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At least 1,423 records · Page 79

Atomic-scale polarization switching in wurtzite ferroelectrics

Ferroelectric wurtzites have the potential to revolutionize modern microelectronics because they are easily integrated with multiple mainstream semiconductor platforms. However, the electric fields required to reverse their polarization direction and unlock electronic and optical functions need substantial reduction for operational compatibility with complementary metal-oxide semiconductor (CMOS) electronics. To understand this process, we observed and quantified real-time polarization switching of a representative ferroelectric wurtzite (Al 0.94 B 0.06 N) at the atomic scale with scanning transmission electron microscopy. The analysis revealed a polarization reversal model in which puckered aluminum/boron nitride rings in the wurtzite basal planes gradually flatten and adopt a transient nonpolar geometry. Independent first-principles simulations reveal the details and energetics of the reversal process through an antipolar phase. Furthermore, this model and local mechanistic understanding are a critical initial step for property engineering efforts in this emerging material class.

36 MATERIALS SCIENCE↗

Inferring small-sample-reactivity worth from oscillation experiment with auto-corrected local flux

To estimate reactivity changes as a function of time from the signal of detectors count rates, one usually uses point kinetic equations. However, when detectors are located inside the core, it is often necessary to compute a correction factor to account for the flux-shape deformation (i.e. the change of detector efficiency that may have been induced by neutron absorbers movements). Various simulation methods have been developed depending on transients observed. They range from the resolution of static equations up to full-time-dependent neutron transport in 3D. However, those methods require high computational-cost calculations of local reaction rates that rely on nuclear data evaluations. Therefore, a 'measured' reactivity is never determined through pure measurements. Taking advantage of the known oscillation movement of a small sample at the center of the MINERVE reactor, the innovative algorithm presented in this paper derives the correction factor needed to get no time drift on reactivity steps. Derived correction factors are in good agreement with those obtained independently with TRIPOLI-4 through sensitivity analysis. Low sensitivity to the sample composition and moderate sensitivity to the detectors position reinforce the reliability of those results. This application paves the way to almost pure nuclear data reactivity measurements. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A Numerical Simulation of a Single Shock-Accelerated Particle

Particle drag models, which capture macro viscous and pressure effects, have been developed over the years for various flow regimes to enable cost effective simulations of particle-laden flows. The relatively recent derivation by Maxey and Riley has provided an exact equation of motion for spherical particles in a flow field based on the continuum assumption. Many models that have been simplified from these equations have provided reasonable approximations; however, the sensitivity of particle-laden flows to particle drag requires a very accurate model to simulate. To develop such a model, a 2D axisymmetric Navier-Stokes direct numerical simulation of a single particle in a transient, shock-driven flow field was conducted in the hydrocode FLAG. FLAG’s capability to run arbitrary Lagrangian-Eulerian hydrodynamics coupled with solid mechanic models makes it an ideal code to capture the physics of the flow field around and in the particle as it is shock-accelerated – a challenging regime to study. The goal of this work is twofold: to provide a validation for FLAG’s Navier-Stokes and heat diffusion solutions, and to provide a rationale for recent experimental particle drag measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Impact of Integration Scheme on Performance of Anisotropic Plasticity Models

Given the prevalent role of metals in a variety of industries, schemes to integrate corresponding constitutive models in finite element applications have long been studied. A number of formulations have been developed to accomplish this task; each with their own advantages and costs. Often the focus has been on ensuring the accuracy and numerical stability of these algorithms to enable robust integration. While important, emphasis on these performance metrics may often come at the cost of computational expense potentially neglecting the needs of individual problems. In the current work, the performance of two of the most common integration methods for anisotropic plasticity -- the convex cutting plane (CCP) and closest point projection (CPP) -- across a variety of metrics is assessed; including accuracy and cost. A variety of problems are considered ranging from single elements to large representative simulations including both implicit quasistatic and explicit transient dynamic type responses. The relative performance of each scheme in the different instances is presented with an eye towards guidance on when the different algorithms may be beneficial.

