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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 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Elevated temperature contact creep and friction of nickel-based superalloys using machine learning assisted finite element analysis

Nickel-based superalloys with superior thermochemical, mechanical, and tribological properties are highly utilized for critical components in several high temperature applications such as gas turbines and nuclear reactors. Inconel 617, in particular, is considered as one of the main candidate superalloys for tribo-components in very-high-temperature gas-cooled nuclear reactors. Recent findings indicate that this alloy grows unique surface oxide especially in a high-temperature helium environment with distinctive wear, friction, and contact properties. Here, this study investigates the high temperature contact area evolution and frictional behavior of Inconel 617 using finite element simulation and provides predictive models for the contact and friction performance at different normal loads, dwell times, and temperatures. High temperature helium-aged Inconel 617 top surface properties (up to 600 °C) are utilized along with a single asperity-based deformable elastic-plastic contact model under combined normal and tangential loading. Machine learning is used to assist the finite element results and to predict friction coefficient as well as contact area evolution. While a small difference is observed in the instantaneous friction coefficient (no dwell time) for all temperatures, friction coefficient increases considerably with dwell time. This shows that the effect of contact creep for longer dwell times significantly dominants the effect of high temperature variation in basic mechanical parameters such as modulus and yield strength. It is found that increasing temperature and dwell times lead to the friction coefficient increase, yet the dominance of dwell time effects decreases at higher temperatures and loads. While the analysis is presented for Inconel 617, the methodology is easy to be generalized and can be applied to other HT alloys.

36 MATERIALS SCIENCE↗
NASA NTRS1992

A geometrically nonlinear theory of elastic plates

A set of kinematic and intrinsic equilibrium equations is derived for plates undergoing large deflection and rotation but with small strain. The large rotation is treated by the general finite rotation of a frame in which the material points that are originally along a normal line in the undeformed plate undergo only small displacements. Exact intrinsic virtual strain-displacement relations are derived; using a reduced 2-D strain energy function from which the warping has been systematically eliminated, a set of intrinsic equilibrium equations follows. It is demonstrated that only five equilibrium equations can be derived in this way, because the component of virtual rotation about the normal is not independent. These equations include terms which cannot be obtained without the use of a finite rotation vector which contains three nonzero components. These extra terms correspond to the difference of in-plane shear stress resultants in other theories.

Hodges, Dewey H.↗
NASA NTRS1995

Computing supernova collapse to neutron stars and black holes

We present a new numerical code for spherical hydrodynamics in general relativity. The code can handle gravitational collapse to a neutron star or to a black hole without the appearance of singularities. Moreover, the variables and equations in the code are very similar to those appearing in traditional Lagrangian supernova codes. Any such existing code can thus be easily adapted to treat collapse where the final fate is uncertain and may be either a neutron star or a black hole. The code is based on the formulation of Hernandez & Misner, in which retarded time is used as coordinate. This prevents the computational grid from penetrating inside any black hole that may form. We present the equations and a complete finite difference scheme for the adiabatic evolution of a fluid that obeys a gamma-law equation of state. We summarize the results of several testbed calculations performed to check our code. We also give the transformation of the analytic Oppenheimer-Snyder solution for homogeneous dust collapse to our coordinate system.

Baumgarte, Thomas W.↗
DOE OSTI2018

Finite-time response function of uniformly accelerated entangled atoms

We examine the transition probability from the ground state to a final entangled state of a system of uniformly accelerated two-level atoms weakly coupled with a massless scalar field in Minkowski vacuum. Using time-dependent perturbation theory we evaluate the finite-time response function and we identify the mutual influence of atoms via the quantum field as a coherence agent in each response function terms. The associated thermal spectrum perceived by the atoms is found for a finite time interval. By considering modifications of specific parameters of our setup, we also analyze how the transition probabilities are affected by the smoothness of the switching of the atom–field coupling. In addition, we study the mean life of the symmetric maximally entangled state for different accelerations. Our calculations reveal that smooth switching is more efficient than sudden switching concerning the reduction of the decay of the entangled state. The possible relevance of our results is discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

r-Process nucleosynthesis from three-dimensional jet-driven core-collapse supernovae with magnetic misalignments

