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A nonhydrostatic formulation for MPAS-Ocean

The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an open-source, global ocean model and is one component of a family of climate models within the MPAS framework, including atmosphere, sea-ice, and land-ice models. Here, in this work, a new formulation for the ocean model is presented that solves the nonhydrostatic, incompressible Boussinesq equations on an unstructured, staggered, z-level grid. The introduction of this nonhydrostatic capability is necessary for the resolution of internal wave dynamics and large eddy simulations. Compared to the standard, hydrostatic formulation, a nonhydrostatic pressure solver and a vertical momentum equation are added, where the PETSc (Portable Extensible Toolkit for Scientific Computation) library is used for the inversion of a large sparse system for the nonhydrostatic pressure. Numerical results on a stratified seiche, internal solitary wave, overflow and lock-exchange test cases are presented, and the parallel efficiency of the code is evaluated using up to 1024 processors.

3D Poisson equation

A nonhydrostatic formulation for MPAS-Ocean

The Model for Prediction Across Scales-Ocean (MPAS-Ocean) is an open-source, global ocean model and is one component of a family of climate models within the MPAS framework, including atmosphere, sea-ice, and land-ice models. Here, in this work, a new formulation for the ocean model is presented that solves the nonhydrostatic, incompressible Boussinesq equations on an unstructured, staggered, z-level grid. The introduction of this nonhydrostatic capability is necessary for the resolution of internal wave dynamics and large eddy simulations. Compared to the standard, hydrostatic formulation, a nonhydrostatic pressure solver and a vertical momentum equation are added, where the PETSc (Portable Extensible Toolkit for Scientific Computation) library is used for the inversion of a large sparse system for the nonhydrostatic pressure. Numerical results on a stratified seiche, internal solitary wave, overflow and lock-exchange test cases are presented, and the parallel efficiency of the code is evaluated using up to 1024 processors.

3D Poisson equation

The life cycle of thunderstorm gust fronts as viewed with Doppler radar and rawinsonde data

This paper presents the time-dependent analysis of the thunderstorm gust front with the use of Project NIMROD data. RHI cross sections of reflectivity and Doppler velocity are constructed to determine the entire vertical structure. The life cycle of the gust front is divided into four stages: (1) the formative stage; (2) the early mature stage; (3) the late mature stage; and (4) the dissipation stage. A new finding is a horizontal roll detected in the reflectivity pattern resulting from airflow that is deflected upward by the ground, while carrying some of the smaller precipitation ahead of the main echo core of the squall line. This feature is called a 'precipitation roll'. As determined from rawinsonde data, the cold air behind the gust front accounts for the observed surface pressure rise. Calculations confirm that the collision of two fluids produce a nonhydrostatic pressure at the leading edge of the outflow. The equation governing the propagation speed of a density current accurately predicts the movement of the gust front.

Wakimoto, R. M.

A mesoscale gravity wave event observed during CCOPE. II - Interactions between mesoscale convective systems and the antecedent waves

The interactions between preexisting gravity waves and convective systems were investigated using data obtained by the Cooperative Convection Precipitation Experiment observational network in Montana on July 11-12, 1981. The results indicate that strong convection substantially affects gravity waves locally by augmenting the wave amplitude, reducing its wavelength, distorting the wave shape, altering the wave phase velocity, and greatly weakening the in-phase covariance between the perturbation wind and pressure fields. These convective effects upon gravity waves are explained in terms of hydrostatic and nonhydrostatic pressure forces and gust front processes associated with thunderstorms.

Koch, Steven E.

Alexandrite as a high-temperature pressure calibrant, and implications for the ruby-fluorescence scale

The wavelength shifts of the R1 and R2 fluorescence lines of alexandrite (BeAl2O4:Cr(+3)) have been experimentally calibrated against the ruby-fluorescence scale as a function of both hydrostatic and nonhydrostatic pressures between 0 and 50 GPa, and simultaneously as a function of temperatures between 290 and 550 K. It is found that the pressure-temperature cross derivative of the fluorescence wavelength shifts are negligible for both ruby and alexandrite.

Jahren, A. H.

Second‐ and Third‐Order Elastic Constants of Inert and Energetic Molecular Crystals From Density Functional Theory

Complete tensors of the second- and third-order elastic constants of the organic molecular crystals acetaminophen, pentaerythritol tetranitrate (PETN), cyclotrimethylene trinitramine (RDX), cyclotetramethylene tetranitramine (HMX), 1,1-diamino-2,2-dinitroethylene (FOX-7), hexanitrohexaazaisowurtzitane (CL-20), and erythritol tetranitrate (ETN) have been calculated using dispersion-corrected density functional theory. The sets of second- and third-order elastic constants are expected to provide a more accurate and reliable description of the behavior of these materials under nonhydrostatic loads than pressure- and volume-dependent second-order elastic constants. The tensors of second-order constants have been compared with experimental data and/or other calculations when possible, and with the exception of results for CL-20 from Brillouin scattering experiments, we find good agreement. The calculated third-order elastic constants of PETN are in very good agreement with the subset of third-order constants derived from experimental wave speed measurements. The elastic anisotropies of the crystals have been estimated using the universal elastic anisotropy index, which shows that the crystals fall into three groups with low anisotropy (PETN, RDX, and CL-20), moderate anisotropy (acetaminophen, HMX, and ETN), and high elastic anisotropy (FOX-7).

