyze a sampling-enabled projected-gradient-response method, reliant on inexact resolution of a player-level best-response subproblem. Here, by deriving suitable Lipschitzian guarantees on the value function, we derive both asymptotic guarantees for the sequence of generated iterates as well as rate and complexity guarantees for computing a stationary point by appropriate choices of the sampling rate and inexactness sequence.

Nikaido-Isoda function↗

Analysis of dynamic stall using unsteady boundary-layer theory

The unsteady turbulent boundary layer and potential flow about a pitching airfoil are analyzed using numerical methods to determine the effect of pitch rate on the delay in forward movement of the rear flow reversal point. An explicit finite difference scheme is used to integrate the unsteady boundary layer equations, which are coupled at each instant of time to a fully unsteady and nonlinear potential flow analysis. A substantial delay in forward movement of the reversal point is demonstrated with increasing pitch rate, and it is shown that the delay results partly from the alleviation of the gradients in the potential flow, and partly from the effects of unsteadiness in the boundary layer itself. The predicted delay in flow-reversal onset, and its variation with pitch rate, are shown to be in reasonable agreement with experimental data relating to the delay in dynamic stall. From the comparisons it can be concluded (a) that the effects of time-dependence are sufficient to explain the failure of the boundary layer to separate during the dynamic overshoot, and (b) that there may be some link between forward movement of the reversal point and dynamic stall.

Scruggs, R. M.↗

Analysis of flow-reversal delay for a pitching airfoil

The coupled unsteady turbulent boundary layer and potential flow about a pitching airfoil are analyzed using numerical methods to determine the effect of pitch rate on the delay in forward movement of the rear flow reversal point. An explicit finite difference scheme is used to integrate the unsteady boundary layer equations, which are coupled at each instant of time to a fully unsteady and nonlinear potential flow analysis. A substantial delay in forward movement of the reversal point is demonstrated with increasing pitch rate, and it is shown that the delay results partly from the alleviation of the gradients in the potential flow, and partly from the effects of unsteadiness in the boundary layer itself.

Scruggs, R. M.↗

Cyclogenesis in a saturated environment

The dynamics of baroclinic wave growth in a saturated environment is examined using linear and nonlinear models employing a parameterization of latent heat release that assumes all rising air is saturated, and saturation equivalent potential temperature is conserved on ascent. Piecewise potential vorticity (PV) diagnostics are used to interpret the results. When the stability to vertical displacements in saturated air is allowed to increase with height, as it must in an atmosphere with a constant, positive lapse rate of potential temperature, the growth rates of the most unstable modes of the Eady problem grow only marginally faster than the modes of the dry problem. The vertical variation of moist static stability produces a gradient of moist potential vorticity in the rising air, eliminating the short-wave cutoff present in the dry Eady problem. The destabilization of the short waves is shown to be associated with the interaction between surface potential temperature anomalies and diabatically generated lower-tropospheric potential vorticity anomalies. Nonlinear primitive equation simulations, starting from normal-mode initial conditions, show that while the dry wave grows at nearly the linear growth rate until maximum amplitude is reached, the moist wave grows significantly faster than the linear growth rate at finite amplitude. This enhanced growth is associated with the rapid amplification of a mesoscale PV anomaly generated by latent heat release at the warm front. The rapid amplification of the surface cyclone results from the superposition of the circulation associated with this misoscale PV anomaly upon the circulation associated with the surface and upper boundary potential temperature anomalies. Additional integrations with finite-amplitude initial conditions more typical of atmospheric conditions exhibit similar behavior. It is suggested that many of the rapid cyclogenesis events that occur as upper-troposheric PV anomalies cross the east coasts of continents may arise from the rapid generation of PV anomalies by condensational heating in the moist maritime lower troposphere.

Whitaker, Jeffrey S.↗

Vertical gradients in the theory of radio aurora.

Study of vertical density gradients as a potential source of irregularities responsible for radio aurorae and as a possible cause that might modify the aspect sensitivity of radio-auroral reflections coming from two-stream instability irregularities. Both of these effects are examined in a single calculation which incorporates vertical gradients into the two-stream instability theory of Farley (1963).

