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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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NASA NTRS1990

Optimal placement of actuators and sensors in control augmented structural optimization

A control-augmented structural synthesis methodology is presented in which actuator and sensor placement is treated in terms of (0,1) variables. Structural member sizes and control variables are treated simultaneously as design variables. A multiobjective utopian approach is used to obtain a compromise solution for inherently conflicting objective functions such as strucutal mass control effort and number of actuators. Constraints are imposed on transient displacements, natural frequencies, actuator forces and dynamic stability as well as controllability and observability of the system. The combinatorial aspects of the mixed - (0,1) continuous variable design optimization problem are made tractable by combining approximation concepts with branch and bound techniques. Some numerical results for example problems are presented to illustrate the efficacy of the design procedure set forth.

Sepulveda, A. E.↗

NASA NTRS1992

Application of Newton modified barrier method (NMBM) to structural optimization

This paper presents the application of the NMBM to obtain a minimum weight structure with constraints on displacements and minimum sizes. The solution to the problem is obtained via minimizing the Modified Barrier Function (MBF) at each step by using the Newton Method and updating Lagrange multipliers. The Lagrange multipliers are updated by using the value of the constraints at the minimum of the MBF. Three truss problems with a different number of design variables are solved. The convergence to the minimum weight design was found to be monotonic and the algorithm is potentially robust for solving problems with a large number of design variables.

Khot, N. S.↗

DOE OSTI2024

Image-Based Digital Twin for Assessing the Coupled Electro-Chemo-Mechanical Behavior of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. The discrete nature of the images' pixel points is employed throughout the model and approximation construction. The mechanical model is verified using an image-based microstructure under tensile loading. A transient electro-chemo-mechanical coupled simulation is performed to evaluate the potential micro-cracking induced degradation of the battery cathode material subjected to charge/discharge cycling.

battery degradation↗

DOE OSTI2024

Image-Based Failure Assessment of Li-Ion Batteries

In energy storage materials, strong electrochemical-mechanical coupling and highly anisotropic material properties contribute to the formation and propagation of micro-cracking during charge/discharge cycling, resulting in reduced performance and service life. In this work, a digital twin is created to investigate the performance of a heterogeneous Li-ion battery cathode and simulate degradation accumulation. Pixel-based model construction is used to represent the complex material geometries from microstructural images supplied by the National Renewable Energy Laboratory (NREL). Because of the expected large deformation and crack opening, the reproducing kernel particle method (RKPM), a meshfree method with discretization at the image pixels, is used to approximate the field variables: electrostatic potential, concentration, and displacement. An interface modified reproducing kernel (IM-RK) is constructed by scaling a smooth kernel function with an interface-distance function to achieve strategic discontinuity types (i.e. weak discontinuities for strain discontinuities and strong discontinuities for cracks) and alleviate Gibbs oscillations near these transition zones. Applications to the heterogeneous microstructures of Li-ion battery cathodes will be presented to demonstrate the effectiveness of the proposed methods. IM-RK is additionally used to inform how crack evolution in turn affects the coupled electro-chemo-mechanical behavior of the Li-ion battery cathode.

image-based modeling↗

DOE OSTI2022

Generalized quasiharmonic approximation via space group irreducible derivatives

The quasiharmonic approximation (QHA) is the simplest nontrivial approximation for interacting phonons under constant pressure, bringing the effects of anharmonicity into temperature-dependent observables. Nonetheless, the QHA is often implemented with additional approximations due to the complexity of computing phonons under arbitrary strains, and the generalized QHA, which employs constant stress boundary conditions, has not been completely developed. In this work we formulate the generalized QHA, providing a practical algorithm for computing the strain state and other observables as a function of temperature and true stress. We circumvent the complexity of computing phonons under arbitrary strains by employing irreducible second-order displacement derivatives of the Born-Oppenheimer potential and their strain dependence, which are efficiently and precisely computed using the lone irreducible derivative approach. We formulate two complementary strain parametrizations: a discretized strain grid interpolation and a Taylor series expansion in symmetrized strain. We illustrate our approach by evaluating the temperature and pressure dependence of select elastic constants and the thermal expansion in thoria (ThO 2 ) using density functional theory with three exchange-correlation functionals. The QHA results are compared to our measurements of the elastic constant tensor using time-domain Brillouin scattering and inelastic neutron scattering. Our irreducible derivative approach simplifies the implementation of the generalized QHA, which will facilitate reproducible, data-driven applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

NASA NTRS1987

Displacements of the earth's surface due to atmospheric loading - Effects of gravity and baseline measurements

