Pseudopotentials, the sizes of atoms and their s-p splittings.
Free-atomic pseudopotentials, sizes, s-p splittings and pseudowave functions
ENERGY LEVEL↗
SEARCH · Engineering Papers
Results for “structure function”
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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The foundations of beam theory
Airys stress function analysis of supported beam bending under load
STRUCTURAL BEAM↗
Linear Scaling Density Functional Calculations with Gaussian Orbitals
Recent advances in linear scaling algorithms that circumvent the computational bottlenecks of large-scale electronic structure simulations make it possible to carry out density functional calculations with Gaussian orbitals on molecules containing more than 1000 atoms and 15000 basis functions using current workstations and personal computers. This paper discusses the recent theoretical developments that have led to these advances and demonstrates in a series of benchmark calculations the present capabilities of state-of-the-art computational quantum chemistry programs for the prediction of molecular structure and properties.
Scuseria, Gustavo E.↗
SEPAC flight software detailed design specifications, volume 1
The detailed design specifications (as built) for the SEPAC Flight Software are defined. The design includes a description of the total software system and of each individual module within the system. The design specifications describe the decomposition of the software system into its major components. The system structure is expressed in the following forms: the control-flow hierarchy of the system, the data-flow structure of the system, the task hierarchy, the memory structure, and the software to hardware configuration mapping. The component design description includes details on the following elements: register conventions, module (subroutines) invocaton, module functions, interrupt servicing, data definitions, and database structure.
Source record↗
Payload installation and deployment aid for space shuttle orbiter spacecraft remote manipulator system
An aid concept known as the PIDA (Payload Installation and Deployment Aid) is presented as a way to assist the Remote Manipulator System (RMS) by relaxing the accuracy required during payload handling in the payload bay. The aid concept was designed and developed to move payloads through a prescribed path between the confined quarters of the payload bay and a position outside the critical maneuvering area of the Orbiter. An androgynous docking mechanism is used at the payload/PIDA interfaces for normal docking functions that also serves as the structural connection between the payload and the Orbiter, that is capable of being loosened to prevent transfer of loads between a stowed payload and the PIDA structure. A gearmotor driven drum/cable system is used in the docking mechanism in a unique manner to center the attenuator assembly, align the ring and guide assembly (docking interface) in roll, pitch, and yaw, and rigidize the mechanism at a nominal position. A description of the design requirements and the modes of operation of the various functions of the deployment and the docking mechanisms are covered.
Ross, T. O.↗
Prediction of Material Properties of Nanostructured Polymer Composites Using Atomistic Simulations
Atomistic models of epoxy polymers were built in order to assess the effect of structure at the nanometer scale on the resulting bulk properties such as elastic modulus and thermal conductivity. Atomistic models of both bulk polymer and carbon nanotube polymer composites were built. For the bulk models, the effect of moisture content and temperature on the resulting elastic constants was calculated. A relatively consistent decrease in modulus was seen with increasing temperature. The dependence of modulus on moisture content was less consistent. This behavior was seen for two different epoxy systems, one containing a difunctional epoxy molecule and the other a tetrafunctional epoxy molecule. Both epoxy structures were crosslinked with diamine curing agents. Multifunctional properties were calculated with the nanocomposite models. Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between the carbon nanotube and the surrounding epoxy matrix. These estimated values were used in a multiscale model in order to predict the thermal conductivity of a nanocomposite as a function of the nanometer scaled molecular structure.
Hinkley, J.A.↗
Small Al clusters. II - Structure and binding in Al(n) (n = 2-6, 13)
The structure and stability of aluminum clusters containing up to six atoms have been studied using correlated wave functions and extended basis sets. The lowest energy structure is planar for Al4 and Al5, but three dimensional for Al6. The icosahedral, hcp, fcc, and two planar structures of Al13 were considered at the SCF level. The lowest energy structure is the icosahedron, but the planar structures are fairly low lying even in this case. A simplified description using two- and three-body interaction potentials is found to agree well with the ab initio structures and binding energies.