We investigate r-process nucleosynthesis in three-dimensional general relativistic magnetohydrodynamic simulations of jet-driven supernovae resulting from rapidly rotating, strongly magnetized core-collapse. We explore the effect of misaligning the pre-collapse magnetic field with respect to the rotation axis by performing four simulations: one aligned model and models with 15°, 30°, and 45° misalignments. The simulations we present employ a microphysical finite-temperature equation of state and a leakage scheme that captures the overall energetics and lepton number exchange due to post-bounce neutrino emission and absorption. We track the thermodynamic properties of the ejected material with Lagrangian tracer particles and analyse its composition with the nuclear reaction network SKYNET. By using different neutrino luminosities in post-processing the tracer data with SKYNET, we constrain the impact of uncertainties in neutrino luminosities. We find that, for the aligned model considered here, the use of an approximate leakage scheme results in neutrino luminosity uncertainties corresponding to a factor of 100–1000 uncertainty in the abundance of third peak r-process elements. Our results show that for misalignments of 30° or less, r-process elements are robustly produced as long as neutrino luminosities are reasonably low (≲ 5 × 10 52 erg s -1 ). For a more extreme misalignment of 45°, we find the production of r-process elements beyond the second peak significantly reduced. We conclude that robust r-process nucleosynthesis in magnetorotational supernovae requires a progenitor stellar core with a large poloidal magnetic field component that is at least moderately (within ~30°) aligned with the rotation axis.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1956

Extrapolation techniques applied to matrix methods in neutron diffusion problems

A general matrix method is developed for the solution of characteristic-value problems of the type arising in many physical applications. The scheme employed is essentially that of Gauss and Seidel with appropriate modifications needed to make it applicable to characteristic-value problems. An iterative procedure produces a sequence of estimates to the answer; and extrapolation techniques, based upon previous behavior of iterants, are utilized in speeding convergence. Theoretically sound limits are placed on the magnitude of the extrapolation that may be tolerated. This matrix method is applied to the problem of finding criticality and neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron fluxes in a nuclear reactor with control rods. The two-dimensional finite-difference approximation to the two-group neutron-diffusion equations is treated. Results for this example are indicated.

Mccready, Robert R↗
NASA NTRS2020

Solution of the Nonlinear High-Fidelity Generalized Method of Cells Micromechanics Relations via Order-Reduction Techniques

The High-Fidelity Generalized Method of Cells (HFGMC) is one technique, distinct from traditional finite element approaches, for accurately simulating nonlinear composite material behavior. In this work, the HFGMC global system of equations for doubly-periodic repeating unit cells with nonlinear constituents has been reduced in size through the novel application of a Petrov-Galerkin Proper Orthogonal Decomposition order-reduction scheme in order to improve its computational efficiency. Order-reduced models of an E-glass/Nylon 12 composite led to a 4.8 to 6.3x speedup in the equation assembly/solution runtime while maintaining model accuracy. This corresponded to a 21 to 38 percent reduction in total runtime. The significant difference in assembly/solution and total runtimes was attributed to the evaluation of integration point inelastic field quantities; this step was identical between the unreduced and order-reduced models. Nonetheless, order-reduced techniques offer the potential to significantly improve the computational efficiency of multiscale calculations.

Ricks, Trenton M.↗
NASA NTRS2024

Filament Wound Composite Analysis Using the NASA Multiscale Analysis Tool (NASMAT) and Finite Element Analysis

Fiber reinforced composite materials, owing to their tailorable thermomechanical and functional properties, allow one to produce a structure that is stronger, stiffer, and lighter than its metal counterpart while performing the same function, yielding a more efficient structure. This not only allows for the improvement of current technologies like aircraft structures, but also enables new technologies like gaseous hydrogen storage for mobility applications, which are otherwise impractical when manufactured using traditional metals due to weight and space restrictions or material embrittlement. However, the use of composites imposes greater design and manufacturing challenges on an engineer, since they are heterogenous, having a distinct structure across multiple length scale, behave generally anisotropically at the structural level and require complex manufacturing and processing methods. Capturing this complex behavior requires detailed numerical simulations, including the modeling of microstructural features like undulations, voids, and fiber alignment. In this paper, multiple repeating unit cells (RUCs), representing filament wound composites, are developed (via a script provided in the Appendix) and analyzed. The refinement of these RUCs is varied, and the analyses are performed using both the Abaqus finite element software and the NASA Multiscale Analysis Tool (NASMAT). A study is undertaken to compare the predicted effective elastic properties of the wound RUC to a laminate representation of the wound RUC, which neglects the undulations. Additionally, two different sets of periodic boundary conditions (PBCs) have been examined. One approximates the real boundary conditions using a standard approach and the other represents the PBCs exactly through the use of an offset. Lastly, a comparison of the local elastic stress fields is made among the models and approaches. Since wound structures are often approximated as laminated structures, it is important to understand the degree to which this assumption is valid, namely by first comparing the elastic constants and local elastic fields. This will provide, on the one hand, information concerning the bulk mechanical behavior and, on the other hand, insights concerning local load distributions and likely damage initiation sites.

