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At least 973 records · Page 54
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Axial magnetic flux amplification in Hall-magnetohydrodynamic simulations of externally magnetized z-pinches

It is shown that externally magnetized gas-puff z-pinches under compression can exhibit robust axial flux amplification under suitable axial boundary conditions. This effect relies upon the Hall term in the generalized Ohm's law to generate azimuthal currents in the presence of a driving axial electric field. Under dynamic compression, the total current tends to flow in a mostly force-free boundary layer, separating the predominately azimuthal field outside the layer and the predominately axial field inside the layer. The effect only appears to occur if the axial boundaries allow for outflow or absorption of electromagnetic energy. The effect is mitigated by imposing either periodic or conducting axial boundary conditions. A semi-analytic equilibrium analysis agrees with steady-state solutions of the time-dependent electron-magnetohydrodynamic equations and provides an estimate of the scaling of the boundary layer as well as suggesting a scenario for the formation of the boundary layer. When operative, the effect can significantly impede plasma compression due to the increase in axial flux that diffuses into the pre-compressed plasma or through the presence of conductors that inhibit movement of the generated axial flux. Several facilities have noted unusual implosion behavior in z-pinch experiments with applied axial fields that does not appear to be explainable within the standard magnetohydrodynamic model. In conclusion, it is suggested that these experiments can be explained by the axial flux amplification and concentration effect

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Delamination-Assisted Ultrafast Wrinkle Formation in a Freestanding Film

Freestanding films provide a versatile platform for materials engineering thanks to additional structural motifs not found in films with a substrate. A ubiquitous example is wrinkles, yet little is known about how they can develop over as fast as a few picoseconds due to a lack of experimental probes to visualize their dynamics in real time on the nanoscopic scale. Here, we use time-resolved electron diffraction to directly observe light-activated wrinkling formation in freestanding La 2/3 Ca 1/3 MnO 3 films. Via a “lock-in” analysis of oscillations in the diffraction peak position, intensity, and width, we quantitatively reconstructed how wrinkles develop on the time scale of lattice vibration. Contrary to the common assumption of fixed boundary conditions, we found that wrinkle development is associated with ultrafast delamination at the film boundaries. Finally, our work provides a generic protocol to quantify wrinkling dynamics in freestanding films and highlights the importance of the film–substrate interaction in determining the properties of freestanding structures.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Geoid Anomalies and Dynamic Topography from Time Dependent, Spherical Axisymmetric Mantle Convection

Geoid anomalies and dynamic topography are two important diagnostics of mantle convection. We present geoid and topography results for several time-dependent convection models in spherical axisymmetric geometry for Rayleigh numbers between 10(exp 6) and 10(exp 7) with depth-dependent viscosity and mixtures of bottom and internal heating. The models are strongly chaotic, with boundary layer instabilities erupting out of both thermal boundary layers. In some instances, instabilities from one boundary layer influence the development of instabilities in the other boundary layer. Such coupling between events at the top and bottom of the mantle has been suggested to play a role in a mid-Cretaceous episode of enhanced volcanism in the Pacific. These boundary layer instabilities produce large temporal variations in the geoid anomalies and dynamic nd to the topography associated with the convection. The amplitudes of these fluctuations depend on the detailed model parameter,.% it of this but fluctuations of 30-50% relative to the time-averaged geoid and topography are common. The convective planform is strongly sensitive to the specific initial conditions. Convection cells with larger aspect ratio tend to have larger fractional fluctuations in their geoid and topography amplitudes, because boundary layer instabilities have more time to develop in long cells. In some instances, we observe low-amplitude topographic highs adjacent to the topographic lows produced by cold downwellings. We discuss applications of these results to several situations, including the temporal variability of m basis. hotspots such as Hawaii, the topography of subduction zone outer rises, and the topography of coronae on Venus.

