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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 343 records · Page 19

Topology property analysis and application of stable time-delay regions for linear multiple time-delay systems

This study examines the relationship between the topology of stable time-delay regions and the stability analysis of an linear multiple time delay system. To analyze the topology of stable time-delay regions, we construct a function with a value equal to zero for the time-delay points on the boundaries of stable time-delay regions. The function is continuous and differentiable in the whole defining field with a global minimum of zero so that we can locate the boundaries by minimizing the value of the function. Based on the topology analysis, we proposed a performance validation approach for controllers that are designed to stabilize the system using feedback signals with time delays. The method based on the topology analysis is simple and reliable so that can deal with a linear time-invariant system with high order and multiple time delays (more than 3). The example case study shows that the above method is reliable and enables ultra-low latency coordination and control for the future power grid with ubiquitous power electronics.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Artifacts Introduced in the Point Evaluation of Functions Expanded into a Degree 360 Spherical Harmonic Series

An expansion of a function initially given in 1deg cells was carried out to degree 360 by using 30'cells whose value was initially assigned to be the value of the 1deg cell in which it fell. The evaluation of point values of the function from the degree 360 expansion revealed spurious patterns attributed to the coefficients from degree 181 to 360. Expansion of the original function in 1deg cells to degree 180 showed no problems in the point evaluation. Mean 1deg values computed from both degree 180 to 360 expansions showed close agreement with the original function. The artifacts could be removed if the 30' values were interpolated by spline procedures from adjacent I' cells. These results led to an examination of the gravity anomalies and geoid undulations from EGM96 in areas where I' values were "split up" to form 30'cells. The area considered was 75degS to 85degS, 100degE to 120degE where the split up cells were basically south of 81 degS. A small, latitude related, and possibly spurious effect might be detectable in anomaly variations in the region. These results suggest that point values of a function computed from a high degree expansion may have spurious signals unless the cell size is compatible with the maximum degree of expansion. The spurious signals could be eliminated by using a spline interpolation procedure to obtain the 30'values from the 1deg values.

Rapp, R.↗

Parallelized hybrid optimization methods for nonsmooth problems using NOMAD and linesearch

Two parallelized hybrid methods are presented for single-function optimization problems with side constraints. The optimization problems are difficult not only due to possible existence of local minima and nonsmoothness of functions, but also due to the fact that objective function and constraint values for a solution vector can only be obtained by querying a black box whose execution requires considerable computational effort. Examples are optimization problems in Engineering where objective function and constraint values are computed via complex simulation programs, and where local minima exist and smoothness of functions is not assured. The hybrid methods consist of the well-known method NOMAD and two new methods called DENCON and DENPAR that are based on the linesearch scheme CS-DFN. The hybrid methods compute for each query a set of solution vectors that are evaluated in parallel. The hybrid methods have been tested on a set of difficult optimization problems produced by a certain seeding scheme for multiobjective optimization. We compare computational results with solution by NOMAD, DENCON, and DENPAR as stand-alone methods. It turns out that among the stand-alone methods, NOMAD is significantly better than DENCON and DENPAR. However, the hybrid methods are definitely better than NOMAD.

97 MATHEMATICS AND COMPUTING↗

Reliability-Based Design Optimization of a Composite Airframe Component

A stochastic optimization methodology (SDO) has been developed to design airframe structural components made of metallic and composite materials. The design method accommodates uncertainties in load, strength, and material properties that are defined by distribution functions with mean values and standard deviations. A response parameter, like a failure mode, has become a function of reliability. The primitive variables like thermomechanical loads, material properties, and failure theories, as well as variables like depth of beam or thickness of a membrane, are considered random parameters with specified distribution functions defined by mean values and standard deviations.

Pai, Shantaram S.↗

Binary optimal control by trust-region steepest descent

Abstract We present a trust-region steepest descent method for dynamic optimal control problems with binary-valued integrable control functions. Our method interprets the control function as an indicator function of a measurable set and makes set-valued adjustments derived from the sublevel sets of a topological gradient function. By combining this type of update with a trust-region framework, we are able to show by theoretical argument that our method achieves asymptotic stationarity despite possible discretization errors and truncation errors during step determination. To demonstrate the practical applicability of our method, we solve two optimal control problems constrained by ordinary and partial differential equations, respectively, and one topological optimization problem.

