Search NASA⌕ Search

SEARCH · Search NASA

Results for “Variational formulation”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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

At least 271 records · Page 15

On a nonlocal Cahn–Hilliard model permitting sharp interfaces

A nonlocal Cahn–Hilliard model with a non-smooth potential of double-well obstacle type that promotes sharp interfaces in the solution is presented. To capture long-range interactions between particles, a nonlocal Ginzburg–Landau energy functional is defined which recovers the classical (local) model as the extent of nonlocal interactions vanish. In contrast to the local Cahn–Hilliard problem that always leads to diffuse interfaces, the proposed nonlocal model can lead to a strict separation into pure phases of the substance. In this work, the lack of smoothness of the potential is essential to guarantee the aforementioned sharp-interface property. Mathematically, this introduces additional inequality constraints that, in a weak formulation, lead to a coupled system of variational inequalities which at each time instance can be restated as a constrained optimization problem. We prove the well-posedness and regularity of the semi-discrete and continuous in time weak solutions, and derive the conditions under which pure phases are admitted. Moreover, we develop discretizations of the problem based on finite element methods and implicit–explicit time-stepping methods that can be realized efficiently. Finally, we illustrate our theoretical findings through several numerical experiments in one and two spatial dimensions that highlight the differences in features of local and nonlocal solutions and also the sharp interface properties of the nonlocal model.

97 MATHEMATICS AND COMPUTING↗

Anion permselective membrane

The synthesis and fabrication of polymeric anion permselective membranes for redox systems are discussed. Variations of the prime candidate anion membrane formulation to achieve better resistance and/or lower permeability were explored. Processing parameters were evaluated to lower cost and fabricate larger sizes. The processing techniques to produce more membranes per batch were successfully integrated with the fabrication of larger membranes. Membranes of about 107 cm x 51 cm were made in excellent yield. Several measurements were made on the larger sample membranes. Among the data developed were water transport and transference numbers for these prime candidate membranes at 20 C. Other work done on this system included characterization of a number of specimens of candidate membranes which had been returned after service lives of up to sixteen months. Work with new polymer constituents, with new N.P.'s, catalysts and backing fabrics is discussed. Some work was also done to evaluate other proportions of the ingredients of the prime candidate system. The adoption of a flow selectivity test at elevated temperature was explored.

Hodgdon, R. B.↗

Mars: Long Term Changes in the State and Distribution of H2O

A model for H2O distribution and migration on Mars was formulated which takes into account: (1) thermal variations at all depths in the regolith due to variations in obliquity, eccentricity and the solar constant; (2) variations in atmospheric PH2O caused by corresponding changes in polar surface insolation; and (3) the finite kinetics of H2O migration in both the regolith and atmosphere. Results suggest that regolith H2O transport rates are more strongly influenced by polar-controlled atmospheric PH2O variations than variations in pore gas PH2O brought about by thermal variations at the buried ice interface. The configuration of the ice interface as a function of assumed soil parameter and time is derived. Withdrawal of ice proceeds to various depths at latitudes less than 50 deg and is accompanied by filling of regolith pores at latitudes greater than 50 deg and transfer of H2O to the polar cap. The transfer has a somewhat oscillatory character, but only less than 1g/sq cm is shifted into and out the regolith during each obliquity cycle. It is concluded that this process combined with periodic thermal cycles played a major role in development of the fretted terrain, deflationary features in general, patterned ground, the north polar cap and the layered terrain.

Fanale, F. P.↗

Effect of an upstream wake on a pusher propeller

An analytical/computational study has been conducted to predict the effect of an upstream wake on an operating propeller. The upstream wing/pylon was modeled by a constant chord wing of NACA 0012 sections and was placed at a variable distance (0.1 - 0.3 chord) upstream of a scaled model propeller (SR-2). The wake model was a similarity formulation. The periodic behavior ofthe flow during the passage through the wake was formulated in terms of time-dependent variation of each blade section's angle of attack. It was found that the final expressions for the unsteady pressure distribution on each blade section are periodic and that the unsteady circulation and lift coefficieents exhibit a hysteresis loop.

Takallu, M. A.↗

Consistent linearization of the element-independent corotational formulation for the structural analysis of general shells

A consistent linearization is provided for the element-dependent corotational formulation, providing the proper first and second variation of the strain energy. As a result, the warping problem that has plagued flat elements has been overcome, with beneficial effects carried over to linear solutions. True Newton quadratic convergence has been restored to the Structural Analysis of General Shells (STAGS) code for conservative loading using the full corotational implementation. Some implications for general finite element analysis are discussed, including what effect the automatic frame invariance provided by this work might have on the development of new, improved elements.