36 MATERIALS SCIENCE

Shear strength of a refractory high entropy alloy MoNbTaVW under high pressure

Radial X-ray diffraction (R-XRD) was performed in situ using a Panoramic Diamond Anvil Cell on the refractory high entropy alloy MoNbTaVW. The lattice parameters were determined through a Le Bail fit using a body centered cubic (BCC) lattice of symmetry $Im$$\overline{3}$$m$ (international space group number 229). Upper and lower bounds to the shear strength were determined up to 80 GPa nonhydrostatically using copper as a pressure standard. The equation of state was derived at the magic angle ψ = 54.7° and yielded a bulk modulus of K 0 = 220.8 ± 1.65 GPa. The experimental lattice parameters and bulk modulus match closely with corresponding density functional theory (DFT) calculations. The BCC phase remains stable up to the highest pressure of 80 GPa studied and is shown to be elastically anisotropic. The shear strength was found to saturate around 70 GPa with a value of τ = 1.75 GPa, and the shear moduli are presented in different limits of iso-strain and iso-stress.

36 MATERIALS SCIENCE

Hydrostatic compression of Fe(1-x)O wuestite

Hydrostatic compression measurements on Fe(0.95)O wuestite up to 12 GPa yield a room temperature value for the isothermal bulk modulus of K(ot) = 157 (+ or - 10) GPa at zero pressure. This result is in accord with previous hydrostatic and nonhydrostatic measurements of K(ot) for wuestites of composition: 0.89 = Fe/O 0.95. Dynamic measurements of the bulk modulus by ultrasonic, shock-wave and neutron-scattering experiments tend to yield a larger value: K(ot) approximately 180 GPa. The discrepancy between static and dynamic values cannot be explained by the variation of K(ot) with composition, as has been proposed. This conclusion is based on high-precision compression data and on theoretical models of the effects of defects on elastic constants. Barring serious errors in the published measurements, the available data suggest that wuestite exhibits a volume relaxation under pressure.

Jeanloz, R.

A nonhydrostatic version of the Penn State-NCAR Mesoscale Model - Validation tests and simulation of an Atlantic cyclone and cold front

A nonhydrostatic extension to the Pennsylvania State University-NCAR Mesoscale Model is presented, which employs reference pressure as the basis for a terrain-following vertical coordinate, and the fully compressible system of equations. It is shown that this model, combined with the existing initialization techniques and the physics of the current hydrostatic model, is capable of real-data simulations on any scale, limited only by data quality and resolution and by computer resources. An example of an explosive cyclone simulation is presented, demonstrating the capability of the nonhydrostatic model to reproduce the hydrostatic model results at large scales.

Dudhia, Jimy

Decoding anomalous grain growth at room temperature during pressure-induced phase transformations

Significant grain growth is observed during the high-pressure phase transformations (PTs) at room temperature in various materials. The main focus here is grain growth from a few hundred nanometers to 10 μm within an hour during α → ω PT in Zr. No existing theory explains this phenomenon since without PT, Zr nanocrystals do not grow at room temperature even for up to 10 years. Here, in this study, a multistep mechanism for the grain growth during α → ω PT in Zr is suggested. Phase interfaces (PI) and grain boundaries (GBs) coincide and move together as a combined PI-GBs under the action of the combined thermodynamic driving force. Such a combined motion changes the diffusional grain growth mechanism to the transformational one and the martensitic mechanism of PT to a reconstructive one via an intermediate disordered phase. The primary condition is that the GB energy of the ω phase is smaller than that of the α phase, which promotes the nucleation of ω-Zr and is consistent with the absence of the reverse PT and reduction in the PT pressure with reducing grain size. Several intermediate steps for such motion are suggested and justified kinetically. Nonhydrostatic stresses due to volume reduction in the growing ω grain promote continuous growth of the existing ω grain instead of a new nucleation at other GBs. In situ synchrotron Laue diffraction experiments confirm the main predictions of the theory. The suggested mechanism provides a new insight into synergistic interaction between PTs and microstructure evolution.

anomalous grain growth during phase transformation

The mechanism of growth of quartz crystals into fused silica

It is proposed that the growth of quartz crystals into fused silica is effected by a mechanism involving the breaking of an Si-O bond and its association with an OH group, followed by cooperative motion of the nonbridging oxygen and the hydroxyl group which results in the crystallization of a row of several molecules along a crystalline-amorphous interfacial ledge. This mechanism explains, at least qualitatively, all the results of the earlier experimental study of the dependence of quartz crystal growth upon applied pressure: large negative activation volume; single activation enthalpy below Si-O bond energy; growth velocity constant in time, proportional to the hydroxyl and chlorine content, decreasing with increasing degree of reduction, and enhanced by nonhydrostatic stresses; lower pre-exponential for the synthetic than for the natural silica.

