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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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At least 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Modeling wave propagation in elastic solids via high-order accurate implicit-mesh discontinuous Galerkin methods

Here, a high-order accurate implicit-mesh discontinuous Galerkin framework for wave propagation in single-phase and bi-phase solids is presented. The framework belongs to the embedded-boundary techniques and its novelty regards the spatial discretization, which enables boundary and interface conditions to be enforced with high-order accuracy on curved embedded geometries. High-order accuracy is achieved via high-order quadrature rules for implicitly-defined domains and boundaries, whilst a cell-merging strategy addresses the presence of small cut cells. The framework is used to discretize the governing equations of elastodynamics, written using a first-order hyperbolic momentum-strain formulation, and an exact Riemann solver is employed to compute the numerical flux at the interface between dissimilar materials with general anisotropic properties. The space-discretized equations are then advanced in time using explicit high-order Runge–Kutta algorithms. Several two- and three-dimensional numerical tests including dynamic adaptive mesh refinement are presented to demonstrate the high-order accuracy and the capability of the method in the elastodynamic analysis of single- and bi-phases solids containing complex geometries.

42 ENGINEERING↗
NASA NTRS1978

Equation of state fits to the lower mantle and outer core

The lower mantle and outer core are subjected to tests for homogeneity and adiabaticity. An earth model is used which is based on the inversion of body waves and Q-corrected normal-mode data. Homogeneous regions are found at radii between 5125 and 4825 km, 4600 and 3850 km, and 3200 and 2200 km. The lower mantle and outer core are inhomogeneous on the whole and are only homogeneous in the above local regions. Finite-strain and atomistic equations of state are fit to the homogeneous regions. The apparent convergence of the finite-strain relations is examined to judge their applicability to a given region. In some cases the observed pressure derivatives of the elastic moduli are used as additional constraints. The effect of minor deviations from adiabaticity on the extrapolations is also considered. An ensemble of zero-pressure values of the density and seismic velocities are found for these regions. The range of extrapolated values from these several approaches provides a measure of uncertainties involved.

Butler, R.↗
NASA NTRS2011

3D Modeling of Ultrasonic Wave Interaction with Disbonds and Weak Bonds

Ultrasonic techniques, such as the use of guided waves, can be ideal for finding damage in the plate and pipe-like structures used in aerospace applications. However, the interaction of waves with real flaw types and geometries can lead to experimental signals that are difficult to interpret. 3-dimensional (3D) elastic wave simulations can be a powerful tool in understanding the complicated wave scattering involved in flaw detection and for optimizing experimental techniques. We have developed and implemented parallel 3D elastodynamic finite integration technique (3D EFIT) code to investigate Lamb wave scattering from realistic flaws. This paper discusses simulation results for an aluminum-aluminum diffusion disbond and an aluminum-epoxy disbond and compares results from the disbond case to the common artificial flaw type of a flat-bottom hole. The paper also discusses the potential for extending the 3D EFIT equations to incorporate physics-based weak bond models for simulating wave scattering from weak adhesive bonds.

Leckey, C.↗
DOE OSTI2021

Shock Hugoniot of forged and additively manufactured 304L stainless steel

The purpose of this research was to measure the equation of state for additively manufactured (AM) and forged 304L stainless steel using a novel experimental technique. An understanding of the dynamic behavior of AM metals is integral to their timely adoption into various applications. The Hugoniot of the AM 304L was compared to that of the forged 304L at particle velocities where the material retains a two-wave structure. This comparison enabled us to determine the sensitivity of the equation of state to microstructure as varied due to processing. Our results showed that there was a measurable difference in the measured shock velocity between the AM and forged 304L. The shock wave velocities for the AM 304L were found to be ~3% slower than those for the forged 304L at similar particle velocities. To understand these differences, properties such as densities, sound speeds, and texture were measured and compared between the forged and AM materials. Our results showed that no measurable difference was found in these properties. Additionally, it is possible that differing elastic wave amplitudes may have an effect on shock velocity.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Convergent laser beam shapes: Unveiling the dynamics of Laser-induced elastic waves in composite materials

