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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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NASA NTRS1987

Practical implementation of an accurate method for multilevel design sensitivity analysis

Solution techniques for handling large scale engineering optimization problems are reviewed. Potentials for practical applications as well as their limited capabilities are discussed. A new solution algorithm for design sensitivity is proposed. The algorithm is based upon the multilevel substructuring concept to be coupled with the adjoint method of sensitivity analysis. There are no approximations involved in the present algorithm except the usual approximations introduced due to the discretization of the finite element model. Results from the six- and thirty-bar planar truss problems show that the proposed multilevel scheme for sensitivity analysis is more effective (in terms of computer incore memory and the total CPU time) than a conventional (one level) scheme even on small problems. The new algorithm is expected to perform better for larger problems and its applications on the new generation of computer hardwares with 'parallel processing' capability is very promising.

Nguyen, Duc T.↗
NASA NTRS1997

Analysis of 2D Torus and Hub Topologies of 100Mb/s Ethernet for the Whitney Commodity Computing Testbed

A variety of different network technologies and topologies are currently being evaluated as part of the Whitney Project. This paper reports on the implementation and performance of a Fast Ethernet network configured in a 4x4 2D torus topology in a testbed cluster of 'commodity' Pentium Pro PCs. Several benchmarks were used for performance evaluation: an MPI point to point message passing benchmark, an MPI collective communication benchmark, and the NAS Parallel Benchmarks version 2.2 (NPB2). Our results show that for point to point communication on an unloaded network, the hub and 1 hop routes on the torus have about the same bandwidth and latency. However, the bandwidth decreases and the latency increases on the torus for each additional route hop. Collective communication benchmarks show that the torus provides roughly four times more aggregate bandwidth and eight times faster MPI barrier synchronizations than a hub based network for 16 processor systems. Finally, the SOAPBOX benchmarks, which simulate real-world CFD applications, generally demonstrated substantially better performance on the torus than on the hub. In the few cases the hub was faster, the difference was negligible. In total, our experimental results lead to the conclusion that for Fast Ethernet networks, the torus topology has better performance and scales better than a hub based network.

Pedretti, Kevin T.↗
NASA NTRS1999

Likelihood Analysis for Mega Pixel Maps

The derivation of cosmological parameters from astrophysical data sets routinely involves operations counts which scale as O(N(exp 3) where N is the number of data points. Currently planned missions, including MAP and Planck, will generate sky maps with N(sub d) = 10(exp 6) or more pixels. Simple "brute force" analysis, applied to such mega-pixel data, would require years of computing even on the fastest computers. We describe an algorithm which allows estimation of the likelihood function in the direct pixel basis. The algorithm uses a conjugate gradient approach to evaluate X2 and a geometric approximation to evaluate the determinant. Monte Carlo simulations provide a correction to the determinant, yielding an unbiased estimate of the likelihood surface in an arbitrary region surrounding the likelihood peak. The algorithm requires O(N(sub d)(exp 3/2) operations and O(Nd) storage for each likelihood evaluation, and allows for significant parallel computation.

Kogut, Alan J.↗
NASA NTRS1992

MHD flow past an obstacle - Large-scale flow in the magnetosheath

As a step to the study of the large-scale flow in the magnetosheath, the MHD flow past an obstacle is investigated. A time asymptotic method is used to obtain 3D steady-state solutions. The results indicate the formation of a depletion layer near the obstacle due to the increase of the magnetic field. Along the earth-sun line the plasma density increases first and then decreases from the post bow shock to the magnetopause. The local density maximum in front of the magnetopause may correspond to what was recently observed. When the interplanetary magnetic field direction is tilted from the solar wind flow, the IMF influences the shape of the bow shock as well as the location of the stagnation point at the magnetopause in a way consistent with observation. In addition, the results show the existence of a magnetosheath current in the post parallel-shock region.