Composites↗
DOE OSTI2024

Bridging the time scale in exascale computing of chemical systems (Final Technical Report)

This report summarizes the work carried out with support of the United States Department of Energy under Award DE-SC0019441. The theme of this project was to develop and apply methods that allowed for the acceleration of atomistic calculations, particularly in challenging areas such as multiphase systems, electrified interfaces, uncertainty estimation, and applications requiring chemical accuracy, which tend to be applications where simulation time is severely bottlenecked by the computational time requirements. Much of the focus was on the application of emerging machine-learning methodologies, although a wide range of methodologies were employed. This report has two major sections. The first focuses on the methodological advances themselves. Within this part, we report a number of major advances, a few examples of which are described here. We report the first machine-learning scheme for the acceleration of electronically grand-canonical calculations (that is, those applicable to electrochemistry). We report new methods of performing transfer learning, in which physics-based priors can be used to provide predictions, often with uncertainty estimates, of images well outside of training sets; we also offer ways to fine-tune these transfer-learning models. We provide a new systematic means to generate and apply minimal training data sets to very large (10,000’s of atoms) systems, with only small training sets appropriate for electronic structure. We developed new methodologies to integrate surface vibrations into surface adsorption calculations. We made advances to the applicability of diffusion Monte Carlo methods to allow (learned) force prediction, finite-size error correction, and force-free means of searching for transition states. We integrated machine-learned atomistic predictions into mechanism generation codes. Additionally, we released new software including AmpTorch, a modernized version of our original atomistic machine-learning code Amp. The second part of this report focuses on the scientific applications that accompanied, and were often enabled by, the methodological advances described earlier. A few examples follow, but full details are in the individual chapters of the report. For example, we developed a general theory of phonon-induced friction on molecular adsorbates. We showed fundamentally how solvent influences the adsorption and desorption process and how it differs from the processes typically involved at the solid–gas interface, making aqueous-phase and electrocatalysis different from traditional thermocatalysis. We examined how metal–insulator and magnetic transitions can be probed, and accelerated exciton dynamics via Frenkel Hamiltonian parameters. We showed that the nearsighted force-training approach, developed within this project, can predict both the stability and reactivity of large nanoparticles, and can also lead to insights on catalyst coverage on binding energies and entropies. These applied studies, which generally integrated with our method development, allowed us to push forward the theoretical understanding of several reaction classes.

08 HYDROGEN↗
DOE OSTI2022

Plasma thermal transport with a generalized 8-moment distribution function

Moment equations that model plasma transport require an ansatz distribution function to close the system of equations. The resulting transport is sensitive to the specific closure used, and several options have been proposed in the literature. Two different 8-moment distribution functions can be generalized to form a single-parameter family of distribution functions. The transport coefficients resulting from this generalized distribution function can be expressed in terms of this free parameter. This provides the flexibility of matching the 8-moment model to some validating result at a given magnetization value, such as Braginskii’s transport, or the more recent results of Davies et al. [Physics of Plasma, 28, 012305 (2021)]. Here, this process can be thought of as solving for the 8-moment distribution function that matches the value of a transport coefficient given by a Chapman-Enskog expansion, while retaining the improved physical properties, such as finite propagation speeds and time dependence which belong to the hyperbolic moment models. Since the presented generalized distribution function only has a single free parameter, only a single transport coefficient can be matched at a time. However, this generalization process may be extended to provide multiple free parameters. The focus of this Brief Communication is on the dramatically improved thermal conductivity of the proposed model compared to the two base moment models.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Application of the method of integral relations to laminar boundary layers in three dimensions

The method of integral relations is extended to general three-dimensional compressible laminar boundary layer flows. The transformation employed to transform the basic three-dimensional compressible boundary layer equations into quasi-incompressible form is an extension of the Howarth transformation. The resulting system of differential equations is integrated numerically by the method of integral relations as proposed by Dorodnitsyn. To demonstrate the accuracy of the method, it is applied to calculation of the parabolic flow over a flat plate and the boundary flow over an infinite yawed cylinder, for which solutions are known. It is then applied to the flow over a flat plate disturbed by a cylinder normal to the plate, for which a finite-difference solution is available for comparison. It is finally applied to calculating the crossflow velocity variation for supersonic flow over a swept wedge.

