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At least 199 records · Page 11

Proteome-scale Deployment of Protein Structure Prediction Workflows on the Summit Supercomputer

Deep learning has contributed to major advances in the prediction of protein structure from sequence, a fundamental problem in structural bioinformatics. With predictions now approaching the accuracy of crystallographic experiments, and with accelerators like GPUs and TPUs making inference using large models rapid, genome-level structure prediction becomes an obvious aim. Leadership-class computing resources can be used to perform genome-scale protein structure prediction using state-of-the-art deep learning models, providing a wealth of new data for systems biology applications. Here we describe our efforts to efficiently deploy the AlphaFold v.2 program, for full-proteome structure prediction, at scale on the Oak Ridge Leadership Computing Facility's resources, including the Summit supercomputer. We performed inference to produce the predicted structures for 40,526 protein sequences, corresponding to four prokaryotic proteomes and one plant proteome, using under 4,400 total Summit node hours, equivalent to using the majority of the supercomputer for a little over one hour. We also designed an optimized structure refinement that reduced the time for the relaxation stage of the AlphaFold pipeline by over 10X for longer sequences. We demonstrate the types of analyses that can be performed on proteome-scale collections of sequences, including a search for novel quaternary structures and implications for functional annotation.

Gao, Mu↗

Mechanics of intraply hybrid composites - Properties, analysis and design

A mechanics theory is developed for predicting the physical thermal, hygral and mechanical properties (including various strengths) of unidirectional intraply hybrid composites (UIHC) based on unidirectional properties of the constituent composites. Procedures are described which can use this theory in conjunction with composite mechanics computer codes and general purpose structural analysis finite element programs for the analysis/design of structural components made from intraply hybrid angleplied laminates (IHAL). Comparisons with limited data show that this theory predicts mechanical properties of UIHC and flexural stiffnesses of IHAL which are in good agreement with experimental data. The theory developed herein makes it possible to design and optimize structural components from IHAL based on a large class of available constituent fibers.

Chamis, C. C.↗

Optimization of an Advanced Hybrid Wing Body Concept Using HCDstruct Version 1.2

Hybrid Wing Body (HWB) aircraft concepts continue to be promising candidates for achieving the simultaneous fuel consumption and noise reduction goals set forth by NASA's Environmentally Responsible Aviation (ERA) project. In order to evaluate the projected benefits, improvements in structural analysis at the conceptual design level were necessary; thus, NASA researchers developed the Hybrid wing body Conceptual Design and structural optimization (HCDstruct) tool to perform aeroservoelastic structural optimizations of advanced HWB concepts. In this paper, the authors present substantial updates to the HCDstruct tool and related analysis, including: the addition of four inboard and eight outboard control surfaces and two all-movable tail/rudder assemblies, providing a full aeroservoelastic analysis capability; the implementation of asymmetric load cases for structural sizing applications; and a methodology for minimizing control surface actuation power using NASTRAN SOL 200 and HCDstruct's aeroservoelastic finite-element model (FEM).

Quinlan, Jesse R.↗

A multidisciplinary approach to optimization of controlled space structures

A fundamental problem facing controls-structures analysts is a means of determining the trade-offs between structural design parameters and control design parameters in meeting some particular performance criteria. Developing a general optimization-based design methodology integrating the disciplines of structural dynamics and controls is a logical approach. The objective of this study is to develop such a method. Classical design methodology involves three phases. The first is structural optimization, wherein structural member sizes are varied to minimize structural mass, subject to open-loop frequency constraints. The next phase integrates control and structure design with control gains as additional design variables. The final phase is analysis of the 'optimal' integrated design phase considering 'real' actuators and 'standard' member sizes. The control gains could be further optimized for fixed structure, and actuator saturation constraints could be imposed. However, such an approach does not take full advantage of opportunities to tailor the structure and control system design as one system.