Kiefer, Walter S.↗
DOE OSTI2021

A crystal plasticity model with an atomistically informed description of grain boundary sliding for improved predictions of deformation fields

Crystal plasticity (CP) is a powerful meso-scale technique for deformation modeling in polycrystalline materials. Crystal plasticity models typically do not include an explicit description of grain boundary (GB) sliding, which could lead to inaccurate predictions of strain distributions, especially in the vicinity of GBs. In the present study, a CP model is developed that includes GB sliding as an additional deformation mechanism and models the interaction between slip and GB sliding. Atomistic simulations are used to formulate the constitutive model for GB sliding and its interaction with incident slip. The deformation fields and structure of the GBs are obtained directly from experimental characterization and are faithfully reproduced as bicrystal systems for molecular dynamics simulations. The GBs are modeled as random-type (non-coincidence, asymmetrical) boundaries as observed from experimental data. The underlying atomistic-scale mechanism for pure sliding of random GBs was found to be analogous to fluid-flow. The interaction between incident slip and a sliding GB caused local increases in stress concentration, which further led to a momentary increase in the local sliding rate. The displacement profiles at the sliding GBs computed from the CP model with sliding accommodation are 38% more accurate than the baseline CP model as quantified by the mean squared error between the simulations and experiment. Here these results help improve the sophistication and accuracy of deformation modeling by including physics-based descriptions for GB sliding and its interaction with slip, eventually leading to more reliable predictions of micromechanical quantities.

36 MATERIALS SCIENCE↗
NASA NTRS1997

Numerical Model Studies of the Martian Mesoscale Circulations

The study objectives were to evaluate by numerical modeling various possible mesoscale circulation on Mars and related atmospheric boundary layer processes. The study was in collaboration with J. Tillman of the University of Washington (who supported the study observationally). Interaction has been made with J. Prusa of Iowa State University in numerical modeling investigation of dynamical effects of topographically-influenced flow. Modeling simulations included evaluations of surface physical characteristics on: (i) the Martian atmospheric boundary layer and (ii) their impact on thermally and dynamically forced mesoscale flows. Special model evaluations were made in support of selection of the Pathfinder landing sites. J. Tillman's finding of VL-2 inter-annual temperature difference was followed by model simulations attempting to point out the forcing for this feature. Publication of the results in the reviewed literature in pending upon completion of the manuscripts in preparation as indicated later.

Segal, Moti↗
NASA NTRS1999

Development of Prototype Micro-Lidar using Narrow Linewidth Semiconductor Lasers for Mars Boundary Layer Wind and Dust Opacity Profiles

We have developed a compact Doppler lidar concept which utilizes recent developments in semiconductor diode laser technology in order to be considered suitable for wind and dust opacity profiling in the Mars lower atmosphere from a surface location. The current understanding of the Mars global climate and meteorology is very limited, with only sparse, near-surface data available from the Viking and Mars Pathfinder landers, supplemented by long-range remote sensing of the Martian atmosphere. The in situ measurements from a lander-based Doppler lidar would provide a unique dataset particularly for the boundary layer. The coupling of the radiative properties of the lower atmosphere with the dynamics involves the radiative absorption and scattering effects of the wind-driven dust. Variability in solar irradiance, on diurnal and seasonal time scales, drives vertical mixing and PBL (planetary boundary layer) thickness. The lidar data will also contribute to an understanding of the impact of wind-driven dust on lander and rover operations and lifetime through an improvement in our understanding of Mars climatology. In this paper we discuss the Mars lidar concept, and the development of a laboratory prototype for performance studies, using, local boundary layer and topographic target measurements.

Menzies, Robert T.↗
NASA NTRS2003

Nonlinear Gulf Stream Interaction with the Deep Western Boundary Current System: Observations and a Numerical Simulation

Gulf Stream (GS) separation near its observed Cape Hatteras (CH) separation location, and its ensuing path and dynamics, is a challenging ocean modeling problem. If a model GS separates much farther north than CH, then northward GS meanders, which pinch off warm core eddies (rings), are not possible or are strongly constrained by the Grand Banks shelfbreak. Cold core rings pinch off the southward GS meanders. The rings are often re-absorbed by the GS. The important warm core rings enhance heat exchange and, especially, affect the northern GS branch after GS bifurcation near the New England Seamount Chain. This northern branch gains heat by contact with the southern branch water upstream of bifurcation, and warms the Arctic Ocean and northern seas, thus playing a major role in ice dynamics, thermohaline circulation and possible global climate warming. These rings transport heat northward between the separated GS and shelf slope/Deep Western Boundary Current system (DWBC). This region has nearly level time mean isopycnals. The eddy heat transport convergence/divergence enhances the shelfbreak and GS front intensities and thus also increases watermass transformation. The fronts are maintained by warm advection by the Florida Current and cool advection by the DWBC. Thus, the GS interaction with the DWBC through the intermediate eddy field is climatologically important.