Wu, C. C.↗
NASA NTRS1992

A simple modern correctness condition for a space-based high-performance multiprocessor

A number of U.S. national programs, including space-based detection of ballistic missile launches, envisage putting significant computing power into space. Given sufficient progress in low-power VLSI, multichip-module packaging and liquid-cooling technologies, we will see design of high-performance multiprocessors for individual satellites. In very high speed implementations, performance depends critically on tolerating large latencies in interprocessor communication; without latency tolerance, performance is limited by the vastly differing time scales in processor and data-memory modules, including interconnect times. The modern approach to tolerating remote-communication cost in scalable, shared-memory multiprocessors is to use a multithreaded architecture, and alter the semantics of shared memory slightly, at the price of forcing the programmer either to reason about program correctness in a relaxed consistency model or to agree to program in a constrained style. The literature on multiprocessor correctness conditions has become increasingly complex, and sometimes confusing, which may hinder its practical application. We propose a simple modern correctness condition for a high-performance, shared-memory multiprocessor; the correctness condition is based on a simple interface between the multiprocessor architecture and a high-performance, shared-memory multiprocessor; the correctness condition is based on a simple interface between the multiprocessor architecture and the parallel programming system.

Probst, David K.↗
NASA NTRS1997

Physics of Boundaries and their Interactions in Space Plasmas

This report describes the work done by SciberNet, Inc. during the month of August. We have resolved the issues associated with the implementation of the dipole field in our large scale hybrid simulations of the magnetopause. We have setup several runs and will spend the next several months analyzing the data. The results will be presented at the Fall AGU. We are also continuing our analysis of the 3-D simulations of thin current sheets at the magnetopause, paying special attention to the conditions under which Kelvin-Helmholtz would lead to sizable perturbations of the magnetopause. In a related study, we are in the process of developing a new kinetic linear code that would for the first time enable us to examine the linear properties of the Kelvin-Helmholtz instability in the fully kinetic regime. Finally, we are continuing our code development to include inflow-outflow boundary conditions in our 2-D and 3-D hybrid codes. We are also comparing the different methods of code parallelization in order to extend the limits of our calculations.

Omidi, Nojan↗
NASA NTRS2003

TRMM Fire Algorithm, Product and Applications

Land fires are frequent menaces to human lives and property. They also change the state of the vegetation and contribute to the climate forcing by releasing large amount of aerosols and greenhouse gases into the atmosphere. This paper summarizes methodologies of detecting global land fires from the Tropical Rainfall Measuring Mission (TRMM) Visible Infrared Scanner FIRS) measurements. The TRMM Science Data and Information System (TSDIS) fire products include global images of daily hot spots and monthly fire counts at 0.5 deg. x 0.5 deg. resolution, as well as text fiies that details necessary information of all fire pixels. The information includes date, orbit number, pixel number, local time, solar zenith angle, latitude, longitude, reflectance of visible/near infrared channels, brightness temperatures of infrared channels, as well as background brightness temperatures of infrared channels. These products have been archived since January 1998. The TSDIS fire products are compared with the coincidental European Commission (EC) Joint Research Center (JRC) 1 km AVHRR fire products. Analyses of the TSDIS monthly fire products during the period from 1998 to 2003 manifested seasonal cycles of biomass fires over Southeast Asia, Africa, North America and South America. The data also showed interannual variations associated with the 98/99 ENS0 cycle in Central America and the Indonesian region. In order to understand the variability of global land fires and their effects on the distribution of atmospheric aerosols, statistical methods were applied to the TSDIS fire products as well as to the Total Ozone Mapping Spectrometer (TOMS) aerosol index products for a period of five years from January 1998 to December 2002. The variability of global atmospheric aerosol is consistent with the fire variations over these regions during this period. The correlation between fire count and TOMS aerosol index is about 0.55 for fire pixels in Southeast Asia, Indonesia, and Africa. Parallel statistical analyses such as Empirical Orthogonal Function (EOF) analysis and Singular Spectrum Analysis (SSA) methods were applied to pentad TRMM fire data and TOMS aerosol data. The EOF analyses showed contrast between North and South hemispheres and also inter- continental transitions in Africa and America. EOF and SSA analyses also identified 25-60 day intra-seasonal oscillations that were superimposed on the annual cycles of both fire and aerosol data. The intra-seasonal variability of fires showed similarity of tropical rainfall oscillation modes. The TRMM fire products were also compared to the coincident TRMh4 rainfall and other rainfall products to investigate the interaction between rainfall and fire. The results indicate that the annual, interannual and intraseasonal variability of fire are dominated by global rainfall variations. However, the feedback of fire to the rainfall occurrence at regional scale for certain regions is also evident.