Overcoming the low signal-to-noise ratio (SNR) in laser ultrasonic testing of composite materials remains a significant challenge. Current efforts focus on enhancing SNR by inserting more energy into the material through temporal and/or spatial modulation of the laser beam. However, potential SNR improvements through wave convergence and wave energy manipulation have been overlooked. This paper addresses this gap by demonstrating the convergence of different wave types to a designated point and by showing the feasibility of directing absorbed laser energy into a specific wave type through spatial modulation of the laser beam. To achieve this, mathematical expressions for the convergent laser beams are derived. Various laser beam profiles are then introduced to the thermoelastic equations and solved using the finite element method. The sample under investigation is a transversely isotropic unidirectional carbon fiber reinforced plastic, characterized by anisotropic thermal expansion coefficients and thermal conductivities. Results reveal pronounced convergence of the intended wave type at the center due to laser beam shaping. This study showcases the ability to direct absorbed laser energy toward a specific wave type through spatial modulation of the laser beam and highlights the role of material anisotropy in energy focusing.

composite materials↗
NASA NTRS2007

Direct Calculation of the Scattering Amplitude Without Partial Wave Decomposition: Inclusion of Correlation Effects - III

In the first two papers in this series, we developed a method for studying electron-hydrogen scattering that does not use partial wave analysis. We constructed an ansatz for the wave function in both the static and static exchange approximations and calculated the full scattering amplitude. Here we go beyond the static exchange approximation, and include correlation in the wave function via a modified polarized orbital. This correlation function provides a significant improvement over the static exchange approximation: the resultant elastic scattering amplitudes are in very good agreement with fully converged partial wave calculations for electron-hydrogen scattering. A fully variational modification of this approach is discussed in the conclusion of the article Popular summary of Direct calculation of the scattering amplitude without partial wave expansion. III ....." by J. Shertzer and A. Temkin. In this paper we continue the development of In this paper we continue the development of a new approach to the way in which researchers have traditionally used to calculate the scattering cross section of (low-energy) electrons from atoms. The basic mathematical problem is to solve the Schroedinger Equation (SE) corresponding the above physical process. Traditionally it was always the case that the SE was reduced to a sequence of one-dimensional (ordinary) differential equations - called partial waves which were solved and from the solutions "phase shifts" were extracted, from which the scattering cross section was calculated.

Shertzer, Janine↗
DOE OSTI2024

coh3

CoH3 (CoH ver.3) is an optical model, exciton pre-equilibrium, and Hauser-Feshbach statistical model code, which calculates nuclear reaction cross sections for medium to heavy targets in the keV to MeV energy region. This program is written in standard C++, divided into approximately 200 source and header files. CoH solves the Schroedinger equation for optical potentials defined in the code, and calculates differential elastic scattering, reaction, and total cross sections, for neutron, proton, deuteron, triton, 3He, and alpha-particle. Deformed optical potentials are solved with the coupled-channels method, in which the ground state rotational band members, or vibrational phonon states are coupled. The optical model gives particle transmission coefficients that are fed into the statistical model calculations. CoH includes the pre-equilibrium model (exciton model), the direct/semidirect capture model, and the multi-stage Hauser-Feshbach statistical decay with width fluctuation correction based on the Gaussian orthogonal ensemble. For weakly coupled levels, the DWBA (distorted wave Born approximation) method is used to calculate the direct inelastic scattering process to the excited states.

Kawano, Toshihiko↗
NASA NTRS1972

Application of various elastic thin shell theories to blood flow problems

Some existing theories, on elastic thin shells, are reviewed to ascertain their influence on the computation of phase velocities in fluid filled cylinders representing certain aspects of the behavior of arteries and veins in vivo. For physiologically meaningful parameters, including moderately large in plane prestrain that occurs in mammals, the results suggest that with one exception, the small differences in the formulations exercise little influence on the phase velocities. However, it is demonstrated that inclusion of the forces induced by the rotation of the hydrostatic pressure is essential or significantly erroneous torsional wave speeds result. Also the introduction of moderate implane prestrains that are present in living mammals is shown to lead to nonselfadjoint differential equations of motion, whose biorthogonal eigenvectors differ slightly from each other.

Source record↗
NASA NTRS1990

Vibration and wave propagation characteristics of multisegmented elastic beams

Closed form analytical solutions are derived for the vibration and wave propagation of multisegmented elastic beams. Each segment is modeled as a Timoshenko beam with possible inclusion of material viscosity, elastic foundation and axial forces. Solutions are obtained by using transfer matrix methods. According to these methods formal solutions are first constructed which relate the deflection, slope, moment and shear force of one end of the individual segment to those of the other. By satisfying appropriate continuity conditions at segment junctions, a global 4x4 matrix results which relates the deflection, slope, moment and shear force of one end of the beam to those of the other. If any boundary conditions are subsequently invoked on the ends of the beam one gets the appropriate characteristic equation for the natural frequencies. Furthermore, by invoking appropriate periodicity conditions the dispersion relation for a periodic system is obtained. A variety of numerical examples are included.