Dietrich, David E.↗
NASA NTRS1989

The 3DGRAPE book: Theory, users' manual, examples

A users' manual for a new three-dimensional grid generator called 3DGRAPE is presented. The program, written in FORTRAN, is capable of making zonal (blocked) computational grids in or about almost any shape. Grids are generated by the solution of Poisson's differential equations in three dimensions. The program automatically finds its own values for inhomogeneous terms which give near-orthogonality and controlled grid cell height at boundaries. Grids generated by 3DGRAPE have been applied to both viscous and inviscid aerodynamic problems, and to problems in other fluid-dynamic areas. The smoothness for which elliptic methods are known is seen here, including smoothness across zonal boundaries. An introduction giving the history, motivation, capabilities, and philosophy of 3DGRAPE is presented first. Then follows a chapter on the program itself. The input is then described in detail. A chapter on reading the output and debugging follows. Three examples are then described, including sample input data and plots of output. Last is a chapter on the theoretical development of the method.

Sorenson, Reese L.↗
DOE OSTI2026

Spatially Mapping the CO 2 Alkaline Sorbent Diffuse Microenvironment Using Operando Raman Spectroscopy

When designing a chemical process, the local balance of transport and kinetics, collectively referred to as the diffuse microenvironment, plays a critical role in performance but is difficult to directly observe. This work demonstrates a method of two-dimensional spatial chemical mapping of the diffuse microenvironment in the context of alkali metal hydroxide direct air capture of carbon dioxide using a custom operando gas-absorption flow cell along with confocal Raman spectroscopy. Notably, we observe the concentration boundary layer near the gas–liquid interface and elucidate the interplay of carbonate and bicarbonate ions within it while inferring local hydroxide depletion through continuum modeling. These first of their kind observations provide a technique to compare the performance of direct air capture solvents based on diffuse microenvironment dynamics while also providing metrics important for air contactor design such as boundary layer thickness. Overall, this work showcases a new experimental platform to study interfacial diffuse microenvironments in and outside of the field of direct air capture of carbon dioxide.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2019

Observational Constraint on the Radius and Oblateness of the Lunar Core‐Mantle Boundary

Lunar laser ranging (LLR) data and Apollo seismic data analyses, revealed independent evidence for the presence of a fluid lunar core. However, the size of the lunar fluid core remained uncertain by _55 km (encompassing two contrasting 2011 Apollo seismic data analyses). Here we show that a new description of the lunar interior's dynamical model provides a determination of the radius and geometry of the lunar core-mantle boundary (CMB) from the LLR observations. We compare the present day lunar core oblateness obtained from LLR analysis with the expected hydrostatic model values, over a range of previously expected CMB radii. The findings suggest a core oblateness (f(c) = (2.2 ± 0.6) x 10(exp 14)) that satisfies the assumption of hydrostatic equilibrium over a tight range of lunar CMB radii (R(CMB) = 381 ± 12 km). Our estimates of a presently-relaxed lunar CMB translates to a core mass fraction in the range of 1.59 - 1.77% with a present-day Free Core Nutation (FCN) within (367±100) years.