Ji, Yi-Min↗
NASA NTRS2008

Split-Block Waveguide Polarization Twist for 220 to 325 GHz

A split-block waveguide circuit that rotates polarization by 90 has been designed with WR-3 input and output waveguides, which are rectangular waveguides used for a nominal frequency range of 220 to 325 GHz. Heretofore, twisted rectangular waveguides equipped with flanges at the input and output have been the standard means of rotating the polarizations of guided microwave signals. However, the fabrication and assembly of such components become difficult at high frequency due to decreasing wavelength, such that twisted rectangular waveguides become impractical at frequencies above a few hundred gigahertz. Conventional twisted rectangular waveguides are also not amenable to integration into highly miniaturized subassemblies of advanced millimeter- and submillimeter-wave detector arrays now undergoing development. In contrast, the present polarization- rotating waveguide can readily be incorporated into complex integrated waveguide circuits such as miniaturized detector arrays fabricated by either conventional end milling of metal blocks or by deep reactive ion etching of silicon blocks. Moreover, the present split-block design can be scaled up in frequency to at least 5 THz. The main step in fabricating a splitblock polarization-rotating waveguide of the present design is to cut channels having special asymmetrically shaped steps into mating upper and lower blocks (see Figure 1). The dimensions of the steps are chosen to be consistent with the WR-3 waveguide cross section, which is 0.864 by 0.432 mm. The channels are characterized by varying widths with constant depths of 0.432, 0.324, and 0.216 mm and by relatively large corner radii to facilitate fabrication. The steps effect both a geometric transition and the corresponding impedance-matched electromagnetic-polarization transition between (1) a WR-3 rectangular waveguide oriented with the electric field vector normal to the block mating surfaces and (2) a corresponding WR-3 waveguide oriented with its electric field vector parallel to the mating surfaces of the blocks. A prototype has been built and tested. Figure 2 presents test results indicative of good performance over nearly the entire WR-3 waveguide frequency band.

Ward, John↗
NASA NTRSDate not supplied

X-Ray Imagery as the Record of All Data of Interest in Hypervelocity Impact Fragment Studies

Laboratory study of hypervelocity spacecraft fragmentation has traditionally involved the collection and analysis of fragments that were caught in deceleration material surrounding the impact. This process has typically involved the disintegration of the catchment material either through chemical dissolution, or through physical excavation to recover the fragments. Due to the scale of the three impact tests—the Satellite Orbital Debris Characterization Impact Test (SOCIT), the DebriSat satellite impact test, and the DebrisLV launch vehicle impact test—the latter two using more than 12 cubic meters of polyurethane foam to capture the fragments, hese projects have used x-ray imagery to precisely locate and thus, to more efficiently extract fragments in the soft-catch material. Three years into the DebriSat fragment extraction process, a side study was initiated to explore what additional information could be discerned from the x-rays, with significant results. This study was instrumental to a rapid replacement and retooling as the project was forced to replace the x-ray system around which the extraction process had been based. The revised process continues to map the debris for extraction. The project has, in parallel, systematically addressed the limits/tolerances of what x-rays can reveal about size, shape, density, mass, velocity, energy, and deformation/damage of the fragment during the deceleration in the catchment material while replicating the original extraction mapping function. All of these features have been optimized or have sufficient understanding to characterize the basic factors that will define a complete data set extracted solely from x-ray imagery. It is an ideal time to develop such a process, with extracted fragments providing “ground truth” against image-only data, and abundant available imagery of the same fragments under both the prior and replacement x-ray technologies, which have several fundamentally different characteristics. This paper addresses the types and quality of hypervelocity fragmentation data that can be and has been extracted from x-rays. It further addresses the question of whether and under what circumstances future hypervelocity experiments can use x-ray methods to largely—or to completely—avoid the extraction process in recording all appropriate results. Lastly, this paper addresses lessons learned and how future efforts can be further optimized.

