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Presented here is a collection of FY 1990 research highlights from the Structural Dynamics Branch at the NASA Lewis Research Center. Highlights are from the branch's major work areas: aeroelasticity, vibration control, dynamic systems, and computational structural methods. A listing is given of FY 1990 branch publications.
Molecular dynamics computer simulations of the structure and functions of a simple membrane are performed in order to examine whether membranes provide an environment capable of promoting protobiological evolution. Our model membrane is composed of glycerol 1-monooleate. It is found that the bilayer surface fluctuates in time and space, occasionally creating thinning defects in the membrane. These defects are essential for passive transport of simple ions across membranes because they reduce the Born barrier to this process by approximately 40%. Negative ions are transferred across the bilayer more readily than positive ions due to favorable interactions with the electric field at the membrane-water interface. Passive transport of neutral molecules is, in general, more complex than predicted by the solubility-diffusion model. In particular, molecules which exhibit sufficient hydrophilicity and lipophilicity concentrate near membrane surfaces and experience 'interfacial resistance' to transport. The membrane-water interface forms an environment suitable for heterogeneous catalysis. Several possible mechanisms leading to an increase of reaction rates at the interface are discussed. We conclude that vesicles have many properties that make them very good candidates for earliest protocells. Some potentially fruitful directions of experimental and theoretical research on this subject are proposed.
The goal of the proposed research is to establish a computational and experimental platform that will allow reliable and efficient power and structural performance evaluation of FOWT. A secondary goal of the research is to establish an educational FOWT setup to promote renewable energy research among undergraduate and high-school students.
The high-performance computing (HPC) landscape is quickly changing to systems where most of the performance comes from specialized chips, specifically graphics processing units (GPUs). Such GPU systems are throughput machines, where efficient use of the GPU often requires code refactoring to expose a few orders of magnitude more fine grain parallelism than was previously used on the CPU. Recent modifications to OVERFLOW, an overset, structured grid, computational fluid dynamics flow solver, written in Fortran will be presented. These modifications include both code modernization efforts and algorithmic changes to enable OVERFLOW to efficiently utilize GPUs. Many of these algorithmic changes would likely also be applicable for other structured grid, stencil-based codes wanting to utilize GPUs. The capabilities that have been ported to run on the GPUs are presented, along with the performance gains of the GPU version relative the CPU version of OVERFLOW.
The high-performance computing (HPC) landscape is quickly changing to systems where most of the performance comes from specialized chips, specifically graphics processing units (GPUs). Such GPU systems are throughput machines, where efficient use of the GPU often requires code refactoring to expose a few orders of magnitude more fine grain parallelism than was previously used on the CPU. Recent modifications to OVERFLOW, an overset, structured grid, computational fluid dynamics flow solver, written in Fortran will be presented. These modifications include both code modernization efforts and algorithmic changes to enable OVERFLOW to efficiently utilize GPUs. Many of these algorithmic changes would likely also be applicable for other structured grid, stencil-based codes wanting to utilize GPUs. The capabilities that have been ported to run on the GPUs are presented, along with the performance gains of the GPU version relative the CPU version of OVERFLOW.
DYCAST is a nonlinear structural dynamic finite element computer code developed for crash simulation. The element library contains stringers, beams, membrane skin triangles, plate bending triangles and spring elements. Changing stiffnesses in the structure are accounted for by plasticity and very large deflections. Material nonlinearities are accommodated by one of three options: elastic-perfectly plastic, elastic-linear hardening plastic, or elastic-nonlinear hardening plastic of the Ramberg-Osgood type. Geometric nonlinearities are handled in an updated Lagrangian formulation by reforming the structure into its deformed shape after small time increments while accumulating deformations, strains, and forces. The nonlinearities due to combined loadings are maintained, and stiffness variation due to structural failures are computed. Numerical time integrators available are fixed-step central difference, modified Adams, Newmark-beta, and Wilson-theta. The last three have a variable time step capability, which is controlled internally by a solution convergence error measure. Other features include: multiple time-load history tables to subject the structure to time dependent loading; gravity loading; initial pitch, roll, yaw, and translation of the structural model with respect to the global system; a bandwidth optimizer as a pre-processor; and deformed plots and graphics as post-processors.