Moon↗
DOE OSTI2025

Numerical case study of the aerosol–cloud interactions in warm boundary layer clouds over the eastern North Atlantic with an interactive chemistry module

The presence of warm boundary layer stratiform clouds over the eastern North Atlantic (ENA) region is commonly influenced by the Azores High, especially during the summer season. To investigate comprehensive aerosol–cloud interactions, this study employs the Weather Research and Forecasting model coupled with a chemistry component (WRF-Chem), incorporating aerosol chemical components that are relevant to the formation of cloud condensation nuclei (CCN) and accounting for aerosol spatiotemporal variation. This study focuses on aerosol indirect effects, particularly the long-range transport of aerosols, in the ENA region under three different weather regimes: a ridge with a surface high-pressure system, a post-trough with a surface high-pressure system, and a weak trough. The WRF-Chem simulations conducted at a near-large-eddy scale offer valuable insights into the model's performance, especially in terms of its ability to use high spatial resolution to capture mesoscale cloud features across various weather regimes. Our result shows that introducing 5 times more aerosols to either non-precipitating or precipitating clouds significantly increases ambient CCN numbers, resulting in, to varying degrees, higher liquid water path (LWP) values. The substantial aerosol–cloud interaction especially occurs in the precipitating clouds and demonstrates the susceptibility of the LWP to changes in CCN under different regimes. Conversely, thin, non-rain clouds at the edges of a cloud system are prone to evaporation, exhibiting an aerosol drying effect. The aerosols released during this process transition back to the accumulation mode, facilitating future activation. This dynamic behavior is not adequately represented in prescribed-aerosol simulations.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1993

Dynamics of the atmosphere of Mars: Review of some outstanding problems

Theoretical and modeling studies based on fragmentary data are responsible for our current level of understanding of the dynamics of Mars' atmosphere at the planetary scale. Largely because the boundary conditions and governing parameters are such that the large-scale circulation regime is similar to that or Earth, it has been possible to derive a remarkable amount of information from a relatively small number of observations. Nevertheless, the level of detail available from theoretical and modeling studies far exceeds the validation capability of existing data. Global observations from Mars Observer instruments are expected to go far to remedy this mismatch. This review will present and examine several outstanding dynamical questions, which Mars Observer measurements should help to answer. These include the following: What are the temporal and three-dimensional spatial distributions of thermal tides? What is the distribution of momentum flux divergence due to internal gravity waves? Are normal modes an important component of the general circulation? If so, how do they vary with season? Do normal modes contribute to the initiation of planetary-scale dust storms? What are the details of the global circulation response to large and rapid injections of dust? Current understanding of these problems, the potential role of Mars Observer observations for addressing them, and the implications of answers for our understanding of the present climate and past climate regimes will be discussed.

Leovy, Conway B.↗
DOE OSTI2020

Method of information entropy for convergence assessment of molecular dynamics simulations

The lack of a reliable method to evaluate the convergence of molecular dynamics simulations has contributed to discrepancies in different areas of molecular dynamics. Here, the method of information entropy is introduced to molecular dynamics for stationarity assessment. The Shannon information entropy formalism is used to monitor the convergence of the atom motion to a steady state in a continuous spatial domain and is also used to assess the stationarity of calculated multidimensional fields such as the temperature field in a discrete spatial domain. It is demonstrated in this work that monitoring the information entropy of the atom position matrix provides a clear indicator of reaching steady state in radiation damage simulations, non-equilibrium molecular dynamics thermal conductivity computations, and simulations of Poiseuille and Couette flow in nanochannels. A main advantage of the present technique is that it is non-local and relies on fundamental quantities available in all molecular dynamics simulations. Unlike monitoring average temperature, the technique is applicable to simulations that conserve total energy such as reverse non-equilibrium molecular dynamics thermal conductivity computations and to simulations where energy dissipates through a boundary as in radiation damage simulations. The method is applied to simulations of iron using the Tersoff/ZBL splined potential, silicon using the Stillinger–Weber potential, and to Lennard–Jones fluid. Its applicability to both solids and fluids shows that the technique has potential for generalization to other areas in molecular dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Dynamic domain kinematic modelling for predicting interflow over leaky impeding layers

