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At least 1,675 records · Page 93

Thermodynamics of grain-boundary phases

The past decade has seen a significant increase in research efforts aimed at understanding the thermodynamics of low-dimensional phases existing in many materials systems, ranging from two-dimensional materials to core regions of extended defects in crystalline solids. We review the current status of theoretical, computational, and experimental research on the “defect phases,” focusing on grain boundaries (GBs) in elemental and multicomponent polycrystalline materials. After reviewing the generalized concept of a phase of any dimensionality, we discuss recent progress in atomistic computer simulations of GB phase transformations and phase coexistences, including the observation of one-dimensional defects separating GB phases (defects in defects). Computational predictions compare well with experimental observations of multiple GB phases and segregation-induced phase transformations. An intriguing open question of GB thermodynamics is whether the GB free energy can be driven to a zero value by increasing solute segregation. We review recent efforts to understand this ultimate thermodynamic stabilization of GB phases and the possible polycrystalline microstructures that may arise. An outlook for future research in the field is discussed.

Materials science↗

Applications of computer-graphics animation for motion-perception research

The advantages and limitations of using computer animated stimuli in studying motion perception are presented and discussed. Most current programs of motion perception research could not be pursued without the use of computer graphics animation. Computer generated displays afford latitudes of freedom and control that are almost impossible to attain through conventional methods. There are, however, limitations to this presentational medium. At present, computer generated displays present simplified approximations of the dynamics in natural events. Very little is known about how the differences between natural events and computer simulations influence perceptual processing. In practice, the differences are assumed to be irrelevant to the questions under study, and that findings with computer generated stimuli will generalize to natural events.

Proffitt, D. R.↗

Electrodynamic tether system study

The purpose of this program is to define an Electrodynamic Tether System (ETS) that could be erected from the space station and/or platforms to function as an energy storage device. A schematic representation of the ETS concept mounted on the space station is presented. In addition to the hardware design and configuration efforts, studies are also documented involving simulations of the Earth's magnetic fields and the effects this has on overall system efficiency calculations. Also discussed are some preliminary computer simulations of orbit perturbations caused by the cyclic/night operations of the ETS. System cost estimates, an outline for future development testing for the ETS system, and conclusions and recommendations are also provided.

Source record↗

Probabilistic Analysis of Solid Oxide Fuel Cell Based Hybrid Gas Turbine System

The emergence of fuel cell systems and hybrid fuel cell systems requires the evolution of analysis strategies for evaluating thermodynamic performance. A gas turbine thermodynamic cycle integrated with a fuel cell was computationally simulated and probabilistically evaluated in view of the several uncertainties in the thermodynamic performance parameters. Cumulative distribution functions and sensitivity factors were computed for the overall thermal efficiency and net specific power output due to the uncertainties in the thermodynamic random variables. These results can be used to quickly identify the most critical design variables in order to optimize the design and make it cost effective. The analysis leads to the selection of criteria for gas turbine performance.

Gorla, Rama S. R.↗

Tomographic Reconstruction of the Neutron Time-Energy Spectrum from a Dense Plasma Focus

A dense plasma focus (DPF) nuclear fusion generator is an attractive pulsed neutron source in many applications, due to its relatively large neutron yield, produced in a short time duration. In order to design a DPF that generates neutrons within a specified time profile, or generates a neutron energy spectrum with specific properties, it is necessary to understand and be able to fully characterize the results of the fusion process releasing the neutrons. The time-energy spectrum of fusion neutrons is an ideal quantity to use to validate multiphysics codes that simulate the pinch and fusion processes, because it is a quantity that requires the physics of each of the stages leading up to and ending in the fusion reaction to be simulated correctly. In particular, since DPF fusion neutrons are not monoenergetic – and there can often be several fusion pinches creating neutrons – a computer simulation matching high quality neutron spectrum measurements provides great confidence in the fidelity of the simulation. In order to make such a comparison, it is first necessary to have quality measurements from which to infer the spectrum. In this work we pose neutron spectroscopy as the classical tomographic inverse problem from neutron time of flight data at multiple distances, but enhanced by using detector pairs designed to reduce the scatter background and with an additional measurement of the time profile of the fusion pinch near its source. The detector pairs enhance the quality of the time of flight measurements and the additional constraint posed by the measured time profile allows for temporal resolution in the spectrum reconstruction that is equal to the measurement resolution, which can be subnanosecond, and energy resolution in the 10’s of keV, without the problem being underconstrained. We present results from a Deuterium-fueled DPF at the U.S. Department of Energy’s Nevada National Security Site and show that we can infer the time-energy spectrum from our measurements for both single and multi-pinch fusion reactions with equal fidelity.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Increasing Accuracy in Computed Inviscid Boundary Conditions