John B. Bacon↗
NASA NTRS2016

Global Images of Trapped Ring Current Ions During Main Phase of 17 March 2015 Geomagnetic Storm as Observed by TWINS

A unique view of the trapped particles in the inner magnetosphere provided by energetic neutral atom (ENA) imaging is used to observe the dynamics of the spatial structure and the pitch angle anisotropy on a global scale during the last 6 h of the main phase of a large geomagnetic storm (minimum SYM-H 230 nT) that began on 17 March 2015. Ion flux and pressure anisotropy obtained from Two Wide-angle Imaging Neutral-atom Spectrometers (TWINS) ENA images are shown. The ion flux shows two peaks, an inner one at approximately radii 34 RE in the dusk-to-midnight sector and an outer peak at radii 89 RE prior to midnight. The inner peak is relatively stationary during the entire period with some intensification during the final steep decline in SYM-H to its minimum. The outer peak shows the significant temporal variation brightening and dimming and finally disappearing at the end of the main phase. The pressure anisotropy shows the expected perpendicular pitch angles inside of L 6 but shows parallel pitch angles at greater L values. This is interpreted as consistent with pitch angle-dependent drift as modeled in the Tsy05 magnetic field and Comprehensive Inner Magnetosphere-Ionosphere simulations. The TWINS results are compared directly with Radiation Belt Storm Probes Ion Composition Experiment (RBSPICE)-A measurements. Using 15 min snapshots of flux and pressure anisotropy from TWINS along the path of RBSPICE-A during the 6 h focused upon in this study, the essential features displayed in the TWINS global images are supported.

Perez, J. D.↗
NASA NTRSDate not supplied

FUN3D Analyses in Support of the 1st AIAA Stability and Control Prediction Workshop

The 1st AIAA Stability and Control Prediction Workshop was created to establish best practices for the prediction of stability & control derivatives using computational fluid dynamics and assess the limitations of these computational methods when those best practices are applied. The inaugural workshop considers the ONERA version of the NASA/Boeing Common Research Model(CRM), which includes the wing, body, horizontal tail, and a vertical tail designed by ONERA. Wind tunnel tests have been conducted for this configuration with longitudinal tests having been previously published, in addition to unpublished data at small sideslip angles that will serve as ‘blind’ data for workshop data comparisons. Participants were provided a ‘family’ of unstructured grids for the full-span ONERA CRM model with the wind-tunnel sting included. This family of mixed-element grids consists of 5 levels of refinement (tiny, coarse, medium, fine, and extra fine) with surface and volume mesh scaling, resulting in a size range of 14.6 to 53.4 million nodes. In addition, a medium refinement mesh has been provided for the ONERA CRM configuration without a sting to evaluate the sting’s impact on static longitudinal stability characteristics. In addition to these workshop-provided grids, the present work also considers an equivalent ‘family’ of computational grids generated using Heldenmesh™, a rapid grid generation software by Helden Aerospace Corporation for creating high-quality, three-dimensional, mixed-element unstructured meshes. Because of the authors’ familiarity with this software, these additional grids were generated as a comparison to the workshop-provided grids and to better understand the implications of using volume-mirrored grids for stability and control predictions. The present work will contribute to the workshop with test case data generated using the NASA FUN3D code, a parallelized, unstructured, node-based, finite-volume discretization, Reynolds-averaged Navier-Stokes flow solver. Numerical simulations will be conducted using the Quadratic Constitutive Relationship (QCR) version of the Spalart-Allmaras (SA) turbulence model with negative turbulence variable provisions. Both steady and2nd-order, time-accurate simulation results are to be generated and compared for select test cases, as time permits, to investigate their impact on FUN3D predictions. The present work will consider the three primary workshop test cases: (1) grid convergence study, (2) Mach number effect on static stability, and (3) wind tunnel sting increments. Additionally, data will be provided for the two optional test cases, which include:(1) static stability derivative calculations and (2)sideslip angle sweeps. In each of the test cases, the vehicle is stationary, and the body is assumed to be rigid, where vehicle deformation has been accounted for in the model configuration geometry. For all test cases, longitudinal and lateral force and moment aerodynamic coefficients will be provided for the total configuration, in addition to a component-level breakdown that includes the port wing, starboard wing, fuselage, and tail.

