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Results for “stabilization method”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Enabling stable and high-rate cycling of a Ni-rich layered oxide cathode for lithium-ion batteries by modification with an artificial Li⁺-conducting cathode-electrolyte interphase

Ni-rich LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM811) cathodes are investigated to realize high energy density Li ion batteries for long life electric vehicle applications. However, capacity decay and thermal instability due to cathode-electrolyte interfacial degradation remain challenges that require sophisticated surface stabilization methods to address. Here, we propose a strategy, for the first time, to form an artificial Li + -conducting cathode-electrolyte interphase (ALCEI) on the NCM811 cathode surface using a nucleophilic reaction between polysulfides and vinylene carbonate (VC). Furthemore, the as-formed ALCEI layer simultaneously protects the NCM particles from electrolyte corrosion and facilitates Li + ion transport, thus enabling stable and high rate cycling of NCM811. As a result, the ALCEI-modified NCM811 cathode exhibits a high capacity (211.6 mA h g -1 at 0.1C), notable rate capability (134 mA h g -1 at 10C), and superior cycle stability (94.2% over 200 cycles at 1C). These results underscore the use of interfacial engineering in high voltage cathode material development and provide a feasible strategy for stabilizing Ni-rich cathode interfaces in practical Li ion battery applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Implicit and Implicit–Explicit Strong Stability Preserving Runge–Kutta Methods with High Linear Order

Strong stability preserving (SSP) time discretizations preserve the monotonicity properties satisfied by the spatial discretization when coupled with the first order forward Euler, under a certain time-step restriction. The search for high order strong stability preserving time-stepping methods with high order and large allowable time-step has been an active area of research. It is known that implicit SSP Runge–Kutta methods exist only up to sixth order; however, if we restrict ourselves to solving only linear autonomous problems, the order conditions simplify and we can find implicit SSP Runge–Kutta methods of any linear order. In the current work we find implicit SSP Runge–Kutta methods with high linear order p lin ≤ 9 and nonlinear orders p = 2,3,4, that are optimal in terms of allowable SSP time-step. Next, we formulate a novel optimization problem for implicit–explicit (IMEX) SSP Runge–Kutta methods and find optimized IMEX SSP Runge–Kutta pairs that have high linear order p lin ≤ 7 and nonlinear orders up to p = 4. Here, we also find implicit methods with large linear stability regions that pair with known explicit SSP Runge–Kutta methods. These methods are then tested on sample problems to demonstrate the sharpness of the SSP coefficient and the typical behavior of these methods on test problems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Nuclear-Physical Foundation of Atomic Energy

The current status of the nuclear database used for engineering calculations in the field of nuclear energy is reported. It is shown that the nuclear database and its attendant computational methods, stabilization, and transmission to the next generation of specialists who will have to solve the problems of the future development of nuclear power must be improved and updated.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2017

Improving the Immunogenicity of Native-like HIV-1 Envelope Trimers by Hyperstabilization

The production of native-like recombinant versions of the HIV-1 envelope glycoprotein (Env) trimer requires overcoming the natural flexibility and instability of the complex. The engineered BG505 SOSIP.664 trimer mimics the structure and antigenicity of native Env. Here, we describe how the introduction of new disulfide bonds between the glycoprotein (gp)120 and gp41 subunits of SOSIP trimers of the BG505 and other genotypes improves their stability and antigenicity, reduces their conformational flexibility, and helps maintain them in the unliganded conformation. The resulting next-generation SOSIP.v5 trimers induce strong autologous tier-2 neutralizing antibody (NAb) responses in rabbits. In addition, the BG505 SOSIP.v6 trimers induced weak heterologous NAb responses against a subset of tier-2 viruses that were not elicited by the prototype BG505 SOSIP.664. These stabilization methods can be applied to trimers from multiple genotypes as components of multivalent vaccines aimed at inducing broadly NAbs (bNAbs).

