Search NASA⌕ Search

SEARCH · Search NASA

Results for “Structural simulation”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
NASA NTRS1990

Progression of damage and fracture in composites under dynamic loading

A new computational simulation method is presented to evaluate the dynamic aspects of composite structural response and durability that could not be simulated previously. Composite structural behavior under any loading, geometry, composite system, laminate configuration, and boundary conditions can now be simulated. Structural degradation, delamination, fracture, and damage propagation are included in the simulation. An angle-plied composite plate structure under normal impact loading is used as an example to demonstrate the versatility of the simulation method.

Minnetyan, Levon↗
DOE OSTI2018

Comparison of Peptide Ion Conformers Arising from Non-Helical and Helical Peptides Using Ion Mobility Spectrometry and Gas-Phase Hydrogen/Deuterium Exchange

The dominant gas-phase conformer of [M+3H]{sup 3+} ions of the model peptide acetyl-PSSSSKSSSSKSSSSKSSSSK has been examined with ion mobility spectrometry (IMS), gas-phase hydrogen deuterium exchange (HDX), and mass spectrometry (MS) techniques. The [M+3H]{sup 3+} peptide ions are observed predominantly as a relatively compact conformer type. Upon subjecting these ions to electron transfer dissociation (ETD), the level of protection for each amino acid residue in the peptide sequence is assessed. The overall per-residue deuterium uptake is observed to be relatively more efficient for the neutral residues than for the model peptide acetyl-PAAAAKAAAAKAAAAKAAAAK. In comparison, the N-terminal and C-terminal regions of the serine peptide show greater relative protection compared with interior residues. Molecular dynamics (MD) simulations have been used to generate candidate structures for collision cross section and HDX reactivity matching. Hydrogen accessibility scoring (HAS) for select structural candidates from MD simulations has been used to suggest conformer types that could contribute to the observed HDX patterns. The results are discussed with respect to recent studies employing extensive MD simulations of gas-phase structure establishment of a peptide system. .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

Progression of damage and fracture in composites under dynamic loading

A new computational simulation method is presented to evaluate the dynamic aspects of composite structural response and durability that have not been simulated previously. Composite structural behavior under any loading condition, geometry, composite system, laminate configuration, and boundary conditions can now be simulated. Structural degradation, delamination, fracture, and damage propagation are included in the simulation. An angle-plied composite plate structure under normal impact loading is used as an example to demonstrate the versatility of the simulation method.

Minnetyan, Levon↗
DOE OSTI2022

Atomically thin interlayer phase from first principles enables defect-free incommensurate SnO2/CdTe interface

Advancing optoelectronic and emerging technologies increasingly requires control and design of interfaces between dissimilar materials. However, incommensurate interfaces are notoriously defective and rarely benefit from first-principles predictions, because no explicit atomic-structure models exist. Here, we adopt a bulk crystal structure prediction method to the interface geometry and apply it to SnO2/CdTe heterojunctions without and with the addition of CdCl2, a ubiquitous and beneficial, but abstruse processing step in CdTe photovoltaics. Whereas the direct SnO2/CdTe interface is highly defective, we discover a unique two-dimensional CdCl2 interphase, unrelated to the respective bulk structure. It facilitates a seamless transition from the rutile to zincblende lattices and removes defect-states from the interface bandgap. Implementing the predicted interface electronic structure in device simulations, we demonstrate the theoretical feasibility of bufferless oxide-CdTe heterojunction solar cells approaching the Shockley–Queisser limit. Our results highlight the broader potential of designing atomically thin interlayers to enable defect-free incommensurate interfaces.

14 SOLAR ENERGY↗
DOE OSTI2023

Multi-mode quasi-static excitation for systems with nonlinear joints

Finite element models can be used to model and predict the hysteresis and energy dissipation exhibited by nonlinear joints in structures. As a result of the nonlinearity, the frequency and damping of a mode is dependent on excitation amplitude, and when the modes remain uncoupled, quasi-static modal analysis has been shown to efficiently predict this behavior. However, in some cases the modes have been observed to couple such that the frequency and damping of one mode is dependent on the amplitude of other modes. To model the interactions between modes, one must integrate the dynamic equations in time, which is several orders of magnitude more expensive than quasi-static analysis. This work explores an alternative where quasi-static forces are applied in the shapes of two or more modes of vibration simultaneously, and the resulting load–displacement curves are used to deduce the effect of other modes on the effective frequency and damping of the mode in question. This methodology is demonstrated on a simple 2D cantilever beam structure with a single bolted joint which exhibits micro-slip nonlinearity over a range of vibration amplitudes. The predicted frequency and damping are compared with those extracted from a few expensive dynamic simulations of the structure, showing that the quasi-static approach produces reasonable albeit highly conservative bounds on the observed dynamics. This framework is also demonstrated on a 3D structure where dynamic simulations are infeasible.