Holt, M.↗
NASA NTRS1983

Transformation of two and three-dimensional regions by elliptic systems

Finite difference methods for composite grids were analyzed. It was observed that linear interpolation between grids would suffice only where low order accuracy was required. In the context of fluid flow, this would be in regions where the flow was essentially free stream. Higher order interpolation schemes were also investigated. The well known quadratic and cubic interpolating polynomials would increase the formal accuracy of the overall numerical algorithm. However, it can also be shown that the stability of the algorithm may be adversely affected. Further numerical results are needed in order to assess the nature of this instability induced by the interpolation procedure. Finally, error analysis and the order of difference expressions on general curvilinear coordinates are discussed.

Thompson, J. F.↗
NASA NTRS2004

Stratospheric Impact of Varying Sea Surface Temperatures

The Finite-Volume General Circulation Model (FVGCM) has been run in 50 year simulations with the: 1) 1949-1999 Hadley Centre sea surface temperatures (SST), and 2) a fixed annual cycle of SSTs. In this presentation we first show that the 1949-1999 FVGCM simulation produces a very credible stratosphere in comparison to an NCEP/NCAR reanalysis climatology. In particular, the northern hemisphere has numerous major and minor stratospheric warming, while the southern hemisphere has only a few over the 50-year simulation. During the northern hemisphere winter, temperatures are both warmer in the lower stratosphere and the polar vortex is weaker than is found in the mid-winter southern hemisphere. Mean temperature differences in the lower stratosphere are shown to be small (less than 2 K), and planetary wave forcing is found to be very consistent with the climatology. We then will show the differences between our varying SST simulation and the fixed SST simulation in both the dynamics and in two parameterized trace gases (ozone and methane). In general, differences are found to be small, with subtle changes in planetary wave forcing that lead to reduced temperatures in the SH and increased temperatures in the NH.

Newman, Paul A.↗
DOE OSTI2021

Variational Self-Consistent Theory for Beam-Loaded Cavities

A new variational theory is presented for beam loading in microwave cavities. The beam{field interaction is formulated as a dynamical interaction whose stationarity according to Hamilton’s principle will naturally lead to steady-state solutions that indicate how a cavity’s resonant frequency, Q and optimal coupling coefficient will detune as a result of the beam loading. A driven cavity Lagrangian is derived from first principles, including the effects of cavity wall losses, input power and beam interaction. The general formulation is applied to a typical klystron input cavity to predict the appropriate detuning parameters required to maximize the gain (or modulation depth) in the average Lorentz factor boost, (Δ γ). Numerical examples are presented, showing agreement with the general detuning trends previously observed in the literature. The developed formulation carries several advantages for beam-loaded cavity structures. It provides a self-consistent model for the dynamical (nonlinear) beam{field interaction, a procedure for maximizing gain under beam-loading conditions, and a useful set of parameters to guide cavity-shape optimization during the design of beam-loaded systems. Enhanced clarity of the physical picture underlying the problem seems to be gained using this approach, allowing straightforward inclusion or exclusion of different field configurations in the calculation and expressing the final results in terms of measurable quantities. Two field configurations are discussed for the klystron input cavity, using finite magnetic confinement or no confinement at all. Formulating the problem in a language that is directly accessible to the powerful techniques found in Hamiltonian dynamics and canonical transformations may potentially carry an additional advantage in terms of analytical computational gains, under suitable conditions