Woodard, Stanley E.↗

Design of a Solar Sail Mission to Mars

A new area of interest in space vehicles is the solar sail. Various applications for which it has been considered are attitude control of satellites, focusing light on the jungles of Vietnam, and a Halley's comet rendezvous. Although for various reasons these projects were never completed, new interest in solar sails has arisen. The solar sail is an alternative to the rocket-propelled space vehicle as an interplanetary cargo vehicle, and manufacture of solar sails on the space station is a possibility. Solar sails have several advantages over rockets, including an unlimited power supply and low maintenance. The purpose of this project is to design a solar sail mission to Mars. The spacecraft will efficiently journey to Mars powered only by a solar sail. The vehicle weighs 487.16 kg and will be launchable on an expendable launch vehicle. The project includes an investigation of options to minimize cost, weight, and flight duration. The design of the sail and its deployment system are a major part of the project, as is the actual mission planning. Various topics researched include solar power, material, space environment, thermal control, trajectories, and orbit transfer. Various configurations are considered in order to determine the optimal structure. Another design consideration is the control system of the vehicle. This system includes the attitude control and the communication system of the sail. This project will aid in determining the feasibility of a solar sail and will raise public interest in space research.

Feaux, K.↗

Accounting for Proof Test Data in a Reliability Based Design Optimization Framework

This paper investigates the use of proof (or acceptance) test data during the reliability based design optimization of structural components. It is assumed that every component will be proof tested and that the component will only enter into service if it passes the proof test. The goal is to reduce the component weight, while maintaining high reliability, by exploiting the proof test results during the design process. The proposed procedure results in the simultaneous design of the structural component and the proof test itself and provides the designer with direct control over the probability of failing the proof test. The procedure is illustrated using two analytical example problems and the results indicate that significant weight savings are possible when exploiting the proof test results during the design process.

Ventor, Gerharad↗

Disjoint design spaces in the optimization of harmonically excited structures

The paper deals with a method of optimizing harmonically or dynamically excited structures which removes the frequency constraint (that specifies that the structure's first natural frequency of vibration must be greater than the excitation frequency), replaces the displacement constraint by an inequality constraint on the allowable stress and applies finite element approximations to the continuous one-dimensional structures. When the problem is posed in this manner, the feasible design space is disconnected or 'disjoint'. An attempt is made to explain this disjointness by studying the optimal design of a thin-walled cantilevered rod subjected to steady, simple harmonic torsional excitation. The finite element method is applied to the optimization of a harmonically excited structure with an arbitrary number of design variables, with the disjointness of the design space, a complicating factor.

Johnson, E. H.↗

A Case Study on the Application of a Structured Experimental Method for Optimal Parameter Design of a Complex Control System

This report documents a case study on the application of Reliability Engineering techniques to achieve an optimal balance between performance and robustness by tuning the functional parameters of a complex non-linear control system. For complex systems with intricate and non-linear patterns of interaction between system components, analytical derivation of a mathematical model of system performance and robustness in terms of functional parameters may not be feasible or cost-effective. The demonstrated approach is simple, structured, effective, repeatable, and cost and time efficient. This general approach is suitable for a wide range of systems.

Torres-Pomales, Wilfredo↗

Program For Optimization Of Antenna Structures

JPL-ANTOPT computer program designed to help engineers optimize microwave antenna structures by use of path-length- and pointing-error-analysis calculations. Program is package of codes and subroutines added to MSC/NASTRAN program. Written in MSC/NASTRAN's(TM) Direct Matrix Abstraction Programming (DMAP) language.

Strain, Douglas↗

Design and Analysis of Shape Memory Spring Tires for Martian and Lunar Rover Vehicles