ANSYS Inc. develops and markets engineering simulation software and services used in the aerospace, automotive, manufacturing, electronics, biomedical, energy, defense, and many other industries. ANSYS is dedicated to engineering simulation and is the world’s leading software provider. ANSYS was founded in 1970 and is headquartered in Canonsburg, Pennsylvania. ANSYS provides an engineering analysis tool combining structural, thermal, computational fluid dynamics, acoustic, and electromagnetic simulation capabilities. ANSYS has two main programs, which use the same solvers: (1) Mechanical APDL (ANSYS Design Parametric Language), a Fortran-based coding platform, and (2) ANSYS Workbench, which uses a graphical user interface to aid in finite element analysis implementation. This plan covers both APDL and Workbench. The ANSYS computer program is a large-scale, multipurpose finite element program that can be used to solve several classes of engineering analyses. The analysis capabilities of ANSYS include the ability to solve static and dynamic structural analyses, steady-state and transient heat transfer problems, mode-frequency and buckling eigenvalue problems, static or time-varying magnetic analyses, and various types of field and coupled-field applications. The program contains many special features that allow nonlinearities or secondary effects such as plasticity, large strain, hyperelasticity, creep, swelling, large deflections, contact, stress stiffening, temperature dependency, material anisotropy, and radiation to be included in the solution. As ANSYS has been developed, other special capabilities such as substructuring, submodeling, random vibration, kinetostatics, kinetodynamics, free convection fluid analysis, acoustics, magnetics, piezoelectrics, coupled-field analysis, and design optimization have been added to the program. These capabilities contribute further to making ANSYS a multipurpose analysis tool for varied engineering disciplines. The ANSYS program has been in commercial use for over 50 years and has been used extensively in the aerospace, automotive, construction, electronic, energy services, manufacturing, nuclear, plastics, oil, and steel industries. Additionally, many consulting firms and hundreds of universities have used ANSYS for analysis, research, and educational purposes. ANSYS is recognized worldwide as one of the most widely used and capable programs of its type. Ansys design analysis software is the first created within a quality system with ISO 9001 certification, the internationally accepted quality standard. Product development, testing, maintenance and support processes also meet the United States Nuclear Regulatory Commission's quality requirements, as they have for nearly four decades. The Quality Assurance Service Agreement is suitable for the customers working in the nuclear industry who need to meet specific federal regulations including 10CRF50 Appendix B and provisions of 10CFR21. ANSYS has retained its original International Organization for Standardization (ISO) 9001 accreditation certificate since1995-05-04, It’s current certificate is valid until 2027-05-29.
Additions made to the original version of the DISCOS computer programs are presented. They include demonstrations of problems and improved capabilities. Remarks are made pertaining new subroutines.
The FLEXAN (Flexible Animation) computer program, Version 2.0 is described. FLEXAN animates 3-D wireframe structural dynamics on the Evans and Sutherland PS300 graphics workstation with a VAX/VMS host computer. Animation options include: unconstrained vibrational modes, mode time histories (multiple modes), delta time histories (modal and/or nonmodal deformations), color time histories (elements of the structure change colors through time), and rotational time histories (parts of the structure rotate through time). Concurrent color, mode, delta, and rotation, time history animations are supported. FLEXAN does not model structures or calculate the dynamics of structures; it only animates data from other computer programs. FLEXAN was developed to aid in the study of the structural dynamics of spacecraft.
