A simple method for producing bio-based anode materials for lithium-ion batteries
Renewable biomaterials are catalytically converted to graphite for use in lithium-ion anodes using a simple and scalable process.
Sagues, William J.↗
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Results for “Methods”
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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An energy-optimization method to study gel-swelling in confinement
Using our open-source programming environment Morpho, an energy-optimization method is developed to compute equilibrium shapes of an arbitrarily confined swollen hydrogel. The internal strains and contact forces are measured, probing its mechanics.
Joshi, Chaitanya↗
Porting fragmentation methods to GPUs using an OpenMP API: Offloading the resolution-of-the-identity second-order Møller–Plesset perturbation method
Here, using an OpenMP Application Programming Interface, the resolution-of-the-identity second-order Møller–Plesset perturbation (RI-MP2) method has been off-loaded onto graphical processing units (GPUs), both as a standalone method in the GAMESS electronic structure program and as an electron correlation energy component in the effective fragment molecular orbital (EFMO) framework. First, a new scheme has been proposed to maximize data digestion on GPUs that subsequently linearizes data transfer from central processing units (CPUs) to GPUs. Second, the GAMESS Fortran code has been interfaced with GPU numerical libraries (e.g., NVIDIA cuBLAS and cuSOLVER) for efficient matrix operations (e.g., matrix multiplication, matrix decomposition, and matrix inversion). The standalone GPU RI-MP2 code shows an increasing speedup of up to 7.5× using one NVIDIA V100 GPU with one IBM 42-core P9 CPU for calculations on fullerenes of increasing size from 40 to 260 carbon atoms using the 6-31G(d)/cc-pVDZ-RI basis sets. A single Summit node with six V100s can compute the RI-MP2 correlation energy of a cluster of 175 water molecules using the correlation consistent basis sets cc-pVDZ/cc-pVDZ-RI containing 4375 atomic orbitals and 14 700 auxiliary basis functions in ~0.85 h. In the EFMO framework, the GPU RI-MP2 component shows near linear scaling for a large number of V100s when computing the energy of an 1800-atom mesoporous silica nanoparticle in a bath of 4000 water molecules. The parallel efficiencies of the GPU RI-MP2 component with 2304 and 4608 V100s are 98.0% and 96.1%, respectively.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
ProfileSR-GAN: A GAN Based Super-Resolution Method for Generating High-Resolution Load Profiles
Not provided.
Engineering↗
STUDIES ON PIPELINE POLYETHYLENES IN HYDROGEN GAS ENVIRONMENTS USING IN-SITU AND EX-SITU CHARACTERIZATION METHODS
Polymeric materials are commonplace in the natural gas infrastructure as distribution pipes, coatings, seals, and gaskets. Under the auspices of the U.S. Department of Energy HyBlend program, one of the means to reduce greenhouse gas emissions is with replacing natural gas, either partially or completely, with hydrogen. This approach makes it imperative that we conduct near-term and long-term materials compatibility research in these relevant environments. Insights into the effects of hydrogen and hydrogen gas blends on polymer integrity can be gained through both ex-situ and in-situ analytical methods. Our work represented here highlights a study of the behavior of pipeline polyethylene (PE) materials, including HDPE (Dow 2490 and GDB50) and MDPE (Ineos and legacy Dupont Aldyl A), when exposed to hydrogen by means of in-situ X-ray scattering and ex-situ Raman spectroscopy techniques. Samples were tested in ex-situ hydrogen and argon gas environments and in-situ hydrogen environments to identify differences due to permeation and solubility of these gases. These methods complemented each other because Raman spectroscopy could capture permanent effects after materials were removed from gaseous environments, and in-situ X-ray scattering analysis collected real-time data to elucidate the impact of the gas environment on polymer microstructure. Data collected revealed that the aforementioned polymers did not show significant changes in crystallinity and microstructure under the exposure conditions tested. Our findings from these studies will help establish real-time effects caused by hydrogen gas transport through pipeline polyethylenes by way of its influence on polymer structure and chemistry, which is directly related to pipeline mechanical strength and longevity of service.
