On the numerical solution of Poisson's equation
Numerical integration of Poisson equation for computer simulated plasma
COMPUTER SIMULATION↗
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Peptide Folding and Translocation Across the Water-Membrane Interface
The ability of small peptides to organize at aqueous interfaces was examined by performing a series of large-scale, molecular dynamics computer simulations of several peptides composed of two amino acids, nonpolar leucine (L) and polar glutamine (Q). The peptides differed in size and sequence of the amino acids. Studies on dipeptides LL, LQ, QL and QQ were extended to two heptamers, LQQLLQL and LQLQLQL, designed to maximize interfacial stability of an alpha-helix and a beta-strand, respectively, by exposing polar side chains to water and nonpolar side chains to a nonpolar phase. Finally, a transition of an undecamer, composed entirely of leucine residues, from a disordered structure in water to an alpha-helix in a nonpolar phase representing the interior of the membrane was investigated. Complete folding of a peptide in solution was accomplished for the first time in computer simulations. The simulations revealed several basic principles governing the sequence-dependent organization of peptides at interfaces. Short peptides tend to accumulate at interfaces and acquire ordered structures, providing that they have a proper sequence of polar and nonpolar amino acids. The dominant factor determining the interfacial structure of peptides is the hydrophobic effect, which is manifested at aqueous interfaces as a tendency for polar and nonpolar groups of the solute to segregate into the aqueous and nonpolar phases, respectively. If peptides consist of nonpolar residue's only, they become inserted into the nonpolar phase. As demonstrated by the example of the leucine undecamer, such peptides fold into an alpha-helix as they partition into the nonpolar medium. The folding proceeds through an intermediate, called 3-10-helix, which remains in equilibrium with the alpha-helix. Once in the nonpolar environment, the peptides can readily change their orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with respect to the interface from parallel to perpendicular, especially in response to local electric fields. The ability of nonpolar peptides to modify both the structure and orientation with changing external conditions may have provided a simple mechanism of transmitting signals from the environment to the interior of a cell.
Pohorille, Andrew↗
Shape-dependent control of cell growth, differentiation, and apoptosis: switching between attractors in cell regulatory networks
Development of characteristic tissue patterns requires that individual cells be switched locally between different phenotypes or "fates;" while one cell may proliferate, its neighbors may differentiate or die. Recent studies have revealed that local switching between these different gene programs is controlled through interplay between soluble growth factors, insoluble extracellular matrix molecules, and mechanical forces which produce cell shape distortion. Although the precise molecular basis remains unknown, shape-dependent control of cell growth and function appears to be mediated by tension-dependent changes in the actin cytoskeleton. However, the question remains: how can a generalized physical stimulus, such as cell distortion, activate the same set of genes and signaling proteins that are triggered by molecules which bind to specific cell surface receptors. In this article, we use computer simulations based on dynamic Boolean networks to show that the different cell fates that a particular cell can exhibit may represent a preprogrammed set of common end programs or "attractors" which self-organize within the cell's regulatory networks. In this type of dynamic network model of information processing, generalized stimuli (e.g., mechanical forces) and specific molecular cues elicit signals which follow different trajectories, but eventually converge onto one of a small set of common end programs (growth, quiescence, differentiation, apoptosis, etc.). In other words, if cells use this type of information processing system, then control of cell function would involve selection of preexisting (latent) behavioral modes of the cell, rather than instruction by specific binding molecules. Importantly, the results of the computer simulation closely mimic experimental data obtained with living endothelial cells. The major implication of this finding is that current methods used for analysis of cell function that rely on characterization of linear signaling pathways or clusters of genes with common activity profiles may overlook the most critical features of cellular information processing which normally determine how signal specificity is established and maintained in living cells. Copyright 2000 Academic Press.
Review↗
Free-Space Optical Communication for CubeSats in Low Lunar Orbit (LLO)
A fine pointing capability has been developed for laser beam pointing to augment body pointing by CubeSats. An application is made to CubeSats in Low Lunar Orbit (LLO), at 100 km. Body pointing was used by Aerospace Corporation for CubeSats in LEO in NASA’s Optical Communications and Sensors Demonstration (OCSD) program. Computer simulations of this fine pointing capability have been applied to the OCSD program. With fine pointing, the spot size on the Earth could be reduced by a factor of eight with a reduction in laser output power by a factor of sixty-four, thereby mitigating the thermal load challenge on the CubeSats. The same reductions in spot size and laser output power can be achieved for CubeSats in LLO. The new method uses laser arrays for fine laser beam pointing and does not use moving parts. It combines a lens system and a VCSEL/Photodetector Array. For these electro-optical systems, reaction times to pointing changes and vibrations are on a nanosecond time scale, much faster than those for mechanical systems. Results from computer simulations will be presented.