Rankin, C. C.↗

An improvement of convection fidelity in Euler calculations

A new solution procedure is presented to solve the Euler equations for steady, compressible, rotational, inviscid flows. The approach is aimed at achieving real inviscid solutions in Euler calculations by eliminating numerical diffusion. The variables in the Euler equations are divided into elliptic and convective quantities, using the Clebsch velocity decomposition. The convective quantities are then transported without numerical contamination using an efficient convection operator, while the elliptic quantities are integrated with a relaxation procedure. This approach provides a generalization of the full potential formulation to rotation Euler physics by allowing variations of convective quantities. Results are demonstrated for several transonic flows in two dimensions.

Lee, K. D.↗

A numerical study of hypersonic stagnation heat transfer predictions at a coordinate singularity

The problem of grid induced errors associated with a coordinate singularity on heating predictions in the stagnation region of a three-dimensional body in hypersonic flow is examined. The test problem is for Mach 10 flow over an Aeroassist Flight Experiment configuration. This configuration is composed of an elliptic nose, a raked elliptic cone, and a circular shoulder. Irregularities in the heating predictions in the vicinity of the coordinate singularity, located at the axis of the elliptic nose near the stagnation point, are examined with respect to grid refinement and grid restructuring. The algorithm is derived using a finite-volume formulation. An upwind-biased total-variation diminishing scheme is employed for the inviscid flux contribution, and central differences are used for the viscous terms.

Grasso, Francesco↗

Computer code for scattering from impedance bodies of revolution. Part 3: Surface impedance with s and phi variation. Analytical and numerical results

The third phase of the development of the computer codes for scattering by coated bodies that has been part of an ongoing effort in the Electromagnetics Laboratory of the Electrical Engineering and Computer Science Department at the University of Illinois at Chicago is described. The work reported discusses the analytical and numerical results for the scattering of an obliquely incident plane wave by impedance bodies of revolution with phi variation of the surface impedance. Integral equation formulation of the problem is considered. All three types of integral equations, electric field, magnetic field, and combined field, are considered. These equations are solved numerically via the method of moments with parametric elements. Both TE and TM polarization of the incident plane wave are considered. The surface impedance is allowed to vary along both the profile of the scatterer and in the phi direction. Computer code developed for this purpose determines the electric surface current as well as the bistatic radar cross section. The results obtained with this code were validated by comparing the results with available results for specific scatterers such as the perfectly conducting sphere. Results for the cone-sphere and cone-cylinder-sphere for the case of an axially incident plane were validated by comparing the results with the results with those obtained in the first phase of this project. Results for body of revolution scatterers with an abrupt change in the surface impedance along both the profile of the scatterer and the phi direction are presented.

Uslenghi, Piergiorgio L. E.↗

Formulation of additional observables for ENTREE

The S-band X and Y angles, SAMS, and TACAN range and bearing were incorporated into the ENTREE software for use by experimenters at LaRC for entry trajectory reconstruction purposes. Background discussions present the need for this added capability. Formulations for the various observables are presented. Both north-south and east-west antenna mounts were provided for in the S-band angle computations. Sub-vehicle terrain height variations are included in the SAMS model. Local magnetic variations were incorporated for the TACAN bearing computations. Observable formulations are discussed in detail along with the partial computations.

Findlay, J. T.↗

Modeling of deformation of battery cells using thick shell element formulation

Here, we describe a new approach for modeling nonlinear deformation and stress distribution of battery cells using a new thick shell finite element formulation with a through-thickness calculation of stresses and strains that satisfy equilibrium conditions. Battery cells are transversely layered materials that contain numerous thin layers in a repeating sequence. The layers are made of materials with significantly different mechanical responses. Explicit discretization of the layers is computationally impractical except for very small domains, while homogenized material models cannot account for stress and strain variations and partition through the thickness. The new formulation allows for calculation of the transverse and interlayer stresses based on the material properties of the individual cell layers. The application to problems where the transverse stresses have strong influence is also possible.

25 ENERGY STORAGE↗

Compatibility Condition in Theory of Solid Mechanics (Elasticity, Structures, and Design Optimization)

The strain formulation in elasticity and the compatibility condition in structural mechanics have neither been understood nor have they been utilized. This shortcoming prevented the formulation of a direct method to calculate stress. We have researched and understood the compatibility condition for linear problems in elasticity and in finite element analysis. This has lead to the completion of the method of force with stress (or stress resultant) as the primary unknown. The method in elasticity is referred to as the completed Beltrami-Michell formulation (CBMF), and it is the integrated force method (IFM) in structures. The dual integrated force method (IFMD) with displacement as the primary unknown has been formulated. IFM and IFMD produce identical responses. The variational derivation of the CBMF yielded the new boundary compatibility conditions. The CBMF can be used to solve stress, displacement, and mixed boundary value problems. The IFM in structures produced high-fidelity response even with a modest finite element model. The IFM has influenced structural design considerably. A fully utilized design method for strength and stiffness limitation has been developed. The singularity condition in optimization has been identified. The CBMF and IFM tensorial approaches are robust formulations because of simultaneous emphasis on the equilibrium equation and the compatibility condition.