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Turbulent nonpremixed cool flames: Experimental measurements, Direct Numerical Simulation, and manifold-based combustion modeling

Turbulence, low-temperature chemistry, and their interactions in the form of turbulent cool flames are critical to understanding and improving advanced engines. Design of such engines requires tractable simulations which in turn necessitate turbulent combustion models that can account for cool flames. While manifold-based turbulent combustion models are an attractive option for hot flames, their applicability to cool flames is not yet fully understood. This is partially due to the lack of turbulent cool flame experiments, which has made model validation difficult. This work addresses these points with a combined experimental and computational investigation of turbulent nonpremixed dimethyl ether cool flames. First, a Co-flow Axisymmetric Reactor-Assisted Turbulent (CARAT) burner is developed and tested. Turbulent cool flames are studied using the formaldehyde planar laser-induced fluorescence (PLIF), acetone PLIF, and planar Rayleigh scattering techniques. The acetone PLIF signals are converted into mixture fraction values, and measurements of time-averaged temperature are derived from the Rayleigh scattering signals by taking advantage of the similarities between cool flames and unburned mixtures. Second, a Direct Numerical Simulation (DNS) of the CARAT burner is conducted. The flame is shown to be sensitive to thermal boundary conditions such that the stabilization method is dependent on a 10 K change in inlet temperature. Comparisons of first- and second-order statistics of temperature, mixture fraction, and formaldehyde between the DNS and experiment show good agreement. The validity of manifold-based turbulent combustion models in turbulent cool flames is then explored by first studying the effective Lewis numbers in the flame using a local differential diffusion parameter analysis. Turbulent cool flames are shown to have effective unity Lewis number transport even at a much lower Reynolds number than typically required for hot flames. Good agreement is shown for temperature and formaldehyde between DNS conditional means and one-dimensional nonpremixed flame solutions. Additionally, the motion of the cool flame in mixture fraction space is shown to be well described by one-dimensional nonpremixed flame solutions. These points indicate that the fundamental physics of turbulent cool flames are analogous to turbulent hot flames, implying that the same reduced-order manifold-based modeling approaches utilized for turbulent hot flames can be utilized for turbulent cool flames.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Visualizing Stereodynamics in Cold Collisions through Shape Resonance Wavefunctions

Shape resonances in cold collisions are often strongly affected by stereodynamics. These resonances can sometimes be assigned by single-channel quantization along the scattering coordinate. However, sensitive steric control of collision implies strong anisotropy of the interaction potential energy surface, which usually leads to coupling among multiple scattering channels in the strongly interacting region. Hence, the resonances might be the result of quantization in a multidimensional space. Using the cold rotationally inelastic collision between para-H 2 (v 1 = 1, j 1 = 2) and HF (v 2 = 0, j 2 = 0) as an example, we analyze four low-lying shape resonances via diagonalization of the full-dimensional Hamiltonian with a stabilization method. While some resonances can indeed be assigned with a single partial wave, others apparently involve more than one scattering channel. Furthermore, a new model based on these resonance wavefunctions is developed to better understand the stereodynamics through shape resonances in cold collisions.

Collisions↗
DOE OSTI2019

Remedial Treatment of Corroded Iron Objects by Environmental Aeromonas Isolates

Using bacteria to transform reactive corrosion products into stable compounds represents an alternative to traditional methodsployed in iron conservation. Two environmental Aeromonas strains (CA23 and CU5) were used to transform ferric iron corrosion products (goethite and lepidocrocite) into stable ferrous iron-bearing minerals (vivianite and siderite). A genomic and transcriptomic approach was used to analyze the metabolic traits of these strains and to evaluate their pathogenic potential. Although genes involved in solid-phase iron reduction were identified, key genes present in other environmental iron-reducing species are missing from the genome of CU5. Several pathogenicity factors were identified in the genomes of both strains, but none of these was expressed under iron reduction conditions. Additional in vivo tests showed hemolytic and cytotoxic activities for strain CA23 but not for strain CU5. Both strains were easily inactivated using ethanol and heat. Nonetheless, given a lesser potential for a pathogenic lifestyle, CU5 is the most promising candidate for the development of a bio-based iron conservation method stabilizing iron corrosion. Based on all the results, a prototype treatment was established using archaeological items. On those, the conversion of reactive corrosion products and the formation of a homogenous layer of biogenic iron minerals were achieved. This study shows how naturally occurring microorganisms and their metabolic capabilities can be used to develop bio-inspired solutions to the problem of metal corrosion.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Camellia: A Rapid Development Framework for Finite Element Solvers