Nayfeh, Adnan H.↗
DOE OSTI2021

Model of ramp compression of diamond from ab initio simulations

Ramp compression experiments characterize high-pressure states of matter at temperatures well below those present in shock compression. However, because temperature is typically not directly measured during ramp compression, it is uncertain how much heating occurs under these shock-free conditions. Here, we performed a series of ab initio simulations on carbon in order to match the density-stress measurements of Smith et al. [Smith et al., Nature (London) 511, 330 (2014)]. We considered isotropically as well as uniaxially compressed solid carbon in the diamond and BC8 phases, with and without defects, as well as liquid carbon. Our idealized model ascribes heating during ramp compression to an initially uniaxially compressed cell transforming isochorically into an isotropically (hydrostatic equivalent) compressed state having lower internal energy, hence higher temperature so as to conserve energy. Multiple such heating events can occur during a single ramp experiment, leading to higher temperatures than with isentropic compression. Comparison with experiments shows that heating alone does not explain the equation of state measurements on diamond, instead implying that a significant uniaxial stress component remains present at high compression. The temperature predictions of our ramp compression model remain to be verified with future laboratory measurements.

58 GEOSCIENCES↗
NASA NTRS1985

Numerical Techniques for Scattering from Submerged Objects

To represent the final results in terms of matrices, one expands all appropriate physical quantities in terms of partial wave basis states. This includes expansions for the incident and scattered fields and the surface quantities. The method then utilizes the Huygen-Poincare integral representation for both the exterior and interior solutions, leading to the required matrix equations. One thus deals with matrix equations, the complexity of which depends on the nature of the problem. It is shown that in general a transition matrix T can be obtained relating the incident field A with the scattered field f having the form T = PQ(-1), where f = TA. The structure of Q can be quite complicated and can itself be composed of other matrix inversions such as arise from layered objects. Recent improvements in this method appropriate for a variety of physical problems are focused on, and on their implementation. Results are outlined from scattering simulations for very elongated submerged objects and resonance scattering from elastic solids and shells. The final improvement concerns eigenfunction expansions of surface terms, arising from solution of the interior problem, obtained via a preconditioning technique. This effectively reduces the problem to that of obtaining eigenvalues of a Hermitian operator. This formalism is reviewed for scattering from targets that are rigid, sound-soft, acoustic, elastic solids, elastic shells, and elastic layered objects. Two sets of the more interesting results are presented. The first concerns scattering from elongated objects, and the second to thin elastic spheroids.

Werby, M. F.↗
DOE OSTI2023

The colliding planar shocks platform to study warm dense matter at the National Ignition Facility

We have developed an experimental platform at the National Ignition Facility that employs colliding planar shocks to produce warm dense matter with uniform conditions and enable high-precision equation of state measurements. The platform uses simultaneous x-ray Thomson scattering and x-ray radiography to measure the density, electron temperature, and ionization state in warm dense matter. The experimental platform is designed to create a large volume of uniform plasma (approximately 700×700×150μm 3 ) at pressures approaching 100 Mbar and minimize the distribution of plasma conditions in the x-ray scattering volume, significantly improving the precision of the measurements. Here, in this study, we present the experimental design of the platform and compare hydrodynamic simulations to x-ray radiography data from initial experiments studying hydrocarbons, producing uniform densities within ±25% of the average probed condition. We show that the platform creates a homogeneous plasma that can be characterized using x-ray Thomson scattering. Thus, the new platform enables accurate measurements of plasma conditions necessary to test models for the equation of state and ionization potential depression in the warm dense matter regime.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

ABINIT: Overview and focus on selected capabilities

ABINIT is probably the first electronic-structure package to have been released under an open-source license about 20 years ago. It implements density functional theory, density-functional perturbation theory (DFPT), many-body perturbation theory (GW approximation and Bethe–Salpeter equation), and more specific or advanced formalisms, such as dynamical mean-field theory (DMFT) and the “temperature-dependent effective potential” approach for anharmonic effects. Relying on planewaves for the representation of wavefunctions, density, and other space-dependent quantities, with pseudopotentials or projector-augmented waves (PAWs), it is well suited for the study of periodic materials, although nanostructures and molecules can be treated with the supercell technique. The present article starts with a brief description of the project, a summary of the theories upon which ABINIT relies, and a list of the associated capabilities. It then focuses on selected capabilities that might not be present in the majority of electronic structure packages either among planewave codes or, in general, treatment of strongly correlated materials using DMFT; materials under finite electric fields; properties at nuclei (electric field gradient, Mössbauer shifts, and orbital magnetization); positron annihilation; Raman intensities and electro-optic effect; and DFPT calculations of response to strain perturbation (elastic constants and piezoelectricity), spatial dispersion (flexoelectricity), electronic mobility, temperature dependence of the gap, and spin-magnetic-field perturbation. The ABINIT DFPT implementation is very general, including systems with van der Waals interaction or with noncollinear magnetism. Community projects are also described: generation of pseudopotential and PAW datasets, high-throughput calculations (databases of phonon band structure, second-harmonic generation, and GW computations of bandgaps), and the library libpaw. ABINIT has strong links with many other software projects that are briefly mentioned.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2010