Traditional Boussinesq or kinematic simulations of interflow (i.e., lateral subsurface flow) assume no leakage through the impeding layer and require a no-flow boundary condition at the ridge top. However, recent analyses of many interflow-producing landscapes indicate that leaky impeding layers are common, that most interflow percolates well before reaching the toe slope, and therefore, the downslope contributing length is shorter than the hillslope length. In watersheds characterised by perched interflow over a low conductivity layer through permeable topsoil, interflow with percolation may be modelled with a kinematic wave model using a mobile upslope boundary condition defining the hillslope portion contributing interflow to valleys. Here, we developed and applied a dynamic interflow model to simulate interflow using a downslope travel distance concept such that only the active contributing length is modelled at any time. The model defines a variable active area based on the depth of the perched layer, the topographic slope and the ratio of the hydraulic conductivity of topsoil to that of the impeding layer. It incorporates a two-layer soil moisture accounting water balance analysis, a pedo-transfer function, and percolation and evaporation routines to predict interflow rates in continuous and event-based scenarios. We tested the modelling concept on two sets of data (2-year dataset of rainfall observations for the continuous simulation and a multi-day irrigation experiment for the event simulation) from a 121-m-long open interflow collection trench on an experimental hillslope at the Savannah River Site, South Carolina. The continuous model simulation partially represented the observed interflow hydrograph and perched water depth in the experimental hillslope with correlation coefficients of 0.85 and 0.35, respectively. Model performance improved significantly at event-scale analysis. The modelling approach realistically represents interflow dynamics in hillslopes with leaky impeding layers and can be integrated into catchment-scale hydrology models for more detailed hillslope process modelling.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Computational modeling of grain boundary segregation: A review

Nearly all metals, alloys, ceramics, and their associated composites are polycrystalline in nature, with grain boundaries that separate well-defined crystalline regions that influence materials properties. In all but the most pure elemental systems, intentional solutes or impurities are present and can segregate to, or less commonly away from, the grain boundaries, in turn influencing boundary behavior, their stability, and associated materials properties. In some cases, grain-boundary segregation can also trigger “phase-like” structural transitions that dramatically alter the essential nature of the boundary. With the development of advanced electron microscopy techniques, researchers can directly observe grain-boundary structures and segregation with atomic precision. Despite such spatial resolution, the underlying mechanisms governing grain-boundary segregation remain difficult to characterize. As a result, computational modeling techniques such as density functional theory, molecular dynamics, mesoscale phase-field, continuum defect theory, and others are important complementary tools to experimental observations for studying grain-boundary segregation behavior. In conclusion, these computational methods offer the ability to explore the underlying formation mechanisms of grain-boundary segregation, elucidate complex segregation behavior, and provide insights into solutions to effectively controlling microstructure.

36 MATERIALS SCIENCE↗
NASA NTRS1972

The dynamic liquid squeeze film.

Experiments were conducted during which plane circular surfaces bounding a liquid squeeze film were subjected to impulsive loads. Pressure measurements within the liquid film and the boundary motion were recorded. These experimental results were compared with theoretical analyses which predict the bonding strength of dynamic squeeze films. The data show that the fluid inertia contributes significantly to the value of the bonding strength. It was also found that, for high loading rates, the liquid squeeze film can resist tensile loads. When in tension, liquid cavitation was observed. A photographic study was conducted which indicated that the inception of cavitation is directly related to the squeeze film liquid viscosity and inversely related to the film thickness.

Riepe, R.↗
DOE OSTI2020

The influence of boundary and edge-plasma modeling in computations of axisymmetric vertical displacement

A number of previously published studies apply extended-MHD computations to model macroscopic dynamics of tokamak vertical displacement events (VDEs). The characteristic plasma-wall contact and resistive-wall diffusion imply sensitivity to boundary conditions in a general sense, but which conditions have significant influence depends on how the plasma is modeled. This work examines these dependencies by comparing results of axisymmetric extended-MHD computations with different sets of boundary conditions, plasma thermal-conduction models, and wall resistivity values. The geometry and plasma parameters of the computations represent a modest-sized tokamak. The forced-displacement scenario and computational setup are similar to those used in previous 3D computations. The results show that for a given wall resistivity, the VDE time-scale is most sensitive to variations in the boundary and thermal-conduction parameters that affect electron thermal transport. The electrical conductivity depends on electron temperature, and the dependence on thermal transport stems from its influence on the electrical circuit that includes the open-field halo current. Lastly, conditions that lead to hotter, broader halo regions slow the evolution. Significant sensitivity to the boundary condition on plasma flow-velocity exists when electron thermal conduction is restricted and electron energy loss is convective, which is expected for conditions at the entrance of the magnetic presheath.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