Atmospheric mass loads and deforms the earth's crust. By performing a convolution sum between daily, global barometric pressure data and mass loading Green's functions, the time dependent effects of atmospheric loading, including those associated with short-term synoptic storms, on surface point positioning measurements and surface gravity observations are estimated. The response for both an oceanless earth and an earth with an inverted barometer ocean is calculated. Load responses for near-coastal stations are significantly affected by the inclusion of an inverted barometer ocean. Peak-to-peak vertical displacements are frequently 15-20 mm with accompanying gravity perturbations of 3-6 micro Gal. Baseline changes can be as large as 20 mm or more. The perturbations are largest at higher latitudes and during winter months. These amplitudes are consistent with the results of Rabbel and Zschau (1985), who modeled synoptic pressure disturbances as Gaussian functions of radius around a central point. Deformation can be adequately computed using real pressure data from points within about 1000 km of the station. Knowledge of local pressure, alone, is not sufficient. Rabbel and Zschau's hypothesized corrections for these displacements, which use local pressure and the regionally averaged pressure, prove accurate at points well inland but are, in general, inadequate within a few hundred kilometers of the coast.

Van Dam, T. M.↗

NASA NTRS1992

Probabilistic structural analysis of space truss structures for nonuniform thermal environmental effects

A three-bay, space, cantilever truss is probabilistically evaluated to quantify the range of uncertainties of vibration frequencies and truss free end vertical displacements due to nonuniform thermal loads, applied loads and moments (mechanical loads), and combination of both. The truss members are assumed to be made from (1) aluminum tubes or (2) high modulus graphite-fiber/intermediate modulus epoxy-matrix composite tubes. Cumulative distribution function results show that certain combination of thermal loads with mechanical loads reduce the probabilistic vibration frequencies and increase the magnitude of the truss free end vertical displacements for the aluminum truss. However, for the composite truss, the thermal effects on the probabilistic vibration frequencies are not as substantial as that for an aluminum truss. This can be attributed to the large differences in the values of coefficient of thermal expansion. Finally, the sensitivities associated with the uncertainties in the structural, material and load variables (primative variables) are investigated. Results indicate that vibration frequencies and truss free end vertical displacements are sensitive to the uncertainties in spacial (geometry) variables as well as member modulus.

Pai, Shantaram S.↗

DOE OSTI2024

Defect-Limited Mobility and Defect Thermochemistry in Mixed A-Cation Tin Perovskites: (CH3NH3)1-xCsxSnBr3

Hybrid organic-inorganic semiconductors crystallizing in the perovskite structure present a significant opportunity for realizing defect-tolerant semiconductors. In this work, we examine the solid solution, (CH3NH3)1-xCsxSnBr3, and identify the thermochemistry dictating the intrinsic carrier concentrations and how local structural distortions influences this electronic behavior. This family of compounds exhibits the expected systematic trend in decreasing optical gap with the cesium to methylammonium A-site mixing ratio, x, in the visible region. However, the carrier mobility, as determined from time-resolved microwave conductivity measurements, trends opposite to that expected from first-principles calculations combined with Boltzmann scattering theory calculations of the carrier mobility. We propose that this is a result of increasing carrier scattering with x in (CH3NH3)1-xCsxSnBr3 due to a significant increase in the carrier density with x. By examining the dependence of the carrier density as a function of x, we infer the compositional-dependence of the average enthalpy and nonconfigurational entropy per defect. While diffraction reveals a cubic aristotypic perovskite structure as a function of x at room temperature, the pair distribution functions obtained from synchrotron X-ray total scattering from these materials are better described by symmetry-adapted displacement modes of the Pm3m crystal structure, which we attribute to a large degree of anharmonic dynamics of the atom positions. This analysis shows that CH3NH3+-rich compositions retain mostly linear Sn-Br-Sn bonding environments through the displacements, while Cs+-rich compositions lead to more significantly bent Sn-Br-Sn environments. We propose that these bent bonding arrangements in Cs-rich compositions yield a higher propensity for defect formation. This also provides a rationale for carrier trapping that gives rise to anomalous microwave transients. Together, these results provide insight into the structure-dynamics-properties relationships in this highly anharmonic system with high amplitude atomic motions and low defect formation energies.

defect thermochemistry↗

DOE OSTI2021

A duality-based coupling of Cosserat crystal plasticity and phase field theories for modeling grain refinement