Laser beam pointing↗
Theta-pinch shock implosion calculations by model simulation of collisionless ion Vlasov equation
Theta pinch shock implosion calculations by computer simulation of collisionless ion Vlasov equation
VLASOV EQUATION↗
Free-Space Optical Communication for CubeSats in Low Lunar Orbit (LLO)
The NASA ARTEMIS Program will include LunaNet, a highly extensible, open architecture, lunar communications and navigation network. A constellation of CubeSats in Low Lunar Orbit (LLO), 100 km, could form an optical communications and navigation network as part of LunaNet, with terminals on the lunar surface, including mobile ones such as with astronauts and rovers. The proposed CubeSat nodes should provide data relay and navigational aid services. The proposed effort herein is to develop a fine pointing capability for laser beam pointing to augment body pointing by CubeSats. Body pointing was used by Aerospace Corporation for the CubeSats in LEO in NASA’s Optical Communications and Sensors Demonstration (OCSD) program [1]. Previously, this fine pointing capability was computer simulated for the OCSD program [2,3]. With fine pointing, the spot size on the Earth was reduced by a factor of eight with a reduction in laser output power by a factor of sixty-four, thereby mitigating the thermal load challenge on the CubeSats. The same reductions in spot size and laser output power can be achieved for CubeSats in LLO. A new method is described for optical data transmissions from satellites, which uses laser arrays for laser beam pointing. It combines a lens system and an array of vertical-cavity, surface-emitting lasers and photodetectors, an VCSEL/Photodetector Array, (both mature technologies), in a novel way. This system is applied to CubeSats in low lunar orbit, (LLO), which use body pointing. Also, It may be able to replace current architectures which use dynamical systems, (i.e., moving parts) to point the laser, and which may also use vibration isolation platforms. The computer simulations used the optics code, OpticStudio, from Zemax, LLC, which has the capabilities to model the laser source and diffraction effects from wave optics. These capabilities make it possible to model laser beam propagation over long space communication distances.
Goorjian, P. M.↗
Single-Scattering Properties of Melting Precipitation for GPM Passive Microwave and Radar Remote Sensing Applications
Over the past two decades, detailed computational simulations of the intricate three dimensional structures of ice-phase crystals and aggregates of those crystals have been developed. The microwave single-scattering properties of these simulated ice particles have been computed and used to improve quantitative estimates of snow rates and to better deRne the vertical structure of snow water contents in deep convective systems, as derived from satellite-borne passive microwave and/or radar remote sensing measurements. The same icephase particles have more recently been used as the starting point for simulations of melting precipitation using computational melting methods. In the current study, a heuristic melting method, as well as a physically-based melting procedure based on smoothed-particle hydrodynamics, are applied to ice particle models to describe the full evolution of the particles from dry snow to liquid drops. The discrete dipole approximation is utilized to calculate the single-scattering properties of the mixed-phase particles throughout the melting process. Then, the properties of the particles are “mapped” into simpliRed microphysical simulations of particle size spectra in the melting layers of stratiform, precipitating clouds. The bulk single-scattering properties of the melting layers and the sensitivity of their properties to modeling assumptions are explored, and the implications for combined radar-radiometer precipitation remote sensing from GPM are discussed.