36 MATERIALS SCIENCE↗

Development of SAM Code Capabilities for Safety Analysis of GCR Air-ingress Events

Air-ingress following a depressurized loss-of-forced-cooling (DLOFC) event is a challenging, multiphysics safety scenario for High-Temperature Gas-Cooled Reactors (HTGRs), involving coupled gas composition transport, buoyancy-driven flow redistribution, graphite oxidation, and structural heat-up. Despite its importance — air ingress is a key scenario identified in the PIRT process for the HTGRs — existing system-level safety codes have lacked the integrated capability to simulate the complete event sequence with high confidence. This report documents the development, validation, and demonstration of three new capabilities in the SAM code to address this gap: (1) a multi-component gas mixture flow model with binary diffusion to track the helium-air composition and its effect on system density and flow; (2) a 0-D graphite oxidation model based on the Roes correlation, including oxygen consumption and exothermic heat release; and (3) an isentropic critical flow model for accurate representation of primary system depressurization through a break. These capabilities are validated against two benchmark experiments. The NSTF heavy-gas ingress experiment validates the multi-component flow model: SAM correctly reproduces the rapid buoyancydriven flow stagnation and subsequent natural circulation recovery driven by composition-dependent density changes. The NACOK graphite oxidation experiment validates the oxidation model: SAM predicts a bottom-level graphite weight loss of 25%, in close agreement with the measured 24%, and reproduces the strong axial nonuniformity and block-geometry dependence of oxidation, at a level comparable to the SPECTRA and TINTE codes. The validated capabilities are then exercised together in an integrated, reactor-scale simulation of a DLOFC air-ingress transient in a simplified HTR-PM pebble-bed reactor. In a single calculation spanning approximately 8 days, SAM reproduces the complete accident sequence: rapid depressurization, densityand diffusion-driven air ingress over ˜15 hours, onset of buoyancy-driven natural circulation, exothermic graphite oxidation with a peak fuel temperature at ˜62 hours, and eventual passive cooldown. These results demonstrate that SAM now provides the nuclear community with a preliminarily validated, modern systemlevel tool for HTGR air-ingress safety analysis, filling a recognized capability gap. Future extensions to broaden species tracking, improve oxidation chemistry, and refine the reactor model are discussed.

Yang, Gang↗

Fast differential thermal analysis.

A study is conducted of the limits of time-dependent differential thermal analysis (DTA). Applications of DTA to the hysteresis phenomena of glasses are also reported. The computation of DTA sample temperatures is discussed, giving attention to feasible heating rates, transient effects to be measured, and the simulation of DTA responses to changes in thermal diffusivity similar to hysteresis phenomena in glasses. The reproducibility of temperature recording is checked with zone-refined organic chemicals.

Wunderlich, B.↗

Kinetic approach to the evaporation and condensation problem

In the paper, the Boltzmann equation governing the evaporation and condensation phenomena is solved by the Monte Carlo method. Based on the kinetic theory of gas the role of the non-equilibrium Knudsen layer and the growth of the hydrodynamic region outside the layer as time proceeds are simulated. Results show two possible types of transient developments in the vapor phase. The effects of the molecular absorption coefficient of the phase surface are examined. Except in the case of very strong evaporation the kinematic effects of binary collisions among vapor molecules on the mass flux rate are not serious. The limiting case of the quasi-steady evaporation and the maximal value of the evaporation rate are obtained.

Murakami, M.↗

Engine dynamic analysis with general nonlinear finite-element codes. I Overall approach and development of bearing damper element

NASA-sponsored research on engine dynamic simulation using general finite element nonlinear time transient computer codes available on the open market is reviewed. The approach taken was to develop software packages to model engine components which are not typically found on dynamical structures and are therefore not already computer codes. The software package developed for squeeze-film bearing dampers is outlined, and the results of a parametric study of damper pressure for a variety of specified circular orbits are presented for both long-bearing and short-bearing solutions. The data from a four-degree-of-freedom rotor-damper-stator model under conditions of small rotor unbalance through large rotor unbalance are also given.