Patnaik, Surya N.↗

Turbulence Model Predictions of Strongly Curved Flow in a U-Duct

The ability of three types of turbulence models to accurately predict the effects of curvature on the flow in a U-duct is studied. An explicit algebraic stress model performs slightly better than one- or two-equation linear eddy viscosity models, although it is necessary to fully account for the variation of the production-to-dissipation-rate ratio in the algebraic stress model formulation. In their original formulations, none of these turbulence models fully captures the suppressed turbulence near the convex wall, whereas a full Reynolds stress model does. Some of the underlying assumptions used in the development of algebraic stress models are investigated and compared with the computed flowfield from the full Reynolds stress model. Through this analysis, the assumption of Reynolds stress anisotropy equilibrium used in the algebraic stress model formulation is found to be incorrect in regions of strong curvature. By the accounting for the local variation of the principal axes of the strain rate tensor, the explicit algebraic stress model correctly predicts the suppressed turbulence in the outer part of the boundary layer near the convex wall.

Rumsey, Christopher L.↗

Variational neural network approach to QFT in the field basis

We present a variational neural network approach for solving quantum field theories in the field basis, focusing on the free Klein-Gordon model formulated in momentum space. While recent studies have explored neural-network-based variational methods for scalar field theory in position space, a systematic benchmark of the analytically solvable Klein-Gordon ground state—particularly in the momentum-space field basis—has been lacking. In this work, we represent the ground-state wavefunctional as a neural network defined on a discretized set of field configurations and train it by minimizing the Hamiltonian expectation value. This framework enables direct comparison to exact analytic results for a range of key observables, including the ground-state energy, two-point correlators, expectation value of the field, and the structure of the learned wavefunctional itself. Our results provide quantitative diagnostics of accuracy and establish a validated foundation for extending neural-network wavefunctional methods to interacting field theories and position-space formulations.

Klein-Gordon model↗

Lithium inventory tracking as a non-destructive battery evaluation and monitoring method

Tracking the active lithium (Li) inventory in an electrode shows the true state of a Li battery, akin to a fuel gauge for an engine. However, non-destructive Li inventory tracking is currently unavailable. Here, in this work, we used the theoretical capacity of a transition metal oxide to convert capacity into a Li inventory analysis. The Li inventory in electrodes was tracked reliably to show how battery formulations and test methods affect performance. Contrary to capacity, Li inventory tracking reveals stoichiometric variations near the electrode–electrolyte interface. Verifiable results rationalized differences in measurements, clarifying and reducing interferences from cell formulations and experimental manipulations. By tracing four variables from formation to end-of-life, we characterize electrode and cell performance with a thermodynamic framework. Accurate rationalization of subtle differences in Li inventory utilization promises precise battery engineering, evaluation, failure analysis and risk mitigation. The method could be applicable from cell design optimization and fabrication to battery management, improving battery performance and reliability.

25 ENERGY STORAGE↗

A SmallSat Concept to Resolve Diurnal and Vertical Variations of Aerosols, Clouds, and Boundary Layer Height

A SmallSat mission concept is formulated here to carry out Time-varying Optical Measurements of Clouds and Aerosol Transport (TOMCAT) from space while embracing low-cost opportunities enabled by the revolution in Earth science observation technologies. TOMCAT’s “around-the-clock” measurements will provide needed insights and strong synergy with existing Earth observation satellites to 1) statistically resolve diurnal and vertical variation of cirrus cloud properties (key to Earth’s radiation budget), 2) determine the impacts of regional and seasonal planetary boundary layer (PBL) diurnal variation on surface air quality and low-level cloud distributions, and 3) characterize smoke and dust emission processes impacting their long-range transport on the subseasonal to seasonal time scales. Clouds, aerosol particles, and the PBL play critical roles in Earth’s climate system at multiple spatiotemporal scales. Yet their vertical variations as a function of local time are poorly measured from space. Active sensors for profiling the atmosphere typically utilize sun-synchronous low-Earth orbits (LEO) with rather limited temporal and spatial coverage, inhibiting the characterization of spatiotemporal variability. Pairing compact active lidar and passive multiangle remote sensing technologies from an inclined LEO platform enables measurements of the diurnal and vertical variability of aerosols, clouds, and aerosol-mixing-layer (or PBL) height in tropical-to-midlatitude regions where most of the world’s population resides. TOMCAT is conceived to bring potential societal benefits by delivering its data products in near–real time and offering on-demand hazard-monitoring capabilities to profile fire injection of smoke particles, the frontal lofting of dust particles, and the eruptive rise of volcanic plumes.