CFD↗
NASA NTRS1996

The Evolution of Finite Amplitude Wavetrains in Plane Channel Flow

We consider a viscous incompressible fluid flow driven between two parallel plates by a constant pressure gradient. The flow is at a finite Reynolds number, with an 0(l) disturbance in the form of a traveling wave. A phase equation approach is used to discuss the evolution of slowly varying fully nonlinear two dimensional wavetrains. We consider uniform wavetrains in detail, showing that the development of a wavenumber perturbation is governed by Burgers equation in most cases. The wavenumber perturbation theory, constructed using the phase equation approach for a uniform wavetrain, is shown to be distinct from an amplitude perturbation expansion about the periodic flow. In fact we show that the amplitude equation contains only linear terms and is simply the heat equation. We review, briefly, the well known dynamics of Burgers equation, which imply that both shock structures and finite time singularities of the wavenumber perturbation can occur with respect to the slow scales. Numerical computations have been performed to identify areas of the (wavenumber, Reynolds number, energy) neutral surface for which each of these possibilities can occur. We note that the evolution equations will breakdown under certain circumstances, in particular for a weakly nonlinear secondary flow. Finally we extend the theory to three dimensions and discuss the limit of a weak spanwise dependence for uniform wavetrains, showing that two functions are required to describe the evolution. These unknowns are a phase and a pressure function which satisfy a pair of linearly coupled partial differential equations. The results obtained from applying the same analysis to the fully three dimensional problem are included as an appendix.

Hewitt, R. E.↗
NASA NTRSDate not supplied

3D Material Response of the MSL Heatshield Using NuSil-Coated PICA

The Mars Science Laboratory (MSL) was protected during its atmospheric entry by an instrumented heatshield that used NASA's Phenolic Impregnated Carbon Ablator (PICA) material [1]. PICA is a lightweight carbon fiber/polymeric resin material that offers outstanding performance for protecting probes during planetary entry. Data from the Mars Entry Descent and Landing Instrument (MEDLI) suite on MSL offers unique in-flight validation data for models of material response and atmospheric entry. MEDLI recorded, among other things, time-resolved in-depth temperature data of PICA using thermocouple sensors assembled in the MEDLI Integrated Sensor Plugs (MISP) [2]. A space-grade silicone-based coating commercially known as NuSil CV-1144-0 [3] was applied to the entire MSL heatshield, including the MEDLI plugs, to mitigate the spread of dust from PICA. Modeling the thermal response of PICA-NuSil (PICA-N) system is still an open challenge. Ground testing of PICA-N models exhibited surface temperature jumps of the order of 150 K due to oxide scale formation and sub-sequent NuSil burn-off. It is therefore critical to include a validated model for the material response of the coating in engineering codes. A test campaign has been conducted at the NASA’s Langley HyMETS [4] facility to screen the response of PICA-N and gather detailed data on its behavior [5]. A first model of PICA-N thermal response has been developed using the Hy-METS experiments [6]. The objective of this work is to analyze the material response of the latest PICA-N model compared to the engineering model used to simulate the entry of MSL. The environment and material response around the MSL aeroshell during Mars atmospheric entry is simulated using a collection of tools. The Direct Simulation Monte Carlo SPARTA code [7] is used in the rarefied regime, the Data Parallel Line Relaxation (DPLR) code [8] is used in the continuum regime and radiative heating conditions are provided by the Nonequilibrium air radiation (NEQAIR) code [9] to estimate the environmental conditions. The thermal response inside the material is computed using the Porous material Analysis Toolbox based on Open-FOAM (PATO) [10,11,12]. Thermodynamic and chemistry properties are estimated using the Mutation++ library [13]. The approach implemented in PATO as a first cut PICA-N thermal response model is outlined in Figure 1. While the recession is less than the coating thickness, the Surface mass and energy balance Boundary Condition (SBC) uses the NuSil B’ tables. Once the recession removes the coating, the usual PICA B’ tables are used for the SBC. The B’ tables are computed using an equilibrium solver implemented in Mutation++, given the temperature, pressure, blowing rate, composition of the pyrolysis and environment gases, and the condensed species at the surface. Preliminary results of the 3D material response of the MSL heat-shield at the peak heating (80 sec after Entry Interface) are shown in Figure 2. Current NASA’s mission to Mars, Mars 2020, used the spare heatshield of MSL for thermal protection during entry, descent, and landing. In preparation for Mars 2020 post-flight analysis, the PATO high-fidelity material response capability was benchmarked against flight data from MEDLI. This effort represents an important milestone toward the development of validated predictive capabilities for designing thermal protection systems for planetary probes. This bench-marking is awaiting the final release of the MEDLI-2 data.