We report the discontinuous Petrov–Galerkin (DPG) methodology of Demkowicz and Gopalakrishnan guarantees the optimality of the finite element solution in a user-controllable energy norm, and provides several features supporting adaptive schemes. The approach provides stability automatically; there is no need for carefully derived numerical fluxes (as in DG schemes) or for mesh-dependent stabilization terms (as in stabilized methods). In this paper, we focus on features of Camellia that facilitate implementation of new DPG formulations; chief among these is a rich set of features in support of symbolic manipulation, which allow, e.g., bilinear formulations in the code to appear much as they would on paper. Many of these features are general in the sense that they can also be used in the implementation of other finite element formulations. In fact, because DPG’s requirements are essentially a superset of those of other finite element methods, Camellia provides built-in support for most common methods. We believe, however, that the combination of an essentially “hands-free” finite element methodology as found in DPG with the rapid development features of Camellia are particularly winsome, so we focus on use cases in this class. In addition to the symbolic manipulation features mentioned above, Camellia offers support for one-irregular adaptive meshes in 1D, 2D, 3D, and space-time. It provides a geometric multigrid preconditioner particularly suited for DPG problems, and supports distributed parallel execution using MPI. For its load balancing and distributed data structures, Camellia relies on packages from the Trilinos project, which simplifies interfacing with other computational science packages. Camellia also allows loading of standard mesh formats through an interface with the MOAB package. Camellia includes support for static condensation to eliminate element-interior degrees of freedom locally, usually resulting in substantial reduction of the cost of the global problem. Finally, we include a discussion of the variational formulations built into Camellia, with references to those formulations in the literature, as well as an MPI performance study.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

The effect of non-axisymmetric fuel staging on flame structure in a multiple-nozzle model gas turbine combustor

Fuel staging is often used to suppress combustion instabilities in a gas turbine engine. This strategy is accomplished by applying differing flow rates of fuel to different nozzles of a multinozzle combustor. As such, the mixture composition and critical flame properties like flame speed and heat release may vary from nozzle to nozzle. In this experiment, five identical nozzles are arranged with a central nozzle surrounded symmetrically by four others; this is commonly referred to as a “four-around-one” configuration. The fuel is staged by adding more fuel through the middle and one outer nozzle, where staging through the middle nozzle will be referred to as axisymmetric staging, and staging through an outer nozzle is non-axisymmetric staging. This staging is analyzed through the use of tomographic image reconstruction. Images are taken in 5 degree increments over a 180 degree span around the flame for each staging condition. We compare three cases: one without staging, one with axisymmetric staging, and another with non-axisymmetric staging. Fuel staging can cause deviations in the flame structure where neighboring flames meet each other. Nonaxisymmetric versus axisymmetric staging are found to result in different flame shapes and stabilization methods due to the difference in the number of flames that are interacting with the staged nozzle.

Sekulich, Olivia↗
DOE OSTI2017

Effect of preparation methods on dispersion stability and electrochemical performance of graphene sheets

Chemical exfoliation is one of the most important strategies for preparing graphene. The aggregation of graphene sheets severely prevents graphene from exhibiting excellent properties. However, there are no attempts to investigate the effect of preparation methods on the dispersity of graphene sheets. In this study, three chemical exfoliation methods, including Hummers method, modified Hummers method, and improved method, were used to prepare graphene sheets. The influence of preparation methods on the structure, dispersion stability in organic solvents, and electrochemical properties of graphene sheets were investigated. Fourier transform infrared microscopy, Raman spectra, transmission electron microscopy, and UV–vis spectrophotometry were employed to analyze the structure of the as-prepared graphene sheets. The results showed that graphene prepared by improved method exhibits excellent dispersity and stability in organic solvents without any additional stabilizer or modifier, which is attributed to the completely exfoliation and regular structure. Moreover, cyclic voltammetric and electrochemical impedance spectroscopy measurements showed that graphene prepared by improved method exhibits superior electrochemical properties than that prepared by the other two methods. - Graphical abstract: Graphene oxides with different oxidation degree were obtained via three methods, and then graphene with different crystal structures were created by chemical reduction of exfoliated graphene oxides. - Highlights: • Graphene oxides with different oxidation degree were obtained via three oxidation methods. • The influence of oxidation methods on microstructure of graphene was investigated. • The effect of oxidation methods on dispersion stability of graphene was investigated. • The effect of oxidation methods on electrochemical properties of graphene was discussed.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structure preserving transport stabilized compatible finite element methods for magnetohydrodynamics