Moorcroft, D. R.↗

Potential surfaces for O atom-polymer reactions

Ab initio quantum chemistry methods are used to study the energetics of interactions of O atoms with organic compounds. Polyethylene (CH2)n has been chosen as the model system to study the interactions of O(3P) and O(1D) atoms with polymers. In particular, H abstraction is investigated and polyethylene is represented by a C3 (propane) oligomeric model. The gradient method, as implemented in the GRADSCF package of programs, is used to determine the geometries and energies of products and reactants. The saddle point, barrier geometry is determined by minimizing the squares of the gradients of the potential with respect to the internal coordinates. To correctly describe the change in bonding during the reaction at least a two configuration MCSCF (multiconfiguration self consistent field) or GVB (generalized valence bond) wave function has to be used. Basis sets include standard Pople and Dunning sets, however, increased with polarization functions and diffuse p functions on both the C and O atoms. The latter is important due to the O(-) character of the wave function at the saddle point and products. Normal modes and vibrational energy levels are given for the reactants, saddle points and products. Finally, quantitative energetics are obtained by implementing a small CAS (complete active space) approach followed by limited configuration interaction (CI) calculations. Comparisons are made with available experimental data.

Laskowski, B. C.↗

Spatial and Temporal Trends in Precambrian Nitrogen Cycling: A Mesoproterozoic Offshore Nitrate Minimum

Fixed nitrogen is an essential nutrient for eukaryotes. As N2 fixation and assimilation of nitrate are catalyzed by metalloenzymes, it has been hypothesized that in Mesoproterozoic oceans nitrate was limited in offshore environments by low trace metal concentrations and high rates of denitrification in anoxic and episodically euxinic deep water masses, restricting eukaryotes to near-shore environments and limiting their evolutionary innovation. To date this hypothesis has only been tested in the Belt Supergroup (∼1.4 Ga), with results that support an onshore-offshore nitrate gradient as a potential control on eukaryote ecology. Here we present bulk nitrogen and organic carbon isotopic data from non-isochronous cross-basinal facies across the Bangemall (∼1.5 Ga) and the Roper (∼1.4–1.5 Ga) basins to better understand the extent and variability of onshore-offshore nitrogen isotope gradients in the Mesoproterozoic. Both basins show an average ∼1-2‰ enrichment in δ-15N(sub bulk) from deep to shallow facies, with a maximum range from ~1‰ offshore to +7.5‰ onshore. Unlike the Belt basin, the Bangemall and Roper basins show some offshore δ-15N(sub bulk) values that are enriched beyond the isotopic range associated with biological N2 fixation alone. This suggests a mixture of aerobic and anaerobic metabolisms offshore. In shallow waters, where δ-15N(sub bulk) enrichment peaks, an aerobic nitrogen cycle was evidently operating. Even though isotopic signatures of aerobic nitrogen cycling are seen in all parts of the Bangemall and Roper basins, our data are consistent with a lateral gradient in nitrate availability within the photic zone, with higher concentrations in near-shore environments than offshore. The variability in δ-15N(sub bulk) values in each depositional environment and the consistently low δ-15N(sub bulk) values from Mesoproterozoic units compared to the Paleoproterozoic and Neoproterozoic suggest that nitrate concentrations in the global ocean were likely low. This trend is now seen in all three Mesoproterozoic basins so far examined, and contrasts with the Paleoproterozoic and Neoproterozoic where nearly all δ-15N(sub bulk) data plot above the N2 fixation window. Thus, we propose that the Mesoproterozoic ocean was characterized by a nitrate minimum, with the lowest concentrations in offshore environments. This inference is consistent with a Mesoproterozoic O2 decline following a temporary Paleoproterozoic O2 peak, and it further supports the idea that nitrate limitation offshore may have contributed to the restriction of photosynthetic eukaryotes to near-shore environments, delaying their rise to ecological dominance until the Neoproterozoic Era.