This paper describes the results of a program initiated to identify the cause and the mechanism of 4-kHz vibrations of the Space Shuttle main engine's (SSME's) LOX inlet tee, which were revealed in 17 percent of the SSMEs during ground tests. The results of the engines' inspection, structural analyses, computational fluid dynamics studies, literature reviews, expert consultations, and laboratory testings identified the probable cause of the 4-kHz vibrations being related to the fact that the walls of some tees were thinner than in the mojority of tees, resulting in less stiff structures. The mechanism of the vibrations was identified as vortex shedding in combination with a structural coupling with the thrust cone, which increased the vane mobility, which, in turn, aggravated the fluid coupling with the thrust cone. As a result, the vane mobility was increased, aggravating the fluid coupling with the vanes. An internal modification was developed and was successfully demonstrated on an engine that had previously exhibited a 4-kHz problem.
The use of continuous trailing-edge flaps (CTEFs) for primary flight control of a helicopter main rotor is studied. A practical, optimized bimorph design with Macro-Fiber Composite actuators is developed for CTEF control, and a coupled structures and computational fluid dynamics methodology is used to study the fundamental behavior of an airfoil with CTEFs. These results are used within a comprehensive rotorcraft analysis model to study the control authority requirements of the CTEFs when utilized for primary flight control of a utility class helicopter. A study of the effect of blade root pitch index (RPI) on CTEF control authority is conducted, and the impact of structural and aerodynamic model complexity on the comprehensive analysis results is presented. The results show that primary flight control using CTEFs is promising; however, a more viable option may include the control of blade RPI, as well.
Protein hydrogels represent an important and growing biomaterial for a multitude of applications, including diagnostics and drug delivery. We have previously explored the ability to engineer the thermoresponsive supramolecular assembly of coiled–coil proteins into hydrogels with varying gelation properties, where we have defined important parameters in the coiled–coil hydrogel design. Using Rosetta energy scores and Poisson–Boltzmann electrostatic energies, we iterate a computational design strategy to predict the gelation of coiled–coil proteins while simultaneously exploring five new coiled–coil protein hydrogel sequences. Provided this library, we explore the impact of in silico energies on structure and gelation kinetics, where we also reveal a range of blue autofluorescence that enables hydrogel disassembly and recovery. As a result of this library, we identify the new coiled–coil hydrogel sequence, Q5, capable of gelation within 24 h at 4 °C, a more than 2-fold increase over that of our previous iteration Q2. The fast gelation time of Q5 enables the assessment of structural transition in real time using small-angle X-ray scattering (SAXS) that is correlated to coarse-grained and atomistic molecular dynamics simulations revealing the supramolecular assembling behavior of coiled–coils toward nanofiber assembly and gelation. This work represents the first system of hydrogels with predictable self-assembly, autofluorescent capability, and a molecular model of coiled–coil fiber formation.
An inflatable structural system that is a technology demonstrator for solar thermal propulsion and other applications is characterized for structural dynamic behavior both experimentally and computationally. The inflatable structure is a pressurized assembly developed for use in orbit to support a Fresnel lens or inflatable lenticular element for focusing sunlight into a solar thermal rocket engine. When the engine temperature reaches a pre-set level, the propellant is injected into the engine, absorbs heat from an exchanger, and is expanded through the nozzle to produce thrust. The inflatable structure is a passively adaptive system in that a regulator and relief valve are utilized to maintain pressure within design limits during the full range of orbital conditions. Modeling and test activities are complicated by the fact that the polyimide film material used for construction of the inflatable is nonlinear, with modulus varying as a function of frequency, temperature, and level of excitation. Modal vibration testing and finite element modeling are described in detail in this paper. The test database is used for validation and modification of the model. This work is highly significant because of the current interest in inflatable structures for space application, and because of the difficulty in accurately modeling such systems.
This report summarizes the effort to develop a multiphysics modeling framework for sublimation mass transfer processes. The aim of the project was to develop a multiphysics code capable of predicting phase change between solid and gas in a closed container, and the movement of material within such a container when exposed to various exterior environmental conditions. Two modeling frameworks were developed towards this aim: one with a high-fidelity computational fluid dynamics (CFD) structure, and the other as a fast reduced-order model. Ultimately, both attempts were unsuccessful due to instabilities in the code and physical processes for which there is no adequate numerical representation. Both modeling attempts are briefly detailed before providing a brief survey of recent updates in the literature, and a recommendation for future work on this subject.