Hydrogen materials compatibility, Natural gas pipe↗
A novel post-processing method for progressive failure analysis of brittle composite compression
Finite element analysis of brittle materials in axial compression typically uses element deletion to allow continued global deformation post-element-failure. However, element deletion produces cyclic load-displacement curves that underestimate energy absorption and are not representative of a continuum system. Two key observations support the conclusion that results from an appropriately discretized model can be an adequate representation of a continuum system. Specifically, the frequency of the oscillations in the load-displacement curve is directly dependent upon element length in the loading direction, and the peak amplitudes of oscillations are mesh size independent. A method of post-processing the analysis results, by connecting the peak amplitudes of oscillations, is proposed and applied to a series of continuous carbon fiber composite crush tubes. The load-displacement curve, stable crushing load, and specific energy absorption of the post-processed results compare well to an experimental study of crush tubes with similar layups.
Materials Science↗
Method for automatic correction of offset drift in online sensors
Abstract Successful operation and optimization of water treatment systems hinge on the availability of high-quality online sensor measurements. Ideally, the available measurements should be simultaneously accurate (i.e., unbiased and precise), representative, voluminous, and timely. This remains a pain-point in current water infrastructures, forming a barrier to a wider adoption of advanced and autonomous control systems. While short-lived symptoms, such as outliers and spikes, can be detected or corrected with state-of-the-art tools for fault detection and identification, it is much more difficult to detect, diagnose, and correct the symptoms of slow faults, such as changes in offset or sensitivity due to drift. The time scale of drift is often longer than the time scales of the system dynamics of interest. Moreover, sensor drift has been shown to occur at the same time and with similar rates when sensors are exposed to the same conditions. This challenges data quality management strategies based on redundancy. In this contribution, we develop a new method, including both a hands-off sensor calibration mechanism and an information-seeking control architecture that can handle the unique challenge of simultaneous and similar drift in online sensors.
Chowdhury, Dhrubajit↗
Methods of centers and methods of feasible directions for the solution of optimal control problems.
Demonstration of the applicability of methods of centers and of methods of feasible directions to optimal control problems. Presented experimental results show that extensions of Frank-Wolfe (1956), Zoutendijk (1960), and Pironneau-Polak (1971) algorithms for nonlinear programming problems can be quite efficient in solving optimal control problems.
Polak, E.↗
A combined representation method for use in band structure calculations. 1: Method
A representation was described whose basis levels combine the important physical aspects of a finite set of plane waves with those of a set of Bloch tight-binding levels. The chosen combination has a particularly simple dependence on the wave vector within the Brillouin Zone, and its use in reducing the standard one-electron band structure problem to the usual secular equation has the advantage that the lattice sums involved in the calculation of the matrix elements are actually independent of the wave vector. For systems with complicated crystal structures, for which the Korringa-Kohn-Rostoker (KKR), Augmented-Plane Wave (APW) and Orthogonalized-Plane Wave (OPW) methods are difficult to apply, the present method leads to results with satisfactory accuracy and convergence.
Friedli, C.↗
A recursively formulated first-order semianalytic artificial satellite theory based on the generalized method of averaging. Volume 1: The generalized method of averaging applied to the artificial satellite problem
A recursively formulated, first-order, semianalytic artificial satellite theory, based on the generalized method of averaging is presented in two volumes. Volume I comprehensively discusses the theory of the generalized method of averaging applied to the artificial satellite problem. Volume II presents the explicit development in the nonsingular equinoctial elements of the first-order average equations of motion. The recursive algorithms used to evaluate the first-order averaged equations of motion are also presented in Volume II. This semianalytic theory is, in principle, valid for a term of arbitrary degree in the expansion of the third-body disturbing function (nonresonant cases only) and for a term of arbitrary degree and order in the expansion of the nonspherical gravitational potential function.
Mcclain, W. D.↗
Investigation of the Multiple Method Adaptive Control (MMAC) method for flight control systems
The stochastic adaptive control of the NASA F-8C digital-fly-by-wire aircraft using the multiple model adaptive control (MMAC) method is presented. The selection of the performance criteria for the lateral and the longitudinal dynamics, the design of the Kalman filters for different operating conditions, the identification algorithm associated with the MMAC method, the control system design, and simulation results obtained using the real time simulator of the F-8 aircraft at the NASA Langley Research Center are discussed.
Athans, M.↗
Spectral methods for the Euler equations: Chebyshev methods and shock-fitting
The Chebyshev spectral collocation method for the Euler gas-dynamic equations is described. It is used with shock fitting to compute several two-dimensional, gas-dynamic flows. Examples include a shock-acoustic wave interaction, a shock/vortex interaction, and the classical blunt body problem. With shock fitting, the spectral method has a clear advantage over second order finite differences in that equivalent accuracy can be obtained with far fewer grid points.