42 ENGINEERING↗
DOE OSTI2022

Trotter Errors from Dynamical Structural Instabilities of Floquet Maps in Quantum Simulation

We study the behavior of errors in the quantum simulation of spin systems with long-range multibody interactions resulting from the Trotter-Suzuki decomposition of the time-evolution operator. We identify a regime where the Floquet operator underlying the Trotter decomposition undergoes sharp changes even for small variations in the simulation step size. This results in a time evolution operator that is very different from the dynamics generated by the targeted Hamiltonian, which leads to a proliferation of errors in the quantum simulation. These regions of sharp change in the Floquet operator, referred to as structural instability regions, appear typically at intermediate Trotter step sizes and in the weakly interacting regime, and are thus complementary to recently revealed quantum chaotic regimes of the Trotterized evolution [L. M. Sieberer et al. npj Quantum Inf. 5, 78 (2019); M. Heyl, P. Hauke, and P. Zoller, Sci. Adv. 5, eaau8342 (2019)]. We characterize these structural instability regimes in p-spin models, transverse-field Ising models with all-to-all p-body interactions, and analytically predict their occurrence based on unitary perturbation theory. We further show that the effective Hamiltonian associated with the Trotter decomposition of the unitary time-evolution operator, when the Trotter step size is chosen to be in the structural instability region, is very different from the target Hamiltonian, which explains the large errors that can occur in the simulation in the regions of instability. These results have implications for the reliability of near-term gate-based quantum simulators, and reveal an important interplay between errors and the physical properties of the system being simulated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Natronomonas pharaonis halorhodopsin Ser81 plays a role in maintaining chloride ions near the Schiff base

Highlights: • S81A mutant of NpHR lose light-induced photocurrent. • The direction of the Thr126 side chain was fixed by a hydroxyl group of Ser81. • S81A mutation decrease the interaction between Thr126 and a chloride ion. • Ser81 plays a key role in chloride migration. Optogenetic technologies have often been used as tools for neuronal activation or silencing by light. Natronomonas pharaonis halorhodopsin (NpHR) is a light-driven chloride ion pump. Upon light absorption, a chloride ion passes through the cell membrane, which is accompanied by the temporary binding of a chloride ion with Thr126 at binding site-1 (BS1) near the protonated Schiff base in NpHR. However, the mechanism of stabilization of the binding state between a chloride ion and BS1 has not been investigated. Therefore, to identify a key component of the chloride ion transport pathway as well as to acquire dynamic information about the chloride ion-BS1 binding state, we performed a rough analysis of the chloride ion pathway shape followed by molecular dynamics (MD) simulations for both wild-type and mutant NpHR structures. The MD simulations showed that the hydrogen bond between Thr126 and the chloride ion was retained in the wild-type protein, while the chloride ion could not be retained at and tended to leave BS1 in the S81A mutant. We found that the direction of the Thr126 side chain was fixed by a hydroxyl group of Ser81 through a hydrogen bond and that Thr126 bound to a chloride ion in the wild-type protein, while this interaction was lost in the S81A mutant, resulting in rotation of the Thr126 side chain and reduction in the interaction between Thr126 and a chloride ion. To confirm the role of S81, patch clamp recordings were performed using cells expressing NpHR S81A mutant protein. Considered together with the results that the NpHR S81A-expressing cells did not undergo hyperpolarization under light stimulation, our results indicate that Ser81 plays a key role in chloride migration. Our findings might be relevant to ongoing clinical trials using optogenetic gene therapy in blind patients.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Neutron diffraction discriminates between models for the nanoarchitecture of graphene sheets in glassy carbon

Glassy carbon is a chemically inert, biocompatible, disordered material with the graphene sheet as its basic building block. Structural characterisation techniques have so far been unable to provide definitive distinction between the many proposed models for its structure. Computer based simulation methods have made a step forward by predicting structure from interaction potentials, but the results are sensitive to the choice of the potential. Here we use the white neutron beam of the Spallation Neutron Source at Oak Ridge National Laboratory coupled with the SNAP time-of-flight diffractometer to sample the reciprocal space of glassy carbon and calculate accurate radial distribution functions. From the radial distribution information, we determine graphene sheet dimensions, registration, curvature, and assess defect content to rank the proposed structures in terms of their agreement with experimental data. In this work, we find that the recent models derived from empirical potentials give the best agreement.