Physics-Based Methods of Failure Analysis and Diagnostics in Human Space Flight

The Integrated Health Management (IHM) for the future aerospace systems requires to interface models of multiple subsystems in an efficient and accurate information environment at the earlier stages of system design. The complexity of modern aeronautic and aircraft systems (including e.g. the power distribution, flight control, solid and liquid motors) dictates employment of hybrid models and high-level reasoners for analysing mixed continuous and discrete information flow involving multiple modes of operation in uncertain environments, unknown state variables, heterogeneous software and hardware components. To provide the information link between key design/performance parameters and high-level reasoners we rely on development of multi-physics performance models, distributed sensors networks, and fault diagnostic and prognostic (FD&P) technologies in close collaboration with system designers. The main challenges of our research are related to the in-flight assessment of the structural stability, engine performance, and trajectory control. The main goal is to develop an intelligent IHM that not only enhances components and system reliability, but also provides a post-flight feedback helping to optimize design of the next generation of aerospace systems. Our efforts are concentrated on several directions of the research. One of the key components of our strategy is an innovative approach to the diagnostics/prognostics based on the real time dynamical inference (DI) technologies extended to encompass hybrid systems with hidden state trajectories. The major investments are into the multiphysics performance modelling that provides an access of the FD&P technologies to the main performance parameters of e.g. solid and liquid rocket motors and composite materials of the nozzle and case. Some of the recent results of our research are discussed in this chapter. We begin by introducing the problem of dynamical inference of stochastic nonlinear models and reviewing earlier results. Next, we present our analytical approach to the solution of this problem based on the path integral formulation. The resulting algorithm does not require an extensive global search for the model parameters, provides optimal compensation for the effects of dynamical noise, and is robust for a broad range of dynamical models. In the following Section the strengths of the algorithm are illustrated illustrated by inferring the parameters of the stochastic Lorenz system and comparing the results with those of earlier research. Next, we discuss a number of recent results in application to the development of the IHM for aerospace system. Firstly, we apply dynamical inference approach to a solution of classical three tank problems with mixed unknown continuous and binary parameters. The problem is considered in the context of ground support system for filling fuel tanks of liquid rocket motors. It is shown that the DI algorithm is well suited for successful solution of a hybrid version of this benchmark problem even in the presence of additional periodic and stochastic perturbation of unknown strength. Secondly, we illustrate our approach by its application to an analysis of the nozzle fault in a solid rocket motor (SRM). The internal ballistics of the SRM is modelled as a set of one-dimensional partial differential equations coupled to the dynamics of the propellant regression. In this example we are specifically focussed on the inference of discrete and continuous parameters of the nozzle blocking fault and on the possibility of an application of the DI algorithm to reducing the probability of "misses" of an on-board FD&P for SRM. In the next section re-contact problem caused by first stage/upper stage separation failure is discussed. The reaction forces imposed on the nozzle of the upper stage during the re-contact and their connection to the nozzle damage and to the thrust vector control (TVC) signal are obtained. It is shown that transient impact induced torquean be modelled as a response of an effective damped oscillator. A possible application of the DI algorithm to the inference of damage parameters and predicting fault dynamics ahead of time using the actuator signal is discussed. Finally, we formulate Bayesian inferential framework for development of the IHM system for in-flight structural health monitoring (SHM) of composite materials. We consider the signal generated by piezoelectric actuator mounted on composite structure generating elastic waves in it. The signal received by the sensor is than compared with the baseline signal. The possibility of damage inference is discussed in the context of development of the SHM.

Smelyanskiy, Vadim N.↗
DOE OSTI2022

Dynamic Strength of Iron at High Pressures and Strain Rates

Accurate modeling of meteorite impacts, and deformation of planetary cores require characterization of the flow strength and in-elasticity of iron in its different phases. In this letter, we investigate the flow strength of both the ambient α-phase and high-pressure ϵ-phase of iron at strain-rates of 1 × 10 5 s –1 and pressures up to 42 GPa using high pressure - pressure shear plate impact experiments. We report the strength of the ϵ-iron to be significantly higher than α-phase but consequently one order smaller than the previously reported dynamic strength at high pressures. As a result, the complete stress-strain response of the ϵ-phase is reported for the first time.