William S Olson↗
Composite Fan Blade Design for Advanced Engine Concepts
The aerodynamic and structural viability of composite fan blades of the revolutionary Exo-Skeletal engine are assessed for an advanced subsonic mission using the NASA EST/BEST computational simulation system. The Exo-Skeletal Engine (ESE) calls for the elimination of the shafts and disks completely from the engine center and the attachment of the rotor blades in spanwise compression to a rotating casing. The fan rotor overall adiabatic efficiency obtained from aerodynamic analysis is estimated at 91.6 percent. The flow is supersonic near the blade leading edge but quickly transitions into a subsonic flow without any turbulent boundary layer separation on the blade. The structural evaluation of the composite fan blade indicates that the blade would buckle at a rotor speed that is 3.5 times the design speed of 2000 rpm. The progressive damage analysis of the composite fan blade shows that ply damage is initiated at a speed of 4870 rpm while blade fracture takes place at 7640 rpm. This paper describes and discusses the results for the composite blade that are obtained from aerodynamic, displacement, stress, buckling, modal, and progressive damage analyses. It will be demonstrated that a computational simulation capability is readily available to evaluate new and revolutionary technology such as the ESE.
Abumeri, Galib H.↗
Experimental and numerical analysis of the wing rock characteristics of a 'wing-body-tail' configuration
Free-to-roll wind tunnel tests were conducted and a computer simulation exercise was performed in an effort to investigate in detail the mechanism of wing rock on a configuration that consisted of a highly-slender forebody and a 78 deg swept delta wing. In the wind tunnel test, the roll angle and wing surface pressures were measured during the wing rock motion. A limit cycle oscillation was observed for angles of attack between 22 deg and 30 deg. In general, the wind tunnel test confirmed that the main flow phenomena responsible for the wing-body-tail wing rock are the interactions between the forebody and the wing vortices. The variation of roll acceleration (determined from the second derivative of the roll angle time history) with roll angle clearly showed the energy balance necessary to sustain the limit cycle oscillation. Pressure measurements on the wing revealed the hysteresis of the wing rock process. First, second and nth order models for the aerodynamic damping were developed and examined with a one degree of freedom computer simulation. Very good agreement with the observed behavior from the wind tunnel was obtained.
Suarez, Carlos J.↗
Influence of linear profile modification and loading conditions on the dynamic tooth load and stress of high contact ratio gears
A computer simulation for the dynamic response of high-contact-ratio spur gear transmissions is presented. High contact ratio gears have the potential to produce lower dynamic tooth loads and minimum root stress but they can be sensitive to tooth profile errors. The analysis presented examines various profile modifications under realistic loading conditions. The effect of these modifications on the dynamic load (force) between mating gear teeth and the dynamic root stress is presented. Since the contact stress is dependent on the dynamic load, minimizing dynamic loads will also minimize contact stresses. It is shown that the combination of profile modification and the applied load (torque) carried by a gear system has a significant influence on gear dynamics. The ideal modification at one value of applied load will not be the best solution for a different load. High-contact-ratio gears were found to require less modification than standard low-contact-ratio gears. High-contact-ratio gears are more adversely affected by excess modification than by under modification. In addition, the optimal profile modification required to minimize the dynamic load (hence the contact stress) on a gear tooth differs from the optimal modification required to minimize the dynamic root (bending) stress. Computer simulation can help find the design tradeoffs to determine the best profile modification to satisfy the conflicting constraints of minimizing both the load and root stress in gears which must operate over a range of applied loads.
Lee, Chinwai↗
Validation of Kestrel IDDES Simulations for SLS Transition Analysis
Complex computational simulations are needed to support the Space Launch System (SLS) program, and the fidelity of the computational results must be defended. More specifically, a number of databases are produced for the transition phase of flight, which occurs after the rocket clears the tower but before reaching transonic speeds. In an effort to reduce computational uncertainty, many of the computational parameters were altered to determine the sensitivity of the results to the value of the parameter and then updating the best practice procedures. The baseline routines were developed over many years through the maturation of the SLS program, and this paper delivers a detailed discussion of these baseline results. This section is followed by demonstration of perturbing some of the more significant parameters, including time step and turbulence model, and concluded with a summary of the herein determined best practices for such analysis.
CFD↗
Long period nodal motion of sun synchronous orbits
An approximative model is formulated for assessing these perturbations that significantly affect long term modal motion of sun synchronous orbits. Computer simulations with several independent computer programs consider zonal and tesseral gravitational harmonics, third body gravitational disturbances induced by the sun and the moon, and atmospheric drag. A pendulum model consisting of evenzonal harmonics through order 4 and solar gravity dominated nodal motion approximation. This pendulum motion results from solar gravity inducing an inclination oscillation which couples into the nodal precession induced by the earth's oblateness. The pendulum model correlated well with simulations observed flight data.