Here, we present compatible finite element space discretizations for the ideal compressible magnetohydrodynamic equations. The magnetic field is considered both in div- and curl-conforming spaces, leading to a strongly or weakly preserved zero-divergence condition, respectively. The equations are discretized in space such that transfers between the kinetic, internal, and magnetic energies are consistent, leading to a preserved total energy. We also discuss further adjustments to the discretization required to additionally achieve magnetic helicity preservation. Finally, we describe new transport stabilization methods for the magnetic field equation which maintain the zero-divergence and energy conservation properties, including one method which also preserves magnetic helicity. The methods' preservation and improved stability properties are confirmed numerically using a steady state and a magnetic dynamo test case.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Downwinding for preserving strong stability in explicit integrating factor Runge-Kutta methods

Here strong stability preserving (SSP) Runge-Kutta methods are desirable when evolving in time problems that have discontinuities or sharp gradients and require nonlinear non-inner-product stability properties to be satisfied. Unlike the case for L 2 linear stability, implicit methods do not significantly alleviate the time-step restriction when the SSP property is needed. For this reason, when handling problems with a linear component that is stiff and a nonlinear component that is not, SSP integrating factor Runge-Kutta methods may offer an attractive alternative to traditional time-stepping methods. The strong stability properties of integrating factor Runge-Kutta methods where the transformed problem is evolved with an explicit SSP Runge-Kutta method with non-decreasing abscissas was recently established. However, these methods typically have smaller SSP coefficients (and therefore a smaller allowable time-step) than the optimal SSP Runge-Kutta methods, which often have some decreasing abscissas. In this work, we consider the use of downwinded spatial operators to preserve the strong stability properties of integrating factor Runge-Kutta methods where the Runge-Kutta method has some decreasing abscissas. We present the SSP theory for this approach and present numerical evidence to show that such an approach is feasible and performs as expected. However, we also show that in some cases the integrating factor approach with explicit SSP Runge-Kutta methods with non-decreasing abscissas performs nearly as well, if not better, than with explicit SSP Runge-Kutta methods with downwinding. In conclusion, while the downwinding approach can be rigorously shown to guarantee the SSP property for a larger timestep, in practice using the integrating factor approach by including downwinding as needed with optimal explicit SSP Runge-Kutta methods does not necessarily provide significant benefit over using explicit SSP Runge-Kutta methods with non-decreasing abscissas.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Materials for stabilizing semiconductors and methods of making the same

The present disclosure relates to a device that includes a first layer having an active material and a stabilizing material, where the active material includes a semiconductor, the stabilizing material includes at least one of an oligomer, an elastomer, a polymer, and/or a resin, and the stabilizing material provides to the device an improved performance metric compared to a device constructed of the first layer but constructed of only the active material (i.e., in the absence of the stabilizing material).

Zhu, Kai↗
DOE OSTI2017

Stability analysis of nonlinear two-grid method for multigroup neutron diffusion problems

We present theoretical analysis of a nonlinear acceleration method for solving multigroup neutron diffusion problems. This method is formulated with two energy grids that are defined by (i) fine-energy groups structure and (ii) coarse grid with just a single energy group. The coarse-grid equations are derived by averaging of the multigroup diffusion equations over energy. The method uses a nonlinear prolongation operator. We perform stability analysis of iteration algorithms for inhomogeneous (fixed-source) and eigenvalue neutron diffusion problems. To apply Fourier analysis the equations of the method are linearized about solutions of infinite-medium problems. The developed analysis enables us to predict convergence properties of this two-grid method in different types of problems. Numerical results of problems in 2D Cartesian geometry are presented to confirm theoretical predictions.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

sta-imex (scripts to investigate stability of IMEX methods)

