SEARCH · Search NASA

Results for “linear response theory”

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.

SourceResearch connectionFrom yearThrough year

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

At least 145 records · Page 8

All sources NASA NTRS DOE OSTI

DOE OSTI2024

Sparse-Stochastic Fragmented Exchange for Large-Scale Hybrid Time-Dependent Density Functional Theory Calculations

Here we extend our recently developed sparse-stochastic fragmented exchange formalism for ground-state near-gap hybrid DFT to calculate absorption spectra within linear-response time-dependent generalized Kohn-Sham DFT (LR-GKS-TDDFT) for systems consisting of thousands of valence electrons within a grid-based/plane-wave representation. A mixed deterministic/fragmented-stochastic compression of the exchange kernel, here using long-range explicit exchange functionals, provides an efficient method for accurate optical spectra. Both real-time propagation as well as frequency-resolved Casida-equation-type approaches for spectra are presented, and the method is applied to large molecular dyes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Continuum model of strong light-matter coupling for molecular polaritons

Strong coupling between light and matter generates hybrid polariton modes. We present a continuum formalism that expresses the polariton modes in terms of light and matter densities of states (DOS). We derive exact expressions for the light and matter DOS for a planar cavity containing a strongly dispersive dielectric.We show that these DOS depend exclusively on the linear response of the cavity components, i.e., the reflectance of the mirrors and the susceptibility of the dielectric. Here, we further show that, within the strong coupling regime, the light and matter DOS are well approximated by coupled mode theory. Altogether, our continuum formalism offers a unified treatment of polaritons that connects the framework of light-matter coupling with that of linear dispersion.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Non-resonant Raman optical activity from phase-space electronic structure theory

In order to model experimental non-resonant Raman optical activity, chemists must compute a host of second-order response tensors (e.g., the electric-dipole–magnetic-dipole polarizability) and their nuclear derivatives along a set of vibrational modes. While these response functions are almost always computed within a Born–Oppenheimer (BO) framework, here we provide a natural interpretation of the electric-dipole–magnetic-dipole polarizability within phase space electronic structure theory, a beyond-BO model whereby the electronic structure depends on nuclear momentum (P) in addition to nuclear position (R). By coupling to nuclear momentum, phase space electronic structure theory is able to capture the asymmetric response of the electronic properties to an external field, in so far as for a vibrating (non-stationary) molecule, $\frac{∂μ}{∂B}$≠$\frac{∂m}{∂F}$, where μ and m are the electrical linear and magnetic dipoles, and F and B are electric and magnetic fields. As an example, for a prototypical methyloxirane molecule, we show that phase space electronic structure theory is able to deliver a reasonably good match with experimental results in a manner that is formally invariant to gauge origin G 0 —provided that one uses a complete basis or, alternatively, gauge invariant atomic orbitals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Modern control techniques in active flutter suppression using a control moment gyro

Development of organized synthesis techniques, using concepts of modern control theory was studied for the design of active flutter suppression systems for two and three-dimensional lifting surfaces, utilizing a control moment gyro (CMG) to generate the required control torques. Incompressible flow theory is assumed, with the unsteady aerodynamic forces and moments for arbitrary airfoil motion obtained by using the convolution integral based on Wagner's indicial lift function. Linear optimal control theory is applied to find particular optimal sets of gain values which minimize a quadratic performance function. The closed loop system's response to impulsive gust disturbances and the resulting control power requirements are investigated, and the system eigenvalues necessary to minimize the maximum value of control power are determined.

Buchek, P. M.↗

NASA NTRS1991

Nonlinear analysis and redesign of the mixed-mode bending delamination test

The Mixed Mode Bending (MMB) test uses a lever to simultaneously apply mode I and mode II loading to a split beam specimen. An iterative analysis that accounts for the geometric nonlinearity of the MMB test was developed. The analysis accurately predicted the measured load displacement response and the strain energy release rate, G, of an MMB test specimen made of APC2 (AS4/PEEK). The errors in G when calculated using linear theory were found to be as large as thirty percent in some cases. Because it would be inconvenient to use a nonlinear analysis to analyze MMB data, the MMB apparatus was redesigned to minimize the nonlinearity. The nonlinear analysis was used as a guide in redesigning the MMB apparatus. With the redesigned apparatus, loads were applied through a roller attached to the level and loaded just above the midplane of the test specimen. The redesigned apparatuus has geometric nonlinearity errors of less than three percent, even for materials substantially tougher than APC2. This apparatus was demonstrated by measuring the mixed mode delamination fracture toughness of APC2.