Adams, M. L.↗

Nonlinear structural analysis of a turbine airfoil using the Walker viscoplastic material model for B1900 + Hf

A viscoplastic material model for the high temperature turbine airfoil material B1900 + Hf was developed and was demonstrated in a three dimensional finite element analysis of a typical turbine airfoil. The demonstration problem is a simulated flight cycle and includes the appropriate transient thermal and mechanical loads typically experienced by these components. The Walker viscoplastic material model was shown to be efficient, stable and easily used. The demonstration is summarized and the performance of the material model is evaluated.

Meyer, T. G.↗

Systems Improved Numerical Fluids Analysis Code

Systems Improved Numerical Fluids Analysis Code, SINFAC, consists of additional routines added to April, 1983, version of SINDA. Additional routines provide for mathematical modeling of active heat-transfer loops. Simulates steady-state and pseudo-transient operations of 16 different components of heat-transfer loops, including radiators, evaporators, condensers, mechanical pumps, reservoirs, and many types of valves and fittings. Program contains property-analysis routine used to compute thermodynamic properties of 20 different refrigerants. Source code written in FORTRAN 77.

Costello, F. A.↗

Transient thermal-structural analysis using adaptive unstructured remeshing and mesh movement

An adaptive unstructured remeshing technique is applied to transient thermal-structural analysis. The effectiveness of the technique, together with the finite element method and an error estimation technique, is evaluated by two applications which have exact solutions: (1) the steady-state thermal analysis of a plate subjected to a highly localized surface heating, and (2) the transient thermal-structural analysis of a simulated convectively cooled leading edge subjected to a translating heat source. These applications demonstrate that the remeshing technique significantly reduces the problem size as well as the analysis solution error as compared to the results produced using standard structured meshes.

Dechaumphai, Pramote↗

Infrared radiation parameterizations for the minor CO2 bands and for several CFC bands in the window region

Fast and accurate parameterizations have been developed for the transmission functions of the CO2 9.4- and 10.4-micron bands, as well as the CFC-11, CFC-12, and CFC-22 bands located in the 8-12-micron region. The parameterizations are based on line-by-line calculations of transmission functions for the CO2 bands and on high spectral resolution laboratory measurements of the absorption coefficients for the CFC bands. Also developed are the parameterizations for the H2O transmission functions for the corresponding spectral bands. Compared to the high-resolution calculations, fluxes at the tropopause computed with the parameterizations are accurate to within 10 percent when overlapping of gas absorptions within a band is taken into account. For individual gas absorption, the accuracy is of order 0-2 percent. The climatic effects of these trace gases have been studied using a zonally averaged multilayer energy balance model, which includes seasonal cycles and a simplified deep ocean. With the trace gas abundances taken to follow the Intergovernmental Panel on Climate Change Low Emissions 'B' scenario, the transient response of the surface temperature is simulated for the period 1900-2060.

Kratz, David P.↗

Research on Orbital Plasma-Electrodynamics (ROPE)

Since the development of probe theory by Langmuir and Blodgett, the problem of current collection by a charged spherically or cylindrically symmetric body has been investigated by a number of authors. This paper overviews the development of a fully three-dimensional particle simulation code which can be used to understand the physics of current collection in three dimensions and can be used to analyze data resulting from the future tethered satellite system (TSS). According to the TSS configurations, two types of particle simulation models were constructed: a simple particle simulation (SIPS) and a super particle simulation (SUPS). The models study the electron transient response and its asymptotic behavior around a three dimensional, highly biased satellite. The potential distribution surrounding the satellite is determined by solving Laplace's equation in the SIPS model and by solving Poisson's equation in the SUPS model. Thus, the potential distribution in space is independent of the density distribution of the particles in the SUPS model but it does depend on the density distribution of the particles in the SUPS model. The evolution of the potential distribution in the SUPS model is described. When the spherical satellite is charged to a highly positive potential and immersed in a plasma with a uniform magnetic field, the formation of an electron torus in the equatorial plane (the plane in perpendicular to the magnetic field) and elongation of the torus along the magnetic field are found in both the SIPS and the SUPS models but the shape of the torus is different. The areas of high potential that exist in the polar regions in the SUPS model exaggerate the elongation of the electron torus along the magnetic field. The current collected by the satellite for different magentic field strengths is investigated in both models. Due to the nonlinear effects present in SUPS, the oscillating phenomenon of the current collection curve during the first 10 plasma periods can be seen (this does not appear in SIPS). From the parametric studies, it appears that the oscillating phenomenon of the current collection curve occurs only when the magnetic field strength is less than 0.2 gauss for the present model.