Aerospace↗
NASA NTRS1992

Developing a control system for ARES 2

A great deal of analysis and testing is conducted at the NASA Langley Research Center to support the development of safe and reliable helicopter rotor systems. This work is performed by the Rotorcraft Aeroelasticity Group located in the Transonic Dynamics Tunnel (TDT) facility. Over the past two decades a wide variety of tests have been successfully conducted in the TDT and their results have contributed significantly to the understanding of aeromechanical phenomena in rotor systems. This has led to improved tools for analysis and design, and ultimately to the development, of improved rotor systems. The TDT facility is ideally suited for these tests due to its unique ability to use a heavy gas as a working medium. This allows the model to be scaled such that the results obtained may be readily extrapolated to full scale. Until recently, the rotor system to be tested has been mounted on a fixed balance which is attached to the longeron which is attached to the stand through a single pitching degree of freedom. The testbed used is known as the Aeroelastic Rotor Experimental System (ARES 1). In order to extend the experimental capabilities to investigate the full rotor/body dynamic coupling present in a rotorcraft, a very ambitious project has been undertaken to design and construct a six degree of freedom system that can be controlled so as to emulate the inertial characteristics of a prescribed model fuselage. The electronic and mechanical hardware for this system has already been designed and constructed. This system is known ar ARES II. The rotor and its drive system are mounted on the balance which is attached to the longeron via six hydraulic actuators. This six degree of freedom parallel linkage is referred to in the literature as a Stuart Platform. By properly adjusting the length of the hydraulic actuators it is possible to position and orient the balance relative to the longeron. The longeron is attached to the stand via a pitch degree of freedom to allow testing over various forward flight regimes. One major task remaining to complete this testbed is the design and synthesis of a control system. To do this properly requires an understanding of the kinematics and dynamics of the system and robust control design. A brief description of the development of a control design is given.

Fitzsimons, Philip M.↗
NASA NTRS2018

Digital Technologies at NASA for Science and Engineering

While scientific and engineering advancements used to rely primarily on theoretical studies and physical experiments, today digital technology enabled by petaflops-scale supercomputers is an equal, if not a greater, contributor to such achievements. In addition, computational modeling and simulation serves as a predictive tool that is not otherwise available. As a result, the use of high performance computing is integral to NASA's work in all mission areas such as space exploration, aeronautics, and scientific discovery. But traditional supercomputing alone is not sufficient for all of the space agency's needs. The success of many NASA missions depends on solving complex computing challenges, some of which are NP-hard (decision theory) if using classical solution methods. Quantum computing promises an unprecedented ability to solve such intractable problems by harnessing quantum mechanical effects such as tunneling, superposition, and entanglement. Another disruptive digital technology is neuromorphic computing that uses brain-inspired lessons to generate new architectures that are much more energy efficient, and capable of massive parallel processing and learning in-situ. Finally, with large amounts of observational and computational data sets, the opportunities of big data and data analytics can be leveraged to enable deep learning and knowledge discovery - it's all a massive digital transformation. This talk will be an overview how NASA utilizes digital technologies for its science and engineering efforts.