High-rate deformation processes of metals entail intense grain refinement and special attention needs to be paid to capture the evolution of microstructure. In this article, a new formulation for coupling Cosserat crystal plasticity and phase field is developed. A common approach is to penalize kinematic incompatibility between lattice orientation and displacement-based elastic rotation. However, this can lead to significant solution sensitivity to the penalty parameter, resulting in low accuracy and convergence rates. To address these issues, a duality-based formulation is developed which directly imposes the rotational kinematic compatibility. A weak inf-sup-based skew-symmetric stress projection is introduced to suppress instabilities present in the dual formulation. An additional least squares stabilization is introduced to suppress the spurious lattice rotation with a suitable parameter range derived analytically and validated numerically. The required high-order continuity is attained by the reproducing kernel approximation. It is observed that equal order displacement-rotation-phase field approximations are stable, which allows efficient employment of the same set of shape functions for all independent variables. The proposed formulation is shown to yield superior accuracy and convergence with marginal parameter sensitivity compared to the penalty-based approach and successfully captures the dominant rotational recrystallization mechanism including block dislocation structures and grain boundary migration.

42 ENGINEERING↗

DOE OSTI2023

Expandable Li Percolation Network: The Effects of Site Distortion in Cation-Disordered Rock-Salt Cathode Material

Cation-disordered rock-salt (DRX) materials receive intensive attention as a new class of cathode candidates for high-capacity lithium-ion batteries (LIBs). Unlike traditional layered cathode materials, DRX materials have a three-dimensional (3D) percolation network for Li + transportation. The disordered structure poses a grand challenge to a thorough understanding of the percolation network due to its multiscale complexity. In this work, we introduce the large supercell modeling for DRX material Li 1.16 Ti 0.37 Ni 0.37 Nb 0.10 O 2 (LTNNO) via the reverse Monte Carlo (RMC) method combined with neutron total scattering. Here, through a quantitative statistical analysis of the material’s local atomic environment, we experimentally verified the existence of short-range ordering (SRO) and uncovered an element-dependent behavior of transition metal (TM) site distortion. A displacement from the original octahedral site for Ti 4+ cations is pervasive throughout the DRX lattice. Density functional theory (DFT) calculations revealed that site distortions quantified by the centroid offsets could alter the migration barrier for Li + diffusion through the tetrahedral channels, which can expand the previously proposed theoretical percolating network of Li. The estimated accessible Li content is highly consistent with the observed charging capacity. The newly developed characterization method here uncovers the expandable nature of the Li percolation network in DRX materials, which may provide valuable guidelines for the design of superior DRX materials.

25 ENERGY STORAGE↗

NASA NTRS1974

Relative motion of orbiting particles under the influence of perturbing forces. Volume 2: Analytical results

The mathematical developments carried out for this investigation are reported. In addition to describing and discussing the solutions which were acquired, there are compendia of data presented herein which summarize the equations and describe them as representative trace geometries. In this analysis the relative motion problems have been referred to two particular frames of reference; one which is inertially aligned, and one which is (local) horizon oriented. In addition to obtaining the classical initial values solutions, there are results which describe cases having applied specific forces serving as forcing functions. Also, in order to provide a complete state representation the speed components, as well as the displacements, have been described. These coordinates are traced on representative planes analogous to the displacement geometries. By this procedure a complete description of a relative motion is developed; and, as a consequence range rate as well as range information is obtained.

Eades, J. B., Jr.↗

NASA NTRS1975

Digital computer program DF1758 fully coupled natural frequencies and mode shapes of a helicopter rotor blade

The analytical techniques and computer program developed in the fully-coupled rotor vibration study are described. The rotor blade natural frequency and mode shape analysis was implemented in a digital computer program designated DF1758. The program computes collective, cyclic, and scissor modes for a single blade within a specified range of frequency for specified values of rotor RPM and collective angle. The analysis includes effects of blade twist, cg offset from reference axis, and shear center offset from reference axis. Coupled inplane, out-of-plane, and torsional vibrations are considered. Normalized displacements, shear forces and moments may be printed out and Calcomp plots of natural frequencies as a function of rotor RPM may be produced.

Bennett, R. L.↗

NASA NTRS1979

Ocean tidal excitation of polar motion

An investigation was conducted to ascertain the response of the rotational motion of the earth to forcing functions produced by the water mass redistribution due to the ocean tides. In particular, the components of displacement of the rotation axis at the surface of the Earth were obtained. The investigation also addressed the larger question concerning the possibility of excitation of the Chandler wobble of the earth. In general, the results show the existence of a polar wobble as a response to each of the components of the ocean tides. The magnitude of the polar displacement depends on two factors: the amplitude of the tidal component and its period. The maximum periodic contributions are: the Doodson's component number 055.565 with a period of 18.613 years and 50 cm of polar displacement, the annual component 056.544 with 37 cm of polar displacement and the semi-annual 057.555 with 32 cm. The tidal components with daily and semi-daily periods yield very small polar displacements of the order of 0.01 cm. The combined effect of all the periodic components can yield as much as 90 cm of pole displacements. The changes produced by the ocean tides in the products of inertia are periodic and regular, therefore, they cannot be the source of excitation of the Chandler wobble.