A technique has been devised to increase the accuracy of computational simulations of flows of inviscid fluids by increasing the accuracy with which surface boundary conditions are represented. This technique is expected to be especially beneficial for computational aeroacoustics, wherein it enables proper accounting, not only for acoustic waves, but also for vorticity and entropy waves, at surfaces. Heretofore, inviscid nonlinear surface boundary conditions have been limited to third-order accuracy in time for stationary surfaces and to first-order accuracy in time for moving surfaces. For steady-state calculations, it may be possible to achieve higher accuracy in space, but high accuracy in time is needed for efficient simulation of multiscale unsteady flow phenomena. The present technique is the first surface treatment that provides the needed high accuracy through proper accounting of higher-order time derivatives. The present technique is founded on a method known in art as the Hermitian modified solution approximation (MESA) scheme. This is because high time accuracy at a surface depends upon, among other things, correction of the spatial cross-derivatives of flow variables, and many of these cross-derivatives are included explicitly on the computational grid in the MESA scheme. (Alternatively, a related method other than the MESA scheme could be used, as long as the method involves consistent application of the effects of the cross-derivatives.) While the mathematical derivation of the present technique is too lengthy and complex to fit within the space available for this article, the technique itself can be characterized in relatively simple terms: The technique involves correction of surface-normal spatial pressure derivatives at a boundary surface to satisfy the governing equations and the boundary conditions and thereby achieve arbitrarily high orders of time accuracy in special cases. The boundary conditions can now include a potentially infinite number of time derivatives of surface-normal velocity (consistent with no flow through the boundary) up to arbitrarily high order. The corrections for the first-order spatial derivatives of pressure are calculated by use of the first-order time derivative velocity. The corrected first-order spatial derivatives are used to calculate the second- order time derivatives of velocity, which, in turn, are used to calculate the corrections for the second-order pressure derivatives. The process as described is repeated, progressing through increasing orders of derivatives, until the desired accuracy is attained.

Dyson, Roger↗

An integrated human thermal system and its unsteady-state simulation

Consideration of an integrated human thermal system consisting of a human thermal system proper and an external thermal device. A mathematical model of the integrated system has been used in a computer simulation, and the simulation results have been verified through comparison with the results of experiments carried out on nine human subjects. The comparison indicates that the model simulates the system reasonably well.

Hsu, F. T.↗

A TREETOPS simulation of the Hubble Space Telescope-High Gain Antenna interaction

Virtually any project dealing with the control of a Large Space Structure (LSS) will involve some level of verification by digital computer simulation. While the Hubble Space Telescope might not normally be included in a discussion of LSS, it is presented to highlight a recently developed simulation and analysis program named TREETOPS. TREETOPS provides digital simulation, linearization, and control system interaction of flexible, multibody spacecraft which admit to a point-connected tree topology. The HST application of TREETOPS is intended to familiarize the LSS community with TREETOPS by presenting a user perspective of its key features.