Fratello, V. J.

Evaluation of Bogus Vortex Techniques with Four-Dimensional Variational Data Assimilation

The effectiveness of techniques for creating "bogus" vortices in numerical simulations of hurricanes is examined by using the Penn State/NCAR nonhydrostatic mesoscale model (MM5) and its adjoint system. A series of four-dimensional variational data assimilation (4-D VAR) experiments is conducted to generate an initial vortex for Hurricane Georges (1998) in the Atlantic Ocean by assimilating bogus sea-level pressure and surface wind information into the mesoscale numerical model. Several different strategies are tested for improving the vortex representation. The initial vortices produced by the 4-D VAR technique are able to reproduce many of the structural features of mature hurricanes. The vortices also result in significant improvements to the hurricane forecasts in terms of both intensity and track. In particular, with assimilation of only bogus sea-level pressure information, the response in the wind field is contained largely within the divergent component, with strong convergence leading to strong upward motion near the center. Although the intensity of the initial vortex seems to be well represented, a dramatic spin down of the storm occurs within the first 6 h of the forecast. With assimilation of bogus surface wind data only, an expected dominance of the rotational component of the wind field is generated, but the minimum pressure is adjusted inadequately compared to the actual hurricane minimum pressure. Only when both the bogus surface pressure and wind information are assimilated together does the model produce a vortex that represents the actual intensity of the hurricane and results in significant improvements to forecasts of both hurricane intensity and track.

Pu, Zhao-Xia

An Interconnected Network of Core-Forming Melts Produced by Shear Deformation

The formation mechanism of terrestrial planetary is still poorly understood, and has been the subject of numerous experimental studies. Several mechanisms have been proposed by which metal-mainly iron with some nickel-could have been extracted from a silicate mantle to form the core. Most recent models involve gravitational sinking of molten metal or metal sulphide through a partially or fully molten mantle that is often referred to as a'magma ocean. Alternative models invoke percolation of molten metal along an interconnected network (that is, porous flow) through a solid silicate matrix. But experimental studies performed at high pressures have shown that, under hydrostatic conditions, these melts do not form an interconnected network, leading to the widespread assumption that formation of metallic cores requires a magma ocean. In contrast, here we present experiments which demonstrate that shear deformation to large strains can interconnect a significant fraction of initially isolated pockets of metal and metal sulphide melts in a solid matrix of polycrystalline olivine. Therefore, in a dynamic (nonhydrostatic) environment, percolation remains a viable mechanism for the segregation and migration of core-forming melts in a solid silicate mantle.

Bruhn, D.

Application of radiative boundary conditions to nonhydrostatic primitive equation models

A procedure is presented for applying a radiative boundary condition to the lateral boundary of a limited domain model. The model considered, the Terminal Area Simulation System (TASS), has nonhydrostatic compressible and unsteady governing equations. The primary applications to date have been studies of downbursts, wind shear, thunderstorms and mass fires. A time-splitting integration is used with TASS, with the acoustic terms being integrated separately with a smaller time step. A first-order closure approximation is employed to ensure subgrid turbulence closure. TASS applications for two-dimensional axisymmetric and three-dimensional simulations are described. The radiative boundary conditions were applied in the two-dimensional case to the temperature, pressure and non-normal velocity components. Solutions in both cases avoided runaway circulations and experienced minimal domain-wide mass loss. Also, distorsion was minimized at the boundaries.

Proctor, F. H.

Internal Structure of Rhea

We model the interior of Rhea on the basis of observational constraints and the results from geodynamical models available in the literature. Ten main types of models are defined, depending on the presence or absence of a high-pressure ice layer (ice II), and the extent of separation of the rock component from the volatiles. The degree-two gravity coefficients are computed for each of these models in order to assess which properties of the interior are likely to be inferred from Cassini radio science measurements scheduled on 26 November 2005. C22 greater than 2.5 x 10(exp -4) indicates that the satellite is undifferentiated, except for a slight increase in density with depth resulting from material self-compression. C22 between 1.67 x 10(exp -4)(lower bound) and 1.90 x 10(exp -4) indicates the presence of a rocky core, whose radius can be determined from the satellite's mass and ices densities, for a given temperature profile. For other values, most of the ten models cannot be distinguished from each other. However, assumptions on the density of the rock phase, presence or absence of ice II, and the degree of differentiation could allow a unique model to be determined in many cases. While the calculation presented in this work assumes that Rhea is in hydrostatic equilibrium, it is likely that Rhea' gravity field is partly affected by nonhydrostatic anomalies.

gravity science