36 MATERIALS SCIENCE↗
NASA NTRS2001

DTFM Modeling and Analysis Method for Gossamer Structures

Gossamer systems are mostly composed of support structures formed by highly flexible, long tubular elements and pre-tensioned thin-film membranes. These systems offer order-of-magnitude reductions in mass and launch volume and will revolutionize the architecture and design of space flight systems that require large in-orbit configurations and apertures. A great interest has been generated in recent years to fly gossamer systems on near-term and future space missions. Modeling and analysis requirements for gossamer structures are unique. Simulation of in-space performance issues of gossamer structures, such as inflation deployment of flexible booms, formation and effects of wrinkle in tensioned membranes, synthesis of tubular and membrane elements into a complete structural system, usually cannot be accomplished by using the general-purpose finite-element structural analysis codes. This has led to the need of structural modeling and analysis capabilities specifically suitable for gossamer structures. The Distributed Transfer Function Method (DTFM) can potentially meet this urgent need. Additional information is contained in the original extended abstract.

Fang, Hou-Fei↗
NASA NTRS1997

Progressive Damage and Fracture of Unstiffened and Stiffened Composite Pressure Vessels

Structural durability and damage tolerance characteristics of pressurized graphite/epoxy laminated thin composite cylinders are investigated via computational simulation. Both unstiffened and integral hoop stiffened cylinders are considered. A computer code is utilized for the simulation of composite structural degradation under loading. Damage initiation, growth, accumulation, and propagation to structural fracture are included in the simulation. The increase of burst pressure due to hoop stiffening is quantified. Results demonstrate the significance of the type and size of local defects on the structural durability of pressurized composite cylindrical shells.

Minnetyan, Levon↗
NASA NTRS2002

Deployment Simulation of Ultra-Lightweight Inflatable Structures

Dynamic deployment analyses of folded inflatable tubes are conducted to investigate modeling issues related to the deployment of solar sail booms. The analyses are necessary because ground tests include gravity effects and may poorly represent deployment in space. A control volume approach, available in the LS-DYNA nonlinear dynamic finite element code, and the ideal gas law are used to simulate the dynamic inflation deployment process. Three deployment issues are investigated for a tube packaged in a Z-fold configuration. The issues are the effect of the rate of inflation, the effect of residual air, and the effect of gravity. The results of the deployment analyses reveal that the time and amount of inflation gas required to achieve a full deployment are related to these issues.

Wang, John T.↗
NASA NTRS2001

Binaural Simulation Experiments in the NASA Langley Structural Acoustics Loads and Transmission Facility

A location and positioning system was developed and implemented in the anechoic chamber of the Structural Acoustics Loads and Transmission (SALT) facility to accurately determine the coordinates of points in three-dimensional space. Transfer functions were measured between a shaker source at two different panel locations and the vibrational response distributed over the panel surface using a scanning laser vibrometer. The binaural simulation test matrix included test runs for several locations of the measuring microphones, various attitudes of the mannequin, two locations of the shaker excitation and three different shaker inputs including pulse, broadband random, and pseudo-random. Transfer functions, auto spectra, and coherence functions were acquired for the pseudo-random excitation. Time histories were acquired for the pulse and broadband random input to the shaker. The tests were repeated with a reflective surface installed. Binary data files were converted to universal format and archived on compact disk.