Mesoproterozoic↗

Plasma potential shaping using end-electrodes in the Large Plasma Device

We perform experiments in the Large Plasma Device at the University of California, Los Angeles, studying how different end-electrode biasing schemes modify the radial potential profile in the machine. We impose biasing profiles of different polarities and gradient signs on a set of five concentric electrodes placed 12 m downstream from the plasma source. We find that imposing concave-down profiles (negative potential radial gradient) on the electrodes creates radial potential profiles halfway up the plasma column that are comparable to those imposed on the electrodes and a few electron temperature in height, regardless of the biasing polarity. On the other hand, imposing concave-up profiles (positive potential radial gradient) leads to non-monotonic radial potential profiles. This observation can be explained by the current drawn through the electrodes and the parallel plasma resistivity, highlighting their important role in controlling the rotation of plasma. Concave-down plasma potential profiles, obtained by drawing electrons on the axis, are predicted to drive azimuthal drift velocities that can approach significant fractions of the ion sound speed in the central region of the plasma column.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

CODE-TO-CODE BENCHMARK STUDY FOR THERMAL STRESS MODELING AND PRELIMINARY ANALYSIS OF THE HIGH-TEMPERATURE SINGLE HEAT PIPE EXPERIMENT

Microreactors are very small nuclear reactors with typical thermal-energy output of up to 20 MWth. The microreactor concept is gaining more and more attention for safe, robust, and reliable supply of electricity for remote locations and to meet industrial process heat needs. Heat-pipe-cooled microreactor is one of the microreactors being investigated at Idaho National Laboratory. In the heat-pipe-cooled microreactor, heat pipes remove heat from the reactor core as a passive heat-transfer device, so the fluid circulation is not required for cooling, which can substantially simplify the overall reactor design. However, given the extremely high temperatures in the core region and potentially large temperature gradients across the structure materials, thermal stresses need to be well-analyzed to ensure structural integrity during normal operations and accident scenarios for the heat-pipe-cooled microreactor designs. This paper discusses finite element method-based thermal-stress analysis for the high-temperature single heat-pipe test article in the Single Primary Heat Extraction and Removal Emulator (SPHERE) facility at Idaho National Laboratory, using two commercial software packages, Abaqus and STAR-CCM+. A code-to-code benchmark study was performed to crosscheck the model setup and capability of each code and to gain insights into the potential thermal stress concerns from the current experimental setup. It is observed the significant thermal stresses happen at the locations where the largest temperature gradients appeared between heat pipe and electric heater. The temperature fields have good agreements between Abaqus and STAR-CCM+, while the induced thermal stresses show modest deviations probably due to differences of meshing engines used in these two codes.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The 4-Day Wave as Observed from the Upper Atmosphere Research Satellite Microwave Limb Sounder

The "4-day wave" is an eastward moving quasi-nondispersive feature with period near 4 days occurring near the winter polar stratopause. This paper presents evidence of the 4-day feature in Microwave Limb Sounder (MLS) temperature, geopotential height, and ozone data from the late southern winters of 1992 and 1993. Space-time spectral analyses reveal a double-peaked temperature structure consisting of one peak near the stratopause and another in the lower mesosphere, with an out-of-phase relationship between the two peaks. This double- peaked structure is reminiscent of recent three-dimensional barotropic/baroclinic instability model predictions and is observed here for the first time. The height variation of the 4-day ozone signal is shown to compare well with a linear advective-photochemical tracer model. Negative regions of quasigeostrophic potential vorticity (PV) gradient and positive Eliassen-Palm flux divergence are shown to occur, consistent with instability dynamics playing a role in wave forcing. Spectral analyses of PV derived from MLS geopotential height fields reveal a 4-day signal peaking near the polar stratopause. The three-dimensional structure of the 4-day wave resembles the potential vorticity "charge" concept, wherein a PV anomaly in the atmosphere (analogous to an electrical charge in a dielectric material) induces a geopotential field, a vertically oriented temperature dipole, and circulation about the vertical axis.

Allen, D. R.↗