Biswas, Rupak↗
NASA NTRS2023

Interpretation of Flat Energy Spectra Upstream of Fast Interplanetary Shocks

Interplanetary shocks are large-scale heliospheric structures often caused by eruptive phenomena at the Sun, and represent one of the main sources of energetic particles. Several interplanetary (IP) shock crossings by spacecraft at 1 au have revealed enhanced energetic-ion fluxes that extend far upstream of the shock. Surprisingly, in some shock events ion fluxes with energies between 100 keV and about 2 MeV acquire similar values (which we refer to as "overlapped" fluxes), corresponding to flat energy spectra in that range. In contrast, closer to the shock the fluxes are observed to depend on energy. In this work, we analyze three IP-shock-related energetic particle events observed by the Advanced Composition Explorer spacecraft where flat ion energy spectra were observed upstream of the shock. We interpret these observations via a velocity-filter mechanism for particles in a given energy range. In particular, ions with velocity parallel to the local magnetic field larger than the speed of the upstream plasma, in the reference frame of the shock, can easily propagate back upstream, while lower-energy ions tend to be confined to the shock front, thus reducing their fluxes far upstream and giving rise to flat energy spectra. The velocity-filter mechanism has been corroborated from observations of particle flux anisotropy by the Solid-State Telescope of Wind/3DP.

Shock waves↗
NASA NTRS1989

Computational simulation of transition to turbulence through inverse modeling

The present investigation has focused on a computational methodology for the fundamental case of transition in channel flow, in which recently published experimental data are utilized both as a stimulus and as a measure of merit of the method. The research has proceeded along three avenues in parallel. The first task has consisted of the development and verification of a computer code which calculates the mean evolution of flow in a channel similar to the one employed experimentally by Blair and Anderson. An analytical test case was created for the dual purposes of code verification and of highlighting the interactions between the Reynolds stress and the mean velocity profile. This test case generated a Reynolds stress by the residue in the momentum equation which is produced by a typical analytical velocity profile. By a substitution of this Reynolds stress into the appropriate code module, the correctness of the code may be verified, along with the accuracy of the computational method. The second task pursued has involved the development of a triple layer model for the Reynolds stress profile, which was suggested and derived from experimental velocity profiles. It is demonstrated that the innermost length scale is based on the local friction velocity, the intermediate layer corresponds to the usual logarithmic law of the wall region in which the normalized Reynolds stress is approximately unity, and the outermost layer is represented by a closed mathematical form depending explicitly on the velocity profile in the wake region. The third task was comprised of scrutiny of the excellent databases developed by Blair and others, and the planning of its incorporation into the transition analysis. These extensive measurements indicate that turbulent statistics in the transition regime may be considered to alternate between laminar and fully turbulent types, the proportions of which are quantified by a measured intermittency function.

Sepri, Paavo↗
NASA NTRS2001

Better, Cheaper, Faster Molecular Dynamics

Recent, revolutionary progress in genomics and structural, molecular and cellular biology has created new opportunities for molecular-level computer simulations of biological systems by providing vast amounts of data that require interpretation. These opportunities are further enhanced by the increasing availability of massively parallel computers. For many problems, the method of choice is classical molecular dynamics (iterative solving of Newton's equations of motion). It focuses on two main objectives. One is to calculate the relative stability of different states of the system. A typical problem that has' such an objective is computer-aided drug design. Another common objective is to describe evolution of the system towards a low energy (possibly the global minimum energy), "native" state. Perhaps the best example of such a problem is protein folding. Both types of problems share the same difficulty. Often, different states of the system are separated by high energy barriers, which implies that transitions between these states are rare events. This, in turn, can greatly impede exploration of phase space. In some instances this can lead to "quasi non-ergodicity", whereby a part of phase space is inaccessible on time scales of the simulation. To overcome this difficulty and to extend molecular dynamics to "biological" time scales (millisecond or longer) new physical formulations and new algorithmic developments are required. To be efficient they should account for natural limitations of multi-processor computer architecture. I will present work along these lines done in my group. In particular, I will focus on a new approach to calculating the free energies (stability) of different states and to overcoming "the curse of rare events". I will also discuss algorithmic improvements to multiple time step methods and to the treatment of slowly decaying, log-ranged, electrostatic effects.

Pohorille, Andrew↗