36 MATERIALS SCIENCE↗
NASA NTRS2016

First-Principles Modeling Of Electromagnetic Scattering By Discrete and Discretely Heterogeneous Random Media

A discrete random medium is an object in the form of a finite volume of a vacuum or a homogeneous material medium filled with quasi-randomly and quasi-uniformly distributed discrete macroscopic impurities called small particles. Such objects are ubiquitous in natural and artificial environments. They are often characterized by analyzing theoretically the results of laboratory, in situ, or remote-sensing measurements of the scattering of light and other electromagnetic radiation. Electromagnetic scattering and absorption by particles can also affect the energy budget of a discrete random medium and hence various ambient physical and chemical processes. In either case electromagnetic scattering must be modeled in terms of appropriate optical observables, i.e., quadratic or bilinear forms in the field that quantify the reading of a relevant optical instrument or the electromagnetic energy budget. It is generally believed that time-harmonic Maxwell's equations can accurately describe elastic electromagnetic scattering by macroscopic particulate media that change in time much more slowly than the incident electromagnetic field. However, direct solutions of these equations for discrete random media had been impracticable until quite recently. This has led to a widespread use of various phenomenological approaches in situations when their very applicability can be questioned. Recently, however, a new branch of physical optics has emerged wherein electromagnetic scattering by discrete and discretely heterogeneous random media is modeled directly by using analytical or numerically exact computer solutions of the Maxwell equations. Therefore, the main objective of this Report is to formulate the general theoretical framework of electromagnetic scattering by discrete random media rooted in the Maxwell- Lorentz electromagnetics and discuss its immediate analytical and numerical consequences. Starting from the microscopic Maxwell-Lorentz equations, we trace the development of the first principles formalism enabling accurate calculations of monochromatic and quasi-monochromatic scattering by static and randomly varying multiparticle groups. We illustrate how this general framework can be coupled with state-of-the-art computer solvers of the Maxwell equations and applied to direct modeling of electromagnetic scattering by representative random multi-particle groups with arbitrary packing densities. This first-principles modeling yields general physical insights unavailable with phenomenological approaches. We discuss how the first-order-scattering approximation, the radiative transfer theory, and the theory of weak localization of electromagnetic waves can be derived as immediate corollaries of the Maxwell equations for very specific and well-defined kinds of particulate medium. These recent developments confirm the mesoscopic origin of the radiative transfer, weak localization, and effective-medium regimes and help evaluate the numerical accuracy of widely used approximate modeling methodologies.

Michael I Mishchenko↗
DOE OSTI2024

Ab initio leading order effective potential for elastic proton scattering based on the symmetry-adapted no-core shell model

Calculating microscopic optical potentials for elastic scattering at intermediate energies from light nuclei in an ab initio fashion within the Watson expansion has been established within the last few years. Based on the Watson expansion of the multiple scattering series, we employ a nonlocal translationally invariant nuclear density derived within the symmetry-adapted no-core shell model (SA-NCSM) framework from a chiral next-to-next-to-leading order (NNLO) nucleon-nucleon interaction and the very same interaction for a consistent full-folding calculation of the effective (optical) potential for nucleon-nucleus scattering for medium-heavy nuclei. The leading order effective (optical) folding potential is computed by integrating over a translationally invariant SA-NCSM one-body scalar density, spin-projected momentum distribution, and the Wolfenstein amplitudes 𝐴, 𝐶, and 𝑀. The resulting nonlocal potentials serve as input for a momentum space Lippmann-Schwinger equation. In the SA-NCSM, the model space is systematically up-selected using Sp⁡(3,ℝ) symmetry considerations. For the light nucleus of 6 He, we establish a systematic selection scheme in the SA-NCSM for scattering observables. Then, we apply this scheme to calculations of scattering observables, such as differential cross sections, analyzing powers, and spin rotation functions for elastic proton scattering from 20 Ne and 40 Ca in the energy regime between 65 and 200 MeV, and compare to available data. Furthermore, our calculations show that the leading order effective nucleon-nucleus potential in the Watson expansion of multiple scattering theory obtained from an up-selected SA-NCSM model space describes 40 Ca elastic scattering observables reasonably well to about 60 degrees in the center-of-mass frame, which coincides roughly with the validity of the NNLO chiral interaction used to calculate both the nucleon-nucleon amplitudes and the one-body scalar and spin nuclear densities.

Ab initio calculations↗