Pettersson, Lars G. M.↗
Reaction Wheel Disturbance Model Extraction Software - RWDMES
The RWDMES is a tool for modeling the disturbances imparted on spacecraft by spinning reaction wheels. Reaction wheels are usually the largest disturbance source on a precision pointing spacecraft, and can be the dominating source of pointing error. Accurate knowledge of the disturbance environment is critical to accurate prediction of the pointing performance. In the past, it has been difficult to extract an accurate wheel disturbance model since the forcing mechanisms are difficult to model physically, and the forcing amplitudes are filtered by the dynamics of the reaction wheel. RWDMES captures the wheel-induced disturbances using a hybrid physical/empirical model that is extracted directly from measured forcing data. The empirical models capture the tonal forces that occur at harmonics of the spin rate, and the broadband forces that arise from random effects. The empirical forcing functions are filtered by a physical model of the wheel structure that includes spin-rate-dependent moments (gyroscopic terms). The resulting hybrid model creates a highly accurate prediction of wheel-induced forces. It accounts for variation in disturbance frequency, as well as the shifts in structural amplification by the whirl modes, as the spin rate changes. This software provides a point-and-click environment for producing accurate models with minimal user effort. Where conventional approaches may take weeks to produce a model of variable quality, RWDMES can create a demonstrably high accuracy model in two hours. The software consists of a graphical user interface (GUI) that enables the user to specify all analysis parameters, to evaluate analysis results and to iteratively refine the model. Underlying algorithms automatically extract disturbance harmonics, initialize and tune harmonic models, and initialize and tune broadband noise models. The component steps are described in the RWDMES user s guide and include: converting time domain data to waterfall PSDs (power spectral densities); converting PSDs to order analysis data; extracting harmonics; initializing and simultaneously tuning a harmonic model and a wheel structural model; initializing and tuning a broadband model; and verifying the harmonic/broadband/structural model against the measurement data. Functional operation is through a MATLAB GUI that loads test data, performs the various analyses, plots evaluation data for assessment and refinement of analysis parameters, and exports the data to documentation or downstream analysis code. The harmonic models are defined as specified functions of frequency, typically speed-squared. The reaction wheel structural model is realized as mass, damping, and stiffness matrices (typically from a finite element analysis package) with the addition of a gyroscopic forcing matrix. The broadband noise model is realized as a set of speed-dependent filters. The tuning of the combined model is performed using nonlinear least squares techniques. RWDMES is implemented as a MATLAB toolbox comprising the Fit Manager for performing the model extraction, Data Manager for managing input data and output models, the Gyro Manager for modifying wheel structural models, and the Harmonic Editor for evaluating and tuning harmonic models. This software was validated using data from Goodrich E wheels, and from GSFC Lunar Reconnaissance Orbiter (LRO) wheels. The validation testing proved that RWDMES has the capability to extract accurate disturbance models from flight reaction wheels with minimal user effort.
Blaurock, Carl↗
Peak structural response to nonstationary random excitations
Study establishes distribution function of peak response values, based on frequency interpretation. Excitations considered include impact loading on landing gears and aircraft gust loading. Because of relative severity of excitations, prediction of fatigue and maximum response characteristics is important part of task of structural analysis and design.
Shinozuka, M.↗
Estimation of payload loads using rigid body interface accelerations
In the design/analysis process of a payload structural system, the accelerations at the payload/launch vehicle interface obtained from a system analysis using a rigid payload are often used as the input forcing function to the elastic payload to obtain structural design loads. Such an analysis is at best an approximation since the elastic coupling effects are neglected. This paper develops a method wherein the launch vehicle/rigid payload interface accelerations are modified to account for the payload elasticity. The advantage of the proposed method, which is exact to the extent that the physical system can be described by a truncated set of generalized coordinates, is that the complete design/analysis process can be performed within the organization responsible for the payload design. The method requires the updating of the system normal modes to account for payload changes, but does not require a complete transient solution using the composite system model. An application to a real complex structure, the Viking Spacecraft System, is given.