Grosveld, Ferdinand W.↗
DOE OSTI2020

Aeroelastic oscillations of a pitching flexible wing with structural geometric nonlinearities: Theory and numerical simulation

In this paper, we focus on the derivation of an analytical model of the aeroelastic dynamics of an elastically mounted flexible wing. This equations of motion obtained serve to help understand the behaviour of the aeroelastic wind tunnel setup in question, which consists of a rectangular wing with a uniform NACA 0012 airfoil profile, whose base is free to rotate rigidly about a longitudinal axis. Of particular interest are the structural geometric nonlinearities primarily introduced by the coupling between the rigid body pitch degree-of-freedom and the continuous system. A coupled system of partial differential equations (PDEs) coupled with an ordinary differential equation (ODE) describing axial-bending-bending-torsion-pitch motion is derived using Hamilton's principle. A finite dimensional approximation of the system of coupled differential equations is obtained using the Galerkin method, leading to a system of coupled nonlinear ODEs. Subsequently, these nonlinear ODEs are solved numerically using Houbolt's method. The results that are obtained are verified by comparison with the results obtained by direct integration of the equations of motion using a finite difference scheme. Adopting a linear unsteady aerodynamic model, it is observed that the system undergoes coalescence flutter due to coupling between the rigid body pitch rotation dominated mode and the first flapwise bending dominated mode. Finally, the behaviour of the limit cycle oscillations is primarily influenced by the structural geometric nonlinear terms in the coupled system of PDEs and ODE.

42 ENGINEERING↗
NASA NTRS2006

Aerothermodynamic Analyses of Towed Ballutes

A ballute (balloon-parachute) is an inflatable, aerodynamic drag device for application to planetary entry vehicles. Two challenging aspects of aerothermal simulation of towed ballutes are considered. The first challenge, simulation of a complete system including inflatable tethers and a trailing toroidal ballute, is addressed using the unstructured-grid, Navier-Stokes solver FUN3D. Auxiliary simulations of a semi-infinite cylinder using the rarefied flow, Direct Simulation Monte Carlo solver, DSV2, provide additional insight into limiting behavior of the aerothermal environment around tethers directly exposed to the free stream. Simulations reveal pressures higher than stagnation and corresponding large heating rates on the tether as it emerges from the spacecraft base flow and passes through the spacecraft bow shock. The footprint of the tether shock on the toroidal ballute is also subject to heating amplification. Design options to accommodate or reduce these environments are discussed. The second challenge addresses time-accurate simulation to detect the onset of unsteady flow interactions as a function of geometry and Reynolds number. Video of unsteady interactions measured in the Langley Aerothermodynamic Laboratory 20-Inch Mach 6 Air Tunnel and CFD simulations using the structured grid, Navier-Stokes solver LAURA are compared for flow over a rigid spacecraft-sting-toroid system. The experimental data provides qualitative information on the amplitude and onset of unsteady motion which is captured in the numerical simulations. The presence of severe unsteady fluid - structure interactions is undesirable and numerical simulation must be able to predict the onset of such motion.

Gnoffo, Peter A.↗
NASA NTRS1991

Probabilistic simulation of the human factor in structural reliability

Many structural failures have occasionally been attributed to human factors in engineering design, analyses maintenance, and fabrication processes. Every facet of the engineering process is heavily governed by human factors and the degree of uncertainty associated with them. Factors such as societal, physical, professional, psychological, and many others introduce uncertainties that significantly influence the reliability of human performance. Quantifying human factors and associated uncertainties in structural reliability require: (1) identification of the fundamental factors that influence human performance, and (2) models to describe the interaction of these factors. An approach is being developed to quantify the uncertainties associated with the human performance. This approach consists of a multi factor model in conjunction with direct Monte-Carlo simulation.

Shah, Ashwin R.↗
NASA NTRS1992

Observation and simulation of the radial evolution and stream structure of solar wind turbulence

This paper presents a brief overview of the observed evolution in a variety of quantities describing the turbulent evolution of the interplanetary plasma and describes simulation results consistent with many features of the evolution. The turbulence is manifested through a dissipation at small scales in the inner heliosphere with a corresponding evolution in the breakpoint between a relatively flat and a Kolmogoroff spectrum; an evolution from kinetically to (slightly) magnetically dominated energy of the plasma fluctuations; a general decrease in the cross helicity or 'Alfvenicity'; changes in the anisotropy of the fluctuations; and the increasing predominance of quasi-pressure-balanced structures in the compressive component of the fluctuations. MHD simulations with shear layers either side of a central current sheet show that even in the absence of compressibility the lack of a mean field along the direction of the main flow in the current sheet leads to rapid nonlinear evolution and the observed characteristics of 'Elsasser spectra' of the fields in the inner heliosphere. Adding compressibility to the simulations does not greatly change the 'incompressive' quantities but leads in addition to observed correlations between a measure of compression and other quantities.

Roberts, D. A.↗