Sharkey, John P.↗

Motion Control of Rover-Mounted Manipulators

This paper presents a simple online approach for motion control of rover-mounted manipulators. An integrated kinetic model of the rover-plus-manipulator system is derived which incorporates the nonholonomic rover constraint with the holonomic end-effector constraint. The redundancy introduced by the rover mobility is exploited to perform a set of user-specified additional tasks during end-effector motion. The configuration control approach is utilized to satisfy the nonholonomic rover constraint, while accomplishing the end-effector motion and the redundancy resolution goal simultaneously. This framework allows the user to assign weighting factors to the rover movement and manipulator motion, as well as to each task specification. The computational efficiency of the control scheme makes it particularly suitable for real-time implementation. The proposed method is applied to a planar two-jointed arm mounted on a rover, and computer simulation results are presented for illustration.

robotics rover manipulator holonomic end-effector ↗

The role of fluid-wall interactions on confined liquid diffusion using Mori theory

The dynamics of fluid confined in a nano-channel with smooth walls have been studied through velocity autocorrelation function within the memory function approach by incorporating the atomic level interactions of fluid with the confining wall. Expressions for the second and fourth sum rules of velocity autocorrelation have been derived for nano-channel which involves fluid-fluid and fluid-wall interactions. These expressions, in addition, involve pair correlation function and density profiles. The numerical contributions of fluid-wall interaction to sum rules are found to play a very significant role, specifically at smaller channel width. Results obtained for velocity autocorrelation and self-diffusion coefficient of a fluid confined to different widths of the nanochannel have been compared with the computer simulation results. The comparison shows a good agreement except when the width of the channel is of the order of two atomic diameters, where it becomes difficult to estimate sum rules involving the triplet correlation’s contribution.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Development of a high-fidelity multi-physics coupling between MCNP6.2 and CTF4.0 for VVER applications

Ensuring system safety in the design, licensing, and operation phases is a priority in the nuclear industry. Performing extensive, full-scale reactor safety experiments is often prohibitive due to the large associated costs. Computational simulations offer an alternative safety analysis method, typically with significant cost reductions. Recent high-level developments in technology and increased availability of computational resources have allowed the development of high-fidelity, high-resolution multi-physics coupled codes. Such developments may be used to generate reference models for deterministic core calculations. Under this framework, the high-fidelity continuous energy Monte Carlo-based neutron transport code MCNP6.2 was coupled externally with the state-of-the-art thermal-hydraulics subchannel code, CTF4.0 for VVER (Water-Water Energetic Reactor) applications. A VVER-1000 fuel assembly model was used to demonstrate the capability of the coupled code. The converged coupled solution is compared to initial results, consisting of the first MCNP evaluation and first CTF evaluation after initialization. The VVER-1000 type assembly results are compared to other evaluations of the same assembly model. The findings indicate good agreement with expectations and reference cases, where available. The initial results of the coupled MCNP6.2/CTF4.0 calculations at the assembly level for steady-state calculations are presented in this study, which may support future work toward high-fidelity coupled full-core modeling capabilities. The multi-physics model may be further improved, enhanced, and expanded for both cycle depletion and transient applications. Such a multi-physics system will also be applicable to the VVER-1200 and other triangular lattice designs and support their deployment and operation safely and economically. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Simulating hypervelocity impact effects on structures using the smoothed particle hydrodynamics code MAGI

Analysis of interaction occurring between space debris and orbiting structures is of great interest to the planning and survivability of space assets. Computer simulation of the impact events using hydrodynamic codes can provide some understanding of the processes but the problems involved with this fundamental approach are formidable. First, any realistic simulation is necessarily three-dimensional, e.g., the impact and breakup of a satellite. Second, the thickness of important components such as satellite skins or bumper shields are small with respect to the dimension of the structure as a whole, presenting severe zoning problems for codes. Thirdly, the debris cloud produced by the primary impact will yield many secondary impacts which will contribute to the damage and possible breakup of the structure. The problem was approached by choosing a relatively new computational technique that has virtues peculiar to space impacts. The method is called Smoothed Particle Hydrodynamics.