Shape memory alloys (SMAs) have played an important role in various innovative engineering and medical applications, such as aerospace actuators, vibration damping devices, and coronary stents. In applications, shape memory alloys are commonly utilized in two fundamentally different ways: (i) making use of the superelasticity/ pseudoelasticity (SE/PE) phenomena, as in applications in biomedical engineering, and (ii) taking advantages of the shape memory effect (SME), as is used for actuators. Their ability to act in such vastly different capacities is mainly due to their unique capability to recover large amounts of deformation produced by either applied stresses or temperature changes. One recent emerging application in use of SMAs has been in the area of non-pneumatic tire designs for Martian or Lunar roving vehicles. These vehicles require tires that are capable of traversing rugged terrain while withstanding extreme temperatures and atmospheric conditions. Inspired by the flexible wire mesh tires used on three Lunar Roving Vehicle (LRV) missions to the Moon on Apollo 15, 16, and 17, a new compliant tire technology was developed by the NASA Glenn Research Center (GRC) and Goodyear Tire & Rubber, known as the Spring Tire. The Spring Tire consists of several hundred coiled springs woven into a flexible mesh and formed into the shape of a tire. Like the LRV wire mesh tires, the original Spring Tires were made from spring steel and were prone to permanent deformation when undergoing high localized loads. Later, a new iteration of this technology was invented, known as the ‘Superelastic Tire’. This new technology incorporated the use of superelastic SMA springs, which could effectively undergo approximately 30 times more reversible deformation than the steel spring. It also provided even greater durability and allowed for more flexibility in design, such as the use of other structural forms to reduce mass or increase load carrying capacity. Because of the unique nature of both the SMA material and the complex interactions between the springs, designing Spring Tires for a specific application requires extensive effort. Historically, design decisions have relied on full-scale empirical testing; however, this is very expensive and time consuming, especially when multiple iterations are needed. Therefore, developing a large-scale, robust, and predictive numerical model entailing complex spring interactions and the shape memory material behavior within a tire construct is the first essential step towards a successful design program. The current work focuses on implementation of the user-defined Shape Memory Alloy (SMA) model, otherwise known as SMA-GVIPs, in the Finite Element analysis (FEA) program ABAQUS for large-scale simulations of the GRC-developed Spring Tires made of SMA. The novelty of this work lies in the thorough, detail-oriented, and computationally efficient finite element analysis of full-scale SMA tires. A well-thought material characterization plan followed by model validation and a systemic sensitivity study on SMA tires has never been reported in the previous literature. The main objective of this study is to help the team improve and optimize the structural design of the SMA tires through in-depth numerical analysis and sensitivity studies. Various design variables (wire diameter, coil diameter, pitch, bead angle, and number of springs) were varied to study their influence on the global load-displacement response of the tire construct. A detailed investigation of the three-dimensional stress states was also carried out to enhance our understanding of the local changes as the tire goes through global deformation. It was concluded that a robust numerical model with a good predictive capability, together with a thoughtfully crafted sensitivity study can result in improved design iterations required to reach a desired tire performance while, significantly reducing manufacturing, labor and testing expenses. A summary of the Finite Element (FE) model construction will be presented together with a description of the user-defined SMA model, characterization process, experimental results, model validation, and numerical sensitivity study results.

shape memory alloys↗

Investigation of Aerodynamic Matching Sensitivities for Conceptual Design

A methodology for aerodynamic matching was implemented in the Higher fidelity Conceptual Design and structural optimization (HCDstruct) tool to support transonic flutter simulations. The Enhanced Factor Correction Technique was implemented in HCDstruct to correct the Nastran doublet lattice method using data from corresponding computational fluid dynamics simulations. In this paper, sensitivities associated with this aerodynamic matching technique were investigated using HCDstruct and a Boeing 737-200-like aircraft configuration. Specifically, sensitivities of the aerodynamic matching method were investigated with respect to changes in flight conditions, such as changes in Mach number and angle of attack, and also in key design variables for the main wing, such as changes in aspect ratio and sweep angle. The variations in flight conditions and design parameters were mapped to estimated prediction error in sectional lift for the main wing, which helps to demonstrate the extent to which a user may expect a given aerodynamic correction matrix to provide suitable aerodynamic predictions for a realistic aircraft wing.

Jesse R. Quinlan↗

Investigation of Aerodynamic Matching Sensitivities for Conceptual Design

A methodology for aerodynamic matching was implemented in the Higher fidelity Conceptual Design and structural optimization (HCDstruct) tool to support transonic flutter simulations. The Enhanced Factor Correction Technique was implemented in HCDstruct to correct the Nastran doublet lattice method using data from corresponding computational fluid dynamics simulations. In this paper, sensitivities associated with this aerodynamic matching technique were investigated using HCDstruct and a Boeing 737-200-like aircraft configuration. Specifically, sensitivities of the aerodynamic matching method were investigated with respect to changes in flight conditions, such as changes in Mach number and angle of attack, and also in key design variables for the main wing, such as changes in aspect ratio and sweep angle. The variations in flight conditions and design parameters were mapped to estimated prediction error in sectional lift for the main wing, which helps to demonstrate the extent to which a user may expect a given aerodynamic correction matrix to provide suitable aerodynamic predictions for a realistic aircraft wing.