Reeder, J. R.↗

DOE OSTI2025

Experimental and computational study of phase space dynamics in strongly coupled plasmas with steep density gradients

Understanding how plasmas thermalize when density gradients are steep remains a fundamental challenge in plasma physics, with direct implications for fusion experiments and astrophysical phenomena. Standard hydrodynamic models break down in these regimes, and kinetic theories make predictions that have never been directly tested. Here, we present the first detailed phase-space measurements of a strongly coupled plasma as it evolves from sharp density gradients to thermal equilibrium. Using laser-induced fluorescence imaging of an ultracold calcium plasma, we track the complete ion distribution function f(x,v,t). We discover that commonly used kinetic models (Bhatnagar–Gross–Krook and Lenard–Bernstein) overpredict thermalization rates, even while correctly capturing the initial counterstreaming plasma formation. Our measurements reveal that the initial ion acceleration response scales linearly with electron temperature, and that the simulations underpredict the initial ion response. In our geometry we demonstrate the formation of well-controlled counterpropagating plasma beams. This experimental platform enables precision tests of kinetic theories and opens new possibilities for studying plasma stopping power and flow-induced instabilities in strongly coupled systems.

Bergeson, Scott (ORCID:0000000231249226)↗

DOE OSTI2024

Prediction of photodynamics of 200 nm excited cyclobutanone with linear response electronic structure and ab initio multiple spawning

Simulations of photochemical reaction dynamics have been a challenge to the theoretical chemistry community for some time. In an effort to determine the predictive character of current approaches, we predict the results of an upcoming ultrafast diffraction experiment on the photodynamics of cyclobutanone after excitation to the lowest lying Rydberg state (S 2 ). A picosecond of nonadiabatic dynamics is described with ab initio multiple spawning. Herein we use both time dependent density functional theory (TDDFT) and equation-of-motion coupled cluster singles and doubles (EOM-CCSD) theory for the underlying electronic structure theory. We find that the lifetime of the S 2 state is more than a picosecond (with both TDDFT and EOM-CCSD). The predicted ultrafast electron diffraction spectrum exhibits numerous structural features, but weak time dependence over the course of the simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1974

Combustion instability with partial length acoustic liners

The development of analytical techniques and numerical methods for the prediction of the stability behavior of liquid propellant rocket combustors is discussed. The studies involved nonlinear wave propagation effects and nonlinear combustion zone, liner, and nozzle responses. A second primary extension of the basic theory was directed at the inclusion of the effects of injector face baffles. Attention was restricted to the linear (small amplitude) problem, finite Mach numbers, three dimensional oscillations, and distributed combustion effects.

Mitchell, C. E.↗

NASA NTRS1976

Nonlinear effects in thermal stress analysis of a solid propellant rocket motor

Direct characterization procedures were used to determine the relaxation modulus as a function of time, temperature, and state of strain. Using the quasi-elastic method of linearviscoelasticity, these properties were employed in a finite element computer code to analyze a thick-walled, nonlinear viscoelastic cylinder in the state of plane strain bonded to a thin (but stiff) elastic casing and subjected to slow thermal cooling. The viscoelastic solution is then expressed as a sequence of elastic finite element solutions. The strain-dependent character of the relaxation modulus is included by replacing the single relaxation curve used in the linear viscoelastic theory by a family of relaxation functions obtained at various strain levels. These functions may be regarded as a collection of stress histories or responses to specific loads (in this case, step strains) with which the cooldown solution is made to agree by iterations on the modulus and strain level.

Francis, E. C.↗

NASA NTRS1990

Optimal fabrication processes for unidirectional metal-matrix composites: A computational simulation

A method is proposed for optimizing the fabrication process of unidirectional metal matrix composites. The temperature and pressure histories are optimized such that the residual microstresses of the composite at the end of the fabrication process are minimized and the material integrity throughout the process is ensured. The response of the composite during the fabrication is simulated based on a nonlinear micromechanics theory. The optimal fabrication problem is formulated and solved with non-linear programming. Application cases regarding the optimization of the fabrication cool-down phases of unidirectional ultra-high modulus graphite/copper and silicon carbide/titanium composites are presented.

Saravanos, D. A.↗

NASA NTRS1990

Assessment of computational models for multilayered composite shells

A review is made of the different approaches used for modeling multilayered composite shells. Discussion focuses on different approaches for developing two-dimensional shear deformation theories; classification of two-dimensional theories based on introducing plausible displacement, strain and/or stress assumptions in the thickness direction; first-order shear deformation theories based on linear displacement assumptions in the thickness coordinate; and efficient computational strategies for anisotropic composite shells. Extensive numerical results are presented showing the effects of variation in the lamination and geometric parameters of simply supported composite cylinders on the accuracy of the static and vibrational responses predicted by eight different modeling approaches (based on two-dimensional shear deformation theories).