Sanchez, B. V.↗

NASA NTRS1979

NASTRAN processing at Johnson Space Center

The processing behavior of NASTRAN, a general purpose system of computer software used for solving engineering analysis problems by means of the finite element displacement method, is discussed. The host system for the NASTRAN is the Univac 1110, and the primary function is performing static and dynamic structural analyses of the Space Shuttle. The processing implications of the NASTRAN structural analysis are addressed and the current NASTRAN situation on the Univac 1110 is examined. The current NASTRAN workload is described and the effect of workload growth due to increased structure size is estimated. A cost and performance analysis is presented.

Richards, F. M., Jr.↗

NASA NTRS1982

Systematic generation of nonlinear discretized dynamic equilibrium equations of spinning cantilevers

General nonlinear discretized governing equations of motion of spinning elastic solids and structures are adjusted for the case of a spinning cantilever with initial geometric imperfections. Consideration is given to second degree nonlinearities in the strain-displacement and velocity-displacement relationships. Parameters of the discretization are developed to include the type and number of the coordinate functions used in the admissible trial solution in order to unify the discretization approaches associated with stationarity principles. The coordinate functions comprise both sets of continuous and piecewise continuous functions employed in the Rayleigh-Ritz and the finite element methods, respectively. Coefficient matrices are provided which contain the energy density expressions and which are adaptable to computer programming.

El-Essawi, M.↗

NASA NTRS1982

Fracture and crack growth in orthotropic laminates. Part 2: Experimental determination of internal damage growth in unidirectional boron/aluminum composite laminates

The fracture behavior of unidirectional boron/aluminum composite laminates is investigated in order to verify the results of mathematical models. These models predict the stresses and displacements of fibers and the amount of damage growth in a center-notched lamina as a function of the applied remote stress and the matrix and fiber material properties. The damage may take the form of longitudinal yielding and splitting in the matrix as well as stable transverse damage consisting of broken fibers and matrix yielding ahead of the notch. A brittle lacquer coating is used to detect the yielding in the matrix while X-ray techniques are used to detemine the number of broken fibers in the laminate. The notched strengths and the amounts of damage found in the experimental specimens agree well with those predicted by the mathematical model.

Goree, J. G.↗

NASA NTRS1985

An experimental study of three-dimensional shock wave/turbulent boundary layer interactions in a supersonic flow

Wall static pressure distributions, surface flow patterns, pitot pressures, and yaw angle profiles were measured in a skewed three-dimensional shock wave/turbulent boundary layer interaction region. The test section was axisymmetric with a constant diameter. The nominal freestream Mach number was 4. Upstream of the interaction, the boundary layer thickness was 0.31 in. (0.787 cm). The three-dimensional flow was produced by azimuthal pressure gradients which were generated by an 8-degree cone aligned with the primary flow direction, but with the cone axis displaced 0.3 in. (0.76 cm) from the channel centerline. The yaw angle was found to be a function of both the azimuthal angle and the distance from the beginning of the interaction. It was observed that yaw angle increased substantially near the wall. The maximum yaw angle for the whole flow field was obtained in the 90 degree azimuthal plane.

Chou, J. H.↗

DOE OSTI2024

A new approach to the evaluation and solution of the relativistic kinetic dispersion relation and verification with continuum kinetic simulation

Here, the present work describes a new approach to evaluation and root finding for the kinetic dispersion relation of Langmuir waves, which is central to the analytical understanding of collisionless damping in plasmas. The plasma dispersion function is solved to machine precision using direct integration in the complex plane in combination with an analytic evaluation of the residue to account for the deformation along the Landau contour. To efficiently attain machine precision, the contour is displaced in the complex plane prior to integration, and numerical subtleties related to the placement of the contour are discussed. The approach is generic in that it applies to arbitrary distribution functions, with the present manuscript focused on relativistic cases. Detailed verification of results via direct kinetic simulation in a variety of configuration space dimensions is also presented. Finally, the technique is applied to the challenging case of highly relativistic (i.e. extremely hot) plasmas. Here we show both qualitative agreement with prior work, as well as the disappearance of the Landau root which would have significant implication for real-life observation or experiment.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