Jesse Ray Quinlan↗

Status of the NASA Balloon Program

The NASA Balloon Program (BP) is examined in an overview of design philosophy, R&D activities, flight testing, and the development of a long-duration balloon for Antarctic use. The Balloon Recovery Program was developed to qualify the use of existing films and to design improved materials and seals. Balloon flights are described for studying the supernova SN1987a, and systems were developed to enhance balloon campaigns including mobile launch vehicles and tracking/data-acquisition systems. The technical approach to long-duration ballooning is reviewed which allows the use of payloads of up to 1350 kg for two to three weeks. The BP is responsible for the development of several candidate polyethylene balloon films as well as design/performance standards for candidate balloons. Specific progress is noted in reliability and in R&D with respect to optimization of structural design, resin blending, and extrusion.

Needleman, H. C.↗

Component-wise reduced order model lattice-type structure design

Lattice-type structures can provide a combination of stiffness with light weight that is desirable in a variety of applications. Design optimization of these structures must rely on approximations of the governing physics to render solution of a mathematical model feasible. In this paper, we propose a topology optimization (TO) formulation that approximates the governing physics using component-wise reduced order modeling as introduced in Huynh et al. (2013); Eftang and Patera (2013), which can reduce solution time by multiple orders of magnitude over a full-order finite element model while providing a relative error in the solution of 1%. In addition, the offline training data set from such component-wise models is reusable, allowing its application to many design problems for only the cost of a single offline training phase, and the component-wise method is nearly embarrassingly parallel. We also show how the parameterization chosen in our optimization allows a simplification of the component-wise reduced order model (CWROM) not noted in previous literature, for further speedup of the optimization process. Furthermore, the sensitivity of the compliance with respect to the particular parameterization is derived solely at the component level. In numerical examples, we demonstrate a 1000x speedup over a full-order FEM model with relative error of 1% and show minimum compliance designs for two different cantilever beam examples, one smaller and one larger. Finally, error bounds for the displacement field, compliance, and compliance sensitivity of the CWROM are derived.

97 MATHEMATICS AND COMPUTING↗

Fluid management in space construction

The low-g fluids management group with the Center for Space Construction is engaged in active research on the following topics: gauging; venting; controlling contamination; sloshing; transfer; acquisition; and two-phase flow. Our basic understanding of each of these topics at present is inadequate to design space structures optimally. A brief report is presented on each topic showing the present status, recent accomplishings by our group and our plans for future research. Reports are presented in graphic and outline form.

Snyder, Howard↗

Composite Bus Structure for the SMEX/WIRE Satellite

In an effort to reduce the weight and optimize the structural design of the Small Explorer (SMEX) Wide-Field Infrared Explorer (WIRE) spacecraft, it has become desirable to change the material and construction from mechanically fastened aluminum structure to a fully bonded fiber-reinforced composite (FRC) structure. GSFC has developed the WIRE spacecraft structural bus design concept, including the instrument and launch vehicle requirements. The WIRE Satellite is the fifth of a series of SMEX satellites to be launched once per year. GSFC has chosen Composite Optics Inc. (COI) as the prime contractor for the development and procurement of the WIRE composite structure. The detailed design of the fully bonded FRC structure is based on COI's Short Notice Accelerated Production SATellite ("SNAPSAT") approach. SNAPSAT is a state of the art design and manufacturing technology for advanced composite materials which utilizes flat-stock detail parts bonded together to produce a final structural assembly. The structural design approach adopted for the WIRE structure provides a very viable alternative to both traditional aluminum construction as well as high tech. molded type composite structures. This approach to composite structure design is much less costly than molded or honeycomb sandwich type composite construction, but may cost slightly more than conventional aluminum construction on the subsystem level. However on the overall program level the weight saving achieved is very cost effective, since the primary objective is to allocate more mass for science payloads.

Rosanova, Giulio G.↗