Wu, S. T.↗

Magnetosheath magnetic field variability

A case study using simulations IRM and CCE observations demonstrates that transient magnetospheric events correspond to pressure pulses in the magnetosheath, inward bow shock motion, and magnetopause compression. Statistical surveys indicate that the magnetosheath magnetic field orientation rarely remains constant during periods of magnetopause and bow shock motion (both characterized by periods of 1 to 10 min). There is no tendency for bow shock motion to occur for southward interplanetary magnetic field (IMF) orientations.

Sibeck, D. G.↗

Transient Mathematical Modeling for Liquid Rocket Engine Systems: Methods, Capabilities, and Experience

The subject of mathematical modeling of the transient operation of liquid rocket engines is presented in overview form from the perspective of engineers working at the NASA Marshall Space Flight Center. The necessity of creating and utilizing accurate mathematical models as part of liquid rocket engine development process has become well established and is likely to increase in importance in the future. The issues of design considerations for transient operation, development testing, and failure scenario simulation are discussed. An overview of the derivation of the basic governing equations is presented along with a discussion of computational and numerical issues associated with the implementation of these equations in computer codes. Also, work in the field of generating usable fluid property tables is presented along with an overview of efforts to be undertaken in the future to improve the tools use for the mathematical modeling process.

Martin, Michael A.↗

Crash Simulation of a Vertical Drop Test of a B737 Fuselage Section with Overhead Bins and Luggage

The focus of this paper is to describe a crash simulation of a 30-ft/s vertical drop test of a Boeing 737 (B737) fuselage section. The drop test of the 10-ft. long fuselage section of a B737 aircraft was conducted in November of 2000 at the FAA Technical Center in Atlantic City, NJ. The fuselage section was outfitted with two different commercial overhead stowage bins. In addition, 3,229-lbs. of luggage were packed in the cargo hold to represent a maximum take-off weight condition. The main objective of the test was to evaluate the response and failure modes of the overhead stowage bins in a narrow-body transport fuselage section when subjected to a severe, but survivable, impact. A secondary objective of the test was to generate experimental data for correlation with the crash simulation. A full-scale 3-dimensional finite element model of the fuselage section was developed and a crash simulation was conducted using the explicit, nonlinear transient dynamic code, MSC.Dytran. Pre-test predictions of the fuselage and overhead bin responses were generated for correlation with the drop test data. A description of the finite element model and an assessment of the analytical/experimental correlation are presented. In addition, suggestions for modifications to the model to improve correlation are proposed.

Jackson, Karen E.↗

Transient Mathematical Modeling for Liquid Rocket Engine Systems: Methods, Capabilities, and Experience

The subject of mathematical modeling of the transient operation of liquid rocket engines is presented in overview form from the perspective of engineers working at the NASA Marshall Space Flight Center. The necessity of creating and utilizing accurate mathematical models as part of liquid rocket engine development process has become well established and is likely to increase in importance in the future. The issues of design considerations for transient operation, development testing, and failure scenario simulation are discussed. An overview of the derivation of the basic governing equations is presented along with a discussion of computational and numerical issues associated with the implementation of these equations in computer codes. Also, work in the field of generating usable fluid property tables is presented along with an overview of efforts to be undertaken in the future to improve the tools use for the mathematical modeling process.

Seymour, David C.↗