Duck, K. I.↗
A Review of Discrete Element Method (DEM) Particle Shapes and Size Distributions for Lunar Soil
As part of ongoing efforts to develop models of lunar soil mechanics, this report reviews two topics that are important to discrete element method (DEM) modeling the behavior of soils (such as lunar soils): (1) methods of modeling particle shapes and (2) analytical representations of particle size distribution. The choice of particle shape complexity is driven primarily by opposing tradeoffs with total number of particles, computer memory, and total simulation computer processing time. The choice is also dependent on available DEM software capabilities. For example, PFC2D/PFC3D and EDEM support clustering of spheres; MIMES incorporates superquadric particle shapes; and BLOKS3D provides polyhedra shapes. Most commercial and custom DEM software supports some type of complex particle shape beyond the standard sphere. Convex polyhedra, clusters of spheres and single parametric particle shapes such as the ellipsoid, polyellipsoid, and superquadric, are all motivated by the desire to introduce asymmetry into the particle shape, as well as edges and corners, in order to better simulate actual granular particle shapes and behavior. An empirical particle size distribution (PSD) formula is shown to fit desert sand data from Bagnold. Particle size data of JSC-1a obtained from a fine particle analyzer at the NASA Kennedy Space Center is also fitted to a similar empirical PSD function.
Lane, John E.↗
Technical Report on Subsurface Monitoring of the Brady Hot Spring Geothermal Site, Nevada, based upon Full Waveform Inversion
Abilities to accurately characterize the subsurface in a geothermal setting is key to assess and support production. An important element of geothermal reservoir monitoring is also the ability to investigate fluid transport within fracture network. This report focuses on improving subsurface imaging and monitoring in geothermal settings using full waveform inversion based on the adjoint method and time-lapse imaging. To assess our method, we rely on a dense seismic dataset collected in 2016 at the Brady Hot Springs geothermal site in Nevada for the DOE-funded project Poroelastic Tomography by Adjoint Inverse Modeling of Data from Seismology, Geodesy, and Hydrology. This dataset captures subsurface changes across four stages of geothermal power plant operations, which involve varying rates of fluid injection and extraction. Two velocity models were previously derived from this dataset using different methods: one based on travel times and another on sweep interferometry. Our first step is to refine these models using adjoint tomography, which has been applied successfully at global and regional-scales but is less common at the reservoir-scale. Two approaches are then explored for time-lapse analysis: directly comparing refined tomographic models from different stages or backpropagating waveform differences relative to a baseline tomographic model. The main take away is that both approaches highlight similar reservoir behaviors, but the latter approach is more computationally effective in capturing small-scale changes in subsurface properties. For this work, we leverage the use of Salvus (www.mondaic.com), an end-to-end seismic imaging solution, relying on the spectral element method to compute forward and adjoint simulations, and developed by Mondaic Ltd. It includes integrated workflow management that handles waveform and metadata, launches simulations, computes waveform misfits and adjoint sources, and iterates for model updates by nonlinear optimization.
15 GEOTHERMAL ENERGY↗
In-Situ Adaptive Manifolds: Enabling computationally efficient simulations of complex turbulent reacting flows
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Cristian E. Lacey↗
Computers for simulation of space vehicle systems
Computerized simulation of space vehicle systems
Howe, R. M.↗
Functional requirements for design of the Space Ultrareliable Modular Computer (SUMC) system simulator
The functional requirements for the design of an interpretive simulator for the space ultrareliable modular computer (SUMC) are presented. A review of applicable existing computer simulations is included along with constraints on the SUMC simulator functional design. Input requirements, output requirements, and language requirements for the simulator are discussed in terms of a SUMC configuration which may vary according to the application.
Curran, R. T.↗
Transient response to three-phase faults on a wind turbine generator
In order to obtain a measure of its responses to short circuits a large horizontal axis wind turbine generator was modeled and its performance was simulated on a digital computer. Simulation of short circuit faults on the synchronous alternator of a wind turbine generator, without resort to the classical assumptions generally made for that analysis, indicates that maximum clearing times for the system tied to an infinite bus are longer than the typical clearing times for equivalent capacity conventional machines. Also, maximum clearing times are independent of tower shadow and wind shear. Variation of circuit conditions produce the modifications in the transient response predicted by analysis.
Gilbert, L. J.↗