John E. Yorks↗

Biological toxicity and environmental hazards associated with PLGA nanoparticles

There have been tremendous advances in nanotechnology. More recently, the use of nanoparticles has expanded to applications including materials, packaging, energy, and medical uses such as drug delivery, diagnostics, and therapeutics. The American Society for Testing and Materials (ASTM) and the International Organization for Standardization (ISO) define nanoparticles as particles with at least one dimension measuring between 1 and 100 nm (2), but this view is generally too limited, and recommendations have been made to consider all materials with a dimension measuring under 1,000 nm as nanoparticles. The biomedical uses of nanoparticles are particularly promising because of their ability to reach and target various sites and organs. However, some nanoparticles can be composed of toxic materials or are limited by issues of biodistribution and bioaccumulation, which have hampered their use in biomedicine. The copolymer poly lactic-co-glycolic acid (PLGA) has gained use in biomedical applications as a delivery system because it is considered biocompatible and can be formulated with controlled degradation in physiological environments. PLGA has a history in biomedicine that dates to the 1970s when biodegradable sutures were developed using PLGA. In addition, the United States (US) Food and Drug Administration (FDA) and the European Medicine Agency (EMA) have approved various PLGA particle formulations as therapeutic delivery vehicles. Interest in biocompatible materials to deliver a range of therapeutic drugs, proteins, nucleic acids, and other molecules has risen recently. In addition to drug delivery, sustained drug release can be achieved by tuning the physical properties of PLGA, such as the molecular weight, ratio of lactic to glycolic acid, drug concentration, stabilizing molecules, and particle size. Given the rise of nanoparticles, human and environmental exposure to them is inevitable as more applications use free, unbound, and highly mobile particles. Although PLGA is generally considered safe, a detailed understanding of how PLGA and the other components used to help formulate this copolymer into a nanoparticle delivery vehicle is useful for assessing potential harmful effects. Despite recent advances in PLGA nanoparticle formulations, residual stabilizing molecules, inconsistent preparations, and batch-to-batch variations can lead to toxicity. Poor preparations of PLGA can lead to common mechanisms of toxicity observed with nanoparticles, such as inflammation and oxidative stress. Consistency in PLGA formulations and accurate methods to evaluate nanoparticle toxicity are needed to ensure safety. In order to better assess PLGA nanoparticles as non-toxic delivery systems, it is critical to understand their physical and chemical properties and the formulation protocols that may introduce toxic components into particles.

Biology, nanoparticle, toxicity↗

Variations in Creep Performance of P92 Steel Within Its Composition Range: Influence of N Solubility

Underspecified composition ranges often lead to alloys with unpredictable mechanical performance. To better understand the changes in microstructure and mechanical performance associated with variations of key elements, three versions of P92 are formulated within, or close to, the specified allowable for N, B, and C ranges. Chromium and Si are also varied to influence N solubility. Different service conditions (i.e., temperature and stress) are explored. It is observed that >80% decrease in creep life occurs at 625 °C and 155 MPa for the highest B and N containing alloy. Multiscale characterization reveals key changes due to the trace element variation. The high B and N containing alloy forms deleterious BN precipitates with morphology that promotes crack nucleation and damage accumulation, but this alloy additionally forms higher fractions of beneficial MX precipitates. The alloy with the lowest B and N concentrations but greater C content shows the best creep performance—a consequence of the refined M 23 C 6 carbide precipitate population and the absence of large-scale inclusions or BN precipitates. Calculations of creep activation energy reveal that the high B and N containing alloy is more prone to damage accumulation which causes an early onset of accelerating creep and greater minimum creep rate.

36 MATERIALS SCIENCE↗

A generalized procedure for constructing an upwind based TVD scheme

A generalized formulation for constructing second- and higher-order accurate TVD (total variation diminishing) schemes is presented. A given scheme is made TVD by limiting antidiffusive flux differences with some linear functions, so-called limiters. The general idea of the formulation and its mathematical proof of Harten's TVD conditions is shown by applying the Lax-Wendroff method to scalar nonlinear equations and a constant-coefficient system of conservation laws. For the system of equations, several definitions are derived for the argument used in the limiter function and present their performance in numerical experiments. The formulation is extended to the nonlinear system. It is demonstrated that the present procedure can easily convert existing central or upwind, and second- or higher-order differencing schemes to preserve monotonicity and yield physically admissible solutions. The formulation is simple mathematically as well as numerically; both matrix-vector multiplication and Riemann solver are avoided. Although the notion of TVD is based on the initial value problem, application to the steady Euler equations of the formulation is also made.

Liou, Meng-Sing↗