Set of Matlab scripts to investigate properties of IMEX time stepping methods. Scripts include discretization of a system of linearized equations. One script plots numerical dispersion against analytical dispersion of the system. Another set of scripts uses the system to break it into stiff and non stiff part to investigate stability of Implicit-Explicit Runge-Kutta methods. Scripts are based on Thuburn, J. and Woollings, T. J., Vertical Discretizations for Compressible Euler Equation Atmospheric Models Giving Optimal Representation of Normal Modes , 2005 and Lock, S.-J. and Wood, N. and Weller, H., Numerical analyses of Runge-Kutta implicit-explicit schemes for horizontally explicit, vertically implicit solutions of atmospheric models, 2014 expanding ideas from these two papers. Scripts are used to develop IMEX schemes. SAND2020-12594 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA0003525.

Guba, Oksana↗
DOE OSTI2020

Affinity propagation clustering of full-field, high-spatial-dimensional measurements for robust output-only modal identification: A proof-of-concept study

Determination of the model order is a challenging problem in system identification, especially in output-only or operational modal identification where some modes are weakly excited. While existing methods such as the stabilization diagram method (spectral information) are effective, they do not scale to high-dimensional data, which is usually needed for high-fidelity characterization of structural dynamics and has been made available in the emerging full-field measurement techniques using optical methods such as photogrammetry and laser vibrometers. In this proof-of-concept study we present a new non-parametric, data-driven approach for robust output-only identification of high-spatial-dimensional modal parameters of basic structures by efficiently processing and interactively exploiting the full-field measurement (i.e., very dense spatial measurement points). Specifically, we first over-estimate the system model once, producing a pool of candidate modes associated with their modal frequencies and full-field, high-spatial-dimensional mode shapes. This is accomplished by a data-driven method termed affinity propagation clustering (APC), where the active clusters, which are the active modes in our formulations, emerge from the "message-passing" procedure and does not require a pre-determination of the cluster number (mode or model order). Next, rather than using the spectral information to distinguish the physical and spurious modes in the stabilization diagram method, we exploit and visualize the spatial, full-field mode shape associated with each candidate mode to do so. We conduct extensive experiments on basic structural models with comparisons to a few existing methods. The results indicate that the new method is computationally efficient for identifying high-spatial-dimensional modal parameters, and robust to identify weak modes by exploiting the full-field measurement. We also discuss its applicability and limitations for structures with complex geometry (shapes).

42 ENGINEERING↗
DOE OSTI2022

Embedded pairs for optimal explicit strong stability preserving Runge–Kutta methods

We construct a family of embedded pairs for optimal explicit strong stability preserving Runge–Kutta methods of order 2 ≤ p ≤ 4 to be used to obtain numerical solution of spatially discretized hyperbolic PDEs. In this construction, the goals include non-defective property, large stability region, and small error values as defined in Dekker and Verwer (1984) and Kennedy et al. (2000). The new family of embedded pairs offer the ability for strong stability preserving (SSP) methods to adapt by varying the step-size. Through several numerical experiments, we assess the overall effectiveness in terms of work versus precision while also taking into consideration accuracy and stability.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2018

Adaptive Model Reduction for Parareal in Time Method for Transient Stability Simulations

Real time or faster than real time simulation can enable system operators to foresee the effect of crucial contingencies on the power system dynamics and take timely actions to prevent system instability. Parareal in time method uses concurrent computations on different segments of the time domain of interest to speed up the dynamic simulations. This paper describes the application of an adaptive nonlinear model reduction method in improving computational speed of the Parareal solver. The proposed method adaptively switches between a hybrid system with selective linearization and a completely linear system based on the size of a disturbance. The functions in the hybrid system are linearized based on the electrical distance between specific generators and the area where disturbances originated. The proposed method is tested on the 327-machine 2383-bus Polish system.

Osipov, Denis↗