Chen, J. C.↗
Uncertainty and Intelligence in Computational Stochastic Mechanics
Classical structural reliability assessment techniques are based on precise and crisp (sharp) definitions of failure and non-failure (survival) of a structure in meeting a set of strength, function and serviceability criteria. These definitions are provided in the form of performance functions and limit state equations. Thus, the criteria provide a dichotomous definition of what real physical situations represent, in the form of abrupt change from structural survival to failure. However, based on observing the failure and survival of real structures according to the serviceability and strength criteria, the transition from a survival state to a failure state and from serviceability criteria to strength criteria are continuous and gradual rather than crisp and abrupt. That is, an entire spectrum of damage or failure levels (grades) is observed during the transition to total collapse. In the process, serviceability criteria are gradually violated with monotonically increasing level of violation, and progressively lead into the strength criteria violation. Classical structural reliability methods correctly and adequately include the ambiguity sources of uncertainty (physical randomness, statistical and modeling uncertainty) by varying amounts. However, they are unable to adequately incorporate the presence of a damage spectrum, and do not consider in their mathematical framework any sources of uncertainty of the vagueness type. Vagueness can be attributed to sources of fuzziness, unclearness, indistinctiveness, sharplessness and grayness; whereas ambiguity can be attributed to nonspecificity, one-to-many relations, variety, generality, diversity and divergence. Using the nomenclature of structural reliability, vagueness and ambiguity can be accounted for in the form of realistic delineation of structural damage based on subjective judgment of engineers. For situations that require decisions under uncertainty with cost/benefit objectives, the risk of failure should depend on the underlying level of damage and the uncertainties associated with its definition. A mathematical model for structural reliability assessment that includes both ambiguity and vagueness types of uncertainty was suggested to result in the likelihood of failure over a damage spectrum. The resulting structural reliability estimates properly represent the continuous transition from serviceability to strength limit states over the ultimate time exposure of the structure. In this section, a structural reliability assessment method based on a fuzzy definition of failure is suggested to meet these practical needs. A failure definition can be developed to indicate the relationship between failure level and structural response. In this fuzzy model, a subjective index is introduced to represent all levels of damage (or failure). This index can be interpreted as either a measure of failure level or a measure of a degree of belief in the occurrence of some performance condition (e.g., failure). The index allows expressing the transition state between complete survival and complete failure for some structural response based on subjective evaluation and judgment.
Ayyub, Bilal M.↗
Truss topology optimization with simultaneous analysis and design
Strategies for topology optimization of trusses for minimum weight subject to stress and displacement constraints by Simultaneous Analysis and Design (SAND) are considered. The ground structure approach is used. A penalty function formulation of SAND is compared with an augmented Lagrangian formulation. The efficiency of SAND in handling combinations of general constraints is tested. A strategy for obtaining an optimal topology by minimizing the compliance of the truss is compared with a direct weight minimization solution to satisfy stress and displacement constraints. It is shown that for some problems, starting from the ground structure and using SAND is better than starting from a minimum compliance topology design and optimizing only the cross sections for minimum weight under stress and displacement constraints. A member elimination strategy to save CPU time is discussed.
Sankaranarayanan, S.↗
Robustness properties of LQG optimized compensators for collocated rate sensors
In this paper we study the robustness with respect to stability of the closed-loop system with collocated rate sensor using LQG (mean square rate) optimized compensators. Our main result is that the transmission zeros of the compensator are precisely the structure modes when the actuator/sensor locations are 'pinned' and/or 'clamped': i.e., motion in the direction sensed is not allowed. We have stability even under parameter mismatch, except in the unlikely situation where such a mode frequency of the assumed system coincides with an undamped mode frequency of the real system and the corresponding mode shape is an eigenvector of the compensator transfer function matrix at that frequency. For a truncated modal model - such as that of the NASA LaRC Phase Zero Evolutionary model - the transmission zeros of the corresponding compensator transfer function can be interpreted as the structure modes when motion in the directions sensed is prohibited.