Computer program developed to predict structural dynamics of rotor system in gas turbine engines subjected to sudden unbalance. TETRA computer code calculates transient structural response of turbine engines due to blade loss or other time-dependent events. Used on structures other than turbine engines with little or no modification.
Abstract Molecular excitons play a central role in natural and artificial light harvesting, organic electronics, and nanoscale computing. The structure and dynamics of molecular excitons, critical to each application, are sensitively governed by molecular packing. Deoxyribonucleic acid (DNA) templating is a powerful approach that enables controlled aggregation via sub-nanometer positioning of molecular dyes. However, finer sub-Angstrom control of dye packing is needed to tailor excitonic properties for specific applications. Here, we show that adding rotaxane rings to squaraine dyes templated with DNA promotes an elusive oblique packing arrangement with highly desirable optical properties. Specifically, dimers of these squaraine:rotaxanes exhibit an absorption spectrum with near-equal intensity excitonically split absorption bands. Theoretical analysis indicates that the transitions are mostly electronic in nature and only have similar intensities over a narrow range of packing angles. Compared with squaraine dimers, squaraine:rotaxane dimers also exhibit extended excited-state lifetimes and less structural heterogeneity. The approach proposed here may be generally useful for optimizing excitonic materials for a variety of applications ranging from solar energy conversion to quantum information science.
Abstract Understanding the spin-wave excitations of chiral magnetic order, such as the skyrmion crystal (SkX), is of fundamental interest to confirm such exotic magnetic order. The SkX is realized by competing Dzyaloshinskii-Moriya and ferromagnetic-exchange interactions with a magnetic field or anisotropy. Here, we compute the dynamical spin structure factor, using Monte Carlo and spin dynamics simulations, extracting the spin-wave spectrum in the SkX, in the vicinity of the paramagnet to SkX transition. Inside the SkX, we find six spin-wave modes, which are supplemented by another mode originating from the ferromagnetic background. Above the critical temperature T s for the skyrmion crystallization, we find a diffusive regime, reminiscent of the liquid-to-crystal transition, revealing that topological spin texture of skyrmionic character starts to develop above T s as the precursor of the SkX. We discuss the opportunities for the detection of the spin waves of the SkX using inelastic-neutron-scattering experiments in manganite-iridate heterostructures.
The Material Plasma Exposure eXperiment (MPEX) at Oak Ridge National Laboratory is in the final design phase. MPEX will be capable of exposing neutron-irradiated materials to plasmas for the study of plasma-material interaction. This facility will provide information about the complex effects of plasmas on materials and contribute to examining new materials that can withstand high heat fluxes and high ion fluences for future fusion devices. MPEX plasma is heated by 70-GHz or 105-GHz electron Bernstein wave/electron cyclotron heating (ECH), and the high-frequency microwaves are prone to scattering microwave power, which can have detrimental effects, especially on diagnostic components. A large portion of the injected ECH power is expected to be absorbed by plasma, but the remainder requires that microwave absorbers be placed immediately upstream and downstream of the ECH launcher to minimize stray microwaves leaving the ECH region. These microwaves can inadvertently heat components that cannot be shielded or otherwise protected. The microwave absorber design is based on an array of pyramid-shaped ceramic tiles brazed to a water-cooled explosion-bonded heat sink and a stainless steel plate to produce one tile module. Computational fluid dynamics and structural analyses were performed to optimize and validate the design. Multiple test coupons were produced to validate the process for brazing the two different tile materials to the Glidcop AL-15 baseplate. The articles were tested to evaluate the reliability and thermal performance through exposure to an electron beam with a heat flux of up to 1.5 MW/m2. Nondestructive testing was performed before and after testing to identify voids or separations that may have been introduced by the high heat flux. This paper discusses the details of high heat flux microwave absorber design, manufacturing details and associated challenges, and test results, demonstrating the effectiveness of the proposed design.