Libersky, Larry↗

Quantum Solver of Contracted Eigenvalue Equations for Scalable Molecular Simulations on Quantum Computing Devices

The accurate computation of ground and excited states of many-fermion quantum systems is one of the most consequential, contemporary challenges in the physical and computational sciences whose solution stands to benefit significantly from the advent of quantum computing devices. Existing methodologies using phase estimation or variational algorithms have potential drawbacks such as deep circuits requiring substantial error correction or non-trivial high-dimensional classical optimization. In this work, we introduce a quantum solver of contracted eigenvalue equations, the quantum analogue of classical methods for the energies and reduced density matrices of ground and excited states. The solver does not require deep circuits or difficult classical optimization and achieves an exponential speed-up over its classical counterpart. We demonstrate the algorithm though computations on both a quantum simulator and two IBM quantum processing units.

97 MATHEMATICS AND COMPUTING↗

Validation Data and Model Development for Fuel Assembly Response to Seismic Loads

Vibrations are inherently present in nuclear reactors, especially in cores and steam generators of pressurized water reactors (PWR). They can have significant effects on local heat transfer and wear and tear in the reactor and often set safety margins. The simulation of these multiphysics phenomena from first principles requires the coupling of several codes, which is one the most challenging tasks in modern computer simulation. Here an ambitious multiphysics multidisciplinary validation campaign is conducted. It relied on an integrated team of experimentalists and code developers to acquire benchmark and validation data for fluid-structure interaction codes. Data are focused on PWR fuel bundle behavior during seismic transients.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Machine-Learned Linear Structural Dynamics

The tension between accuracy and computational cost is a common thread throughout computational simulation. One such example arises in the modeling of mechanical joints. Joints are typically confined to a physically small domain and yet are computationally expensive to model with a high-resolution finite element representation. A common approach is to substitute reduced-order models that can capture important aspects of the joint response and enable the use of more computationally efficient techniques overall. Unfortunately, such reduced-order models are often difficult to use, error prone, and have a narrow range of application. In contrast, we propose a new type of reduced-order model, leveraging machine learning, that would be both user-friendly and extensible to a wide range of applications.

97 MATHEMATICS AND COMPUTING↗

Effect of wind turbulence and shear on landing performance of jet transports

Computer simulations of a Boeing 727 class aircraft landing in turbulence were developed by programming the longitudinal aircraft equations of motion into a digital computer with various input values of vertical and horizontal wind speeds. Turbulent wind data was fed to the computer in one-second intervals. The computer computed in one-second intervals the aircraft speed, altitude, horizontal distance traveled, rate-of-descent, pitch attitude, glide path angle (from edge of runway) and elevator angle. All computer runs were made in the 'stick-fixed' mode. The RMS values of altitude and velocity perturbations (from equilibrium) were found to be large when horizontal wind gusts had sinusoidal components at or near the phugoid (long period) frequency. Maximum RMS altitude deviations occurred when the vertical wind had sinusoidal components which were 1/10 to 1/5 of the phugoid frequency. When real wind data (obtained from NCAR Queen Air) were used as input winds good correlations were found to exist between RMS velocity perturbations and both horizontal and vertical wind shears.

Blick, E. F.↗

Numerical study of scramjet and ramjet flow fields

Two computer programs have been developed to numerically calculate complex, two-dimensional flow fields in scramjets. The first program is written for inlet analysis whereas the second program is written primarily for combustor analysis. Both programs solve the full two-dimensional Navier-Stokes equations by a well-known explicit, predictor-corrector technique. Turbulence is modeled by an algebraic eddy-viscosity model. The combustor program also includes one or more species conservation equations to calculate mixing and reacting flows. The hydrogen/air chemistry in this program is modeled by a complete reaction model. The combustor program has been recently modified to analyze axisymmetric ramjet dump combustor flow field. Results from these computer programs are presented that predict the flow in several scramjet inlet configurations, two model scramjet engine configurations, and in a dump combustor simulator. Computed results are also compared with available experimental data to allow assessment of the programs.

Kumar, A.↗