Hussaini, M. Y.↗
Spectral methods for the Euler equations. II - Chebyshev methods and shock fitting
The Chebyshev spectral collocation method for the Euler gasdynamic equations is described. It is used with shock fitting to compute several two-dimensional gasdynamic flows. Examples include a shock/acoustic wave interaction, a shock/vortex interaction, and the classical blunt-body problem. With shock fitting, the spectral method has a clear advantage over second-order finite differences in that equivalent accuracy can be obtained with far fewer grid points.
Hussaini, M. Y.↗
Methods of periodicity analysis - Relationship between the Rayleigh analysis and a maximum likelihood method
For periodicity analysis of occurrence rates of discrete events, one can use the maximum likelihood method or the 'Rayleigh analysis'. In a maximum likelihood analysis using a sinusoidal distribution, one tries various values of amplitude A and phase angle Theta(0) of the distribution function. We show that these two methods are essentially equivalent to one another in spite of their different mathematical origins. Using the Rayleigh analysis, therefore, we can simply calculate A and Theta(0) which maximize the likelihood. Using the cumulative nature of the logarithmic likelihood, we can identify time intervals during which the periodicity is in operation. When a periodicity operates only in certain time intervals, it is important to identify these intervals. Mathematically, the above technique is applicable only to discrete events. However, with slight modifications we can apply this technique to general cases - periodicity analysis of measurements of continuously varying quantities.
Bai, T.↗
A proposed method for enhanced eigen-pair extraction using finite element methods: Theory and application
The paper covers two distinct parts: theory and application. The goal of this work was the reduction of model size with an increase in eigenvalue/vector accuracy. This method is ideal for the condensation of large truss- or beam-type structures. The theoretical approach involves the conversion of a continuum transfer matrix beam element into an 'Exact' dynamic stiffness element. This formulation is implemented in a finite element environment. This results in the need to solve a transcendental eigenvalue problem. Once the eigenvalue is determined the eigenvectors can be reconstructed with any desired spatial precision. No discretization limitations are imposed on the reconstruction. The results of such a combined finite element and transfer matrix formulation is a much smaller FEM eigenvalue problem. This formulation has the ability to extract higher eigenvalues as easily and as accurately as lower eigenvalues. Moreover, one can extract many more eigenvalues/vectors from the model than the number of degrees of freedom in the FEM formulation. Typically, the number of eigenvalues accurately extractable via the 'Exact' element method are at least 8 times the number of degrees of freedom. In contrast, the FEM usually extracts one accurate (within 5 percent) eigenvalue for each 3-4 degrees of freedom. The 'Exact' element results in a 20-30 improvement in the number of accurately extractable eigenvalues and eigenvectors.
Jara-Almonte, J.↗
On subsonic compressible flows by a method of correspondence II : application of methods to studies of flow with circulation about a circular cylinder
A general method for studying the flow of a compressible fluid around a closed body was discussed in Part I of this report. Here, application is made to the specific case in which the linearized equation of state is used. For a given incompressible flow around a specific profile, a corresponding compressible flow is found. The flow at infinity remains unchanged. Detailed studies are made of the flow with circulation around a unit circle, and velocity distributions are found for a wide range of Mach number and angle of attack. Comparisons are made with other methods.
GELBART ABE↗
Numerical study of a multigrid method with four smoothing methods for the incompressible Navier-Stokes equations in general coordinates
The performance of a linear multigrid method using four smoothing methods, called SCGS (Symmetrical Coupled GauBeta-Seidel), CLGS (Collective Line GauBeta-Seidel), SILU (Scalar ILU), and CILU (Collective ILU), is investigated for the incompressible Navier-Stokes equations in general coordinates, in association with Galerkin coarse grid approximation. Robustness and efficiency are measured and compared by application to test problems. The numerical results show that CILU is the most robust, SILU the least, with CLGS and SCGS in between. CLGS is the best in efficiency, SCGS and CILU follow, and SILU is the worst.
Zeng, S.↗
Macroporous Photonic Crystal Membrane, Methods of Making, and Methods of Use
In accordance with the purpose(s) of the present disclosure, as embodied and broadly described herein, embodiments of the present disclosure, in one aspect, relate to macroporous photonic crystal membranes, structures including macroporous photonic crystal membranes, devices including macroporous photonic crystal membranes, methods of using macroporous photonic crystal membranes, methods of making macroporous photonic crystal membranes, and the like.
Jiang, Peng↗