Noor, Ahmed K.↗

NASA NTRS1991

Unsymmetric Lanczos model reduction and linear state function observer for flexible structures

This report summarizes part of the research work accomplished during the second year of a two-year grant. The research, entitled 'Application of Lanczos Vectors to Control Design of Flexible Structures' concerns various ways to use Lanczos vectors and Krylov vectors to obtain reduced-order mathematical models for use in the dynamic response analyses and in control design studies. This report presents a one-sided, unsymmetric block Lanczos algorithm for model reduction of structural dynamics systems with unsymmetric damping matrix, and a control design procedure based on the theory of linear state function observers to design low-order controllers for flexible structures.

Su, Tzu-Jeng↗

NASA NTRS1987

Nonlinear analysis for the response and failure of compression-loaded angle-ply laminates with a hole

The objective was to determine the effect of nonlinear material behavior on the response and failure of unnotched and notched angle-ply laminates under uniaxial compressive loading. The endochronic theory was chosen as the constitutive theory to model the AS4/3502 graphite-epoxy material system. Three-dimensional finite element analysis incorporating the endochronic theory was used to determine the stresses and strains in the laminates. An incremental/iterative initial strain algorithm was used in the finite element program. To increase computational efficiency, a 180 deg rotational symmetry relationship was utilized and the finite element program was vectorized to run on a supercomputer. Laminate response was compared to experimentation revealing excellent agreement for both the unnotched and notched angle-ply laminates. Predicted stresses in the region of the hole were examined and are presented, comparing linear elastic analysis to the inelastic endochronic theory analysis. A failure analysis of the unnotched and notched laminates was performed using the quadratic tensor polynomial. Predicted fracture loads compared well with experimentation for the unnotched laminates, but were very conservative in comparison with experiments for the notched laminates.

Mathison, Steven R.↗

NASA NTRS1976

Optimal control of a low wing-loading STOL aircraft

Linear optimal quadratic control theory is applied to a low wing-loading STOL aircraft for ride quality and flight path following. Design criteria include minimum rms response to wind turbulence and desired transient response characteristics. Design techniques include proper choosing of design versus evaluation models, choosing appropriate performance index responses, and use of classical evaluation techniques. Results are obtained through a combination of frequency response shaping and gust observation. Effects of control rate and authority saturation are examined with a new rapid calculation of random input describing functions. Parameter sensitivity is also evaluated using a Liapunov type matrix equation.

Cunningham, T. B.↗

NASA NTRS1978

Effects of moisture profiles and laminate configuration on the hygro stress in advanced composites

A theoretical investigation was performed using a recently developed integrated theory for predicting the hygrothermomechanical response to investigate the effects of three different moisture profiles on the ply hygro stresses in angleplied laminates. The moisture profiles were linear, parabolic and hyperbolic varying from 1 percent at the exposed ply to '0' percent in the protected ply. The angleplied laminates were of two generic configurations. The results obtained are summarized graphically to illustrate the effects of both moisture profile and laminate configuration.

Chamis, C. C.↗

NASA NTRS1984

Photodiodes for Astronomical Stellar Radiometry

The theory of photodiodes and their application to radiometric measurements is reviewed. Some suggestions concerning photodiode detectors for use in stellar radiometric measurements are given. Quantum efficiency, linear response characteristics, and noise current values of silicon photodiodes are considered.

Schaefer, A. R.↗

NASA NTRS1995

Assessment of computational models for thermoelectroelastic multilayered plates

A study is made of the accuracy of the steady-state (static) thermoelectroelastic response of multilayered hybrid composite plates predicted by five modeling approaches, based on two-dimensional plate theories. The plates consist of a combination of fiber-reinforced and piezothermoelastic layers. The standard of comparison is taken to be the exact three-dimensional thermoelectroelastic solutions, and the quantities compared include gross response characteristics (e.g., strain energy components, and average through-the-thickness displacements); detailed, through-the-thickness distributions of displacements and stresses; and sensitivity coefficients of the response quantities (derivatives of the response quantities with respect to material parameters of the plate). The modeling approaches considered include first-order theory; third-order theory; discrete-layer theory (with piecewise linear variation of the in-plane displacements, temperature and electric potential, in the thickness direction); and two predictor-corrector procedures.

Tang, Yvette T.↗

NASA NTRS1980

Output feedback non-linear decoupled control synthesis and observer design for manoeuvring aircraft

A study of the applicability of nonlinear decoupling theory to the design of control systems using output feedback for maneuvering aircraft is presented. The response variables chosen for decoupled control were angular velocity components along roll, pitch, and yaw axes, angle of attack (p), and angle of sideslip, using aileron, rudder, and elevator controls. An observer design for a class of nonlinear systems was presented and this method was used to estimate angle of attack and sideslip; an approximate observer was obtained by neglecting derivatives of p and aileron deflection angles and it was used in a simulation study. A simulation study showed that precise rapid combined lateral and longitudinal maneuvers can be performed; it was also demonstrated that a bank-angle-command outer loop could be designed for precise bank angles changes and simultaneous large lift maneuvers.

Singh, S. N.↗