43 PARTICLE ACCELERATORS↗
DOE OSTI2019

Probing Ground-State Phase Transitions through Quench Dynamics

The study of quantum phase transitions requires the preparation of a many-body system near its ground state, a challenging task for many experimental systems. The measurement of quench dynamics, on the other hand, is now a routine practice in most cold atom platforms. Here we show that quintessential ingredients of quantum phase transitions can be probed directly with quench dynamics in integrable and nearly integrable systems. As a paradigmatic example, we study global quench dynamics in a transverse-field Ising model with either short-range or long-range interactions. When the model is integrable, we discover a new dynamical critical point with a nonanalytic signature in the short-range correlators. The location of the dynamical critical point matches that of the quantum critical point and can be identified using a finite-time scaling method. We extend this scaling picture to systems near integrability and demonstrate the continued existence of a dynamical critical point detectable at prethermal timescales. We quantify the difference in the locations of the dynamical and quantum critical points away from (but near) integrability. Thus, we demonstrate that this method can be used to approximately locate the quantum critical point near integrability. Furthermore, the scaling method is also relevant to experiments with finite time and system size, and our predictions are testable in near-term experiments with trapped ions and Rydberg atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1975

Steady and Oscillatory, Subsonic and Supersonic, Aerodynamic Pressure and Generalized Forces for Complex Aircraft Configurations and Applications to Flutter

A general method for analyzing aerodynamic flows around complex configurations is presented. By applying the Green function method, a linear integral equation relating the unknown, small perturbation potential on the surface of the body, to the known downwash is obtained. The surfaces of the aircraft, wake and diaphragm (if necessary) are divided into small quadrilateral elements which are approximated with hyperboloidal surfaces. The potential and its normal derivative are assumed to be constant within each element. This yields a set of linear algebraic equations and the coefficients are evaluated analytically. By using Gaussian elimination method, equations are solved for the potentials at the centroids of elements. The pressure coefficient is evaluated by the finite different method; the lift and moment coefficients are evaluated by numerical integration. Numerical results are presented, and applications to flutter are also included.

Chen, L. T.↗
NASA NTRS1991

A method for the geometrically nonlinear analysis of compressively loaded prismatic composite structures

A method was developed for the geometrically nonlinear analysis of the static response of thin-walled stiffened composite structures loaded in uniaxial or biaxial compression. The method is applicable to arbitrary prismatic configurations composed of linked plate strips, such as stiffened panels and thin-walled columns. The longitudinal ends of the structure are assumed to be simply supported, and geometric shape imperfections can be modeled. The method can predict the nonlinear phenomena of postbuckling strength and imperfection sensitivity which are exhibited by some buckling-dominated structures. The method is computer-based and is semi-analytic in nature, making it computationally economical in comparison to finite element methods. The method uses a perturbation approach based on the use of a series of buckling mode shapes to represent displacement contributions associated with nonlinear response. Displacement contributions which are of second order in the model amplitudes are incorported in addition to the buckling mode shapes. The principle of virtual work is applied using a finite basis of buckling modes, and terms through the third order in the model amplitudes are retained. A set of cubic nonlinear algebraic equations are obtained, from which approximate equilibrium solutions are determined. Buckling mode shapes for the general class of structure are obtained using the VIPASA analysis code within the PASCO stiffened-panel design code. Thus, subject to some additional restrictions in loading and plate anisotropy, structures which can be modeled with respect to buckling behavior by VIPASA can be analyzed with respect to nonlinear response using the new method. Results obtained using the method are compared with both experimental and analytical results in the literature. The configurations investigated include several different unstiffened and blade-stiffening panel configurations, featuring both homogeneous, isotropic materials, and laminated composite material.

Stoll, Frederick↗
NASA NTRS1995

Reduction technique for tire contact problems

A reduction technique and a computational procedure are presented for predicting the tire contact response and evaluating the sensitivity coefficients of the different response quantities. The sensitivity coefficients measure the sensitivity of the contact response to variations in the geometric and material parameters of the tire. The tire is modeled using a two-dimensional laminated anisotropic shell theory with the effects of variation in geometric and material parameters, transverse shear deformation, and geometric nonlinearities included. The contact conditions are incorporated into the formulation by using a perturbed Lagrangian approach with the fundamental unknowns consisting of the stress resultants, the generalized displacements, and the Lagrange multipliers associated with the contact conditions. The elemental arrays are obtained by using a modified two-field, mixed variational principle. For the application of the reduction technique, the tire finite element model is partitioned into two regions. The first region consists of the nodes that are likely to come in contact with the pavement, and the second region includes all the remaining nodes. The reduction technique is used to significantly reduce the degrees of freedom in the second region. The effectiveness of the computational procedure is demonstrated by a numerical example of the frictionless contact response of the space shuttle nose-gear tire, inflated and pressed against a rigid flat surface.

Noor, Ahmed K.↗