Balakrishnan, A. V.↗
Radiation and scattering by cavity-backed antennas on a circular cylinder
Conformal arrays are popular antennas for aircraft and missile platforms due to their inherent low weight and drag properties. However, to date there has been a dearth of rigorous analytical or numerical solutions to aid the designer. In fact, it has been common practice to use limited measurements and planar approximations in designing such non-planar antennas. The finite element-boundary integral method is extended to scattering and radiation by cavity-backed structures in an infinite, metallic cylinder. In particular, the formulation specifics such as weight functions, dyadic Green's function, implementation details, and particular difficulties inherent to cylindrical structures are discussed. Special care is taken to ensure that the resulting computer program has low memory demand and minimal computational requirements. Both scattering and radiation parameters are computed and validated as much as possible.
Kempel, Leo C.↗
Scattering by cavity-backed antennas on a circular cylinder
Conformal arrays are popular antennas for aircraft, spacecraft, and land vehicle platforms due to their inherent low weight and drag properties. However, to date there has been a dearth of rigorous analytical or numerical solutions to aid the designer. In fact, it has been common practice to use limited measurements and planar approximations in designing such non-planar antennas. The finite element-boundary integral method is extended to scattering by cavity-backed structures in an infinite, metallic cylinder. In particular, the formulation specifics such as weight functions, dyadic Green's function, implementation details and particular difficulties inherent to cylindrical structures are discussed. Special care is taken to ensure that the resulting computer program has low memory demand and minimal computational requirements. Scattering results are presented and validated as much as possible.
Kempel, Leo C.↗
Step 1: Human System Interface (HSI) Functional Requirements Document (FRD). Version 2
This Functional Requirements Document (FRD) establishes a minimum set of Human System Interface (HSI) functional requirements to achieve the Access 5 Vision of "operating High Altitude, Long Endurance (HALE) Unmanned Aircraft Systems (UAS) routinely, safely, and reliably in the National Airspace System (NAS)". Basically, it provides what functions are necessary to fly UAS in the NAS. The framework used to identify the appropriate functions was the "Aviate, Navigate, Communicate, and Avoid Hazards" structure identified in the Access 5 FRD. As a result, fifteen high-level functional requirements were developed. In addition, several of them have been decomposed into low-level functional requirements to provide more detail.
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STS-110 Flight Day 6 Highlights
On the sixth day of the STS-110 mission, Mission Specialists Jerry Ross and Lee Morin are seen in the second extravehicular activity (EVA) of this mission to the International Space Station (ISS). The video opens with the two astronauts preparing for the EVA, which will be Ross' eighth, thereby making him the most experienced space-walker in history. This pair of astronauts has been dubbed the Silver Team, largely because they both have grandchildren. As Ross and Morin prepare for the EVA by breathing pure oxygen and experiencing reduced pressure, Mission Specialist Ellen Ochoa maneuvers the robotic arm towards the hatch of the Space Shuttle Atlantis. There is video footage of the astronauts exiting the hatch and preparing their tools and work areas. During this EVA the astronauts will install two tripod-like struts, which will serve as structural attachments between the S-0 truss segment and the Destiny Laboratory Module. While the construction takes place, helmet mounted cameras on the spacesuits provide live video of the astronauts at work, most often using a pistol grip tool used as an electric ratcheting-type drill to loosen and tighten bolts. Following the installation of the struts, Ross and Morin remove the draglinks and keelpins that had functioned to hold the S0 truss structure securely in Atlantis' payload bay during the launch sequence of the mission. They move these to temporary storage positions, bolted on the outside of the ISS. They then install an umbilical system that will provide power to the Mobile Transporter (MT).
Source record↗
Active impedance matching of complex structural systems
Viewgraphs on active impedance matching of complex structural systems are presented. Topics covered include: traveling wave model; dereverberated mobility model; computation of dereverberated mobility; control problem: optimal impedance matching; H2 optimal solution; statistical energy analysis (SEA) solution; experimental transfer functions; interferometer actuator and sensor locations; active strut configurations; power dual variables; dereverberation of complex structure; dereverberated transfer function; compensators; and relative power flow.
Macmartin, Douglas G.↗