97 MATHEMATICS AND COMPUTING↗

Path integrals, complex probabilities and the discrete Weyl representation

Abstract A discrete formulation of the real-time path integral as the expectation value of a functional of paths with respect to a complex probability on a sample space of discrete valued paths is explored. The formulation in terms of complex probabilities is motivated by a recent reinterpretation of the real-time path integral as the expectation value of a potential functional with respect to a complex probability distribution on cylinder sets of paths. The discrete formulation in this work is based on a discrete version of the Weyl algebra that can be applied to any observable with a finite number of outcomes. The origin of the complex probability in this work is the completeness relation. In the discrete formulation the complex probability exactly factors into products of conditional probabilities and exact unitarity is maintained at each level of approximation. The approximation of infinite dimensional quantum systems by discrete systems is discussed. The method is illustrated by applying it to scattering theory and quantum field theory. The implications of these applications for quantum computing is discussed.

Physics↗

Hydrogen Activation by Silica Supported Metal Ion Catalysts: Catalytic Properties of Metals and Performance of DFT Functionals

Single-site heterogeneous catalysts (SSHC) have received increasing attention due to their well-defined active sites and potentially high specific activity. Detailed computational studies were carried out on a set of potential SSHC’s, i.e., silica-supported metal ions, to investigate the reactivity of these catalysts with H2 as well as to evaluate the performance of density functional theory (DFT) methods in conjunction with triple-ζ quality basis sets (i.e., cc-pVTZ) on reaction energetics. The ions considered include 4d and 5d metals as well as several post-transition metal ions. A representative cluster model of silica is used to calculate reaction free energies of the metal hydride formation that results from the heterolytic cleavage of H2 on the M–O bond. The hydride formation free energy is previously shown to be strongly correlated with the catalytic activity of such catalysts for alkene hydrogenation. ONIOM calculations (CCSD(T)//MP2) are used to assess the accuracy and reliability of the MP2 results and it is found that MP2 is a suitable level of theory for gauging the performance of DFT functionals. The performance of various DFT functionals is assessed relative to MP2 results and it is found that the wB97xd and PBE0 functionals have the lowest standard deviation (STD) value while the MN12SX and PBE functionals have the lowest mean absolute deviation (MAD) values. The B3LYP functional is shown to have similar MAD and STD values as the top performing functionals. Potential active SSHC’s for exergonic hydrogen activation predicted in this study include mostly late and post transition metal ions, i.e., Au3+, Pd2+, Pt4+, Pd4+, Ir4+, Hg2+, Rh3+, Pb4+, Tl3+, In3+, Ir3+, Os4+, Cd2+, Ru2+, and Ga3+. This study provides important guidance to future computational studies of such catalyst systems.

Plascencia, Cesar↗

A Hypergeometric Mean Value

Generalization of hypergeometric mean value from hypergeometric function without loss of homogeneity - derivation and properties of hypergeometric mean value

HYPERGEOMETRIC FUNCTION↗

Surface Modification of a MXene by an Aminosilane Coupling Agent

MXenes, two–dimensional (2D) transition metal carbides and/or nitrides, possess surface termination groups such as hydroxyl, oxygen, and fluorine, which are available for surface functionalization. Their surface chemistry is critical in many applications. This article reports amine functionalization of Ti 3 C 2 T x MXene surface with [3–(2–aminoethylamino)–propyl]trimethoxysilane (AEAPTMS). Characterization techniques such as X–ray photoelectron spectroscopy verify the success of the surface functionalization and confirm that the silane coupling agent bonds to Ti 3 C 2 T x surface both physically and chemically. The functionalization changes the MXene surface charge from –35 to +25 mV at neutral pH, which allows for in situ preparation of self–assembled films. Further, surface charge measurements of the functionalized MXene at different pH values show that the functionalized MXene has an isoelectric point at a pH around 10.7, and the highest reported positive surface charge of +62 mV at a pH of 2.58. Furthermore, the existence of a mixture of different orientations of AEAPTMS and the simultaneous presence of protonated and free amine groups on the surface of Ti 3 C 2 T x are demonstrated. As a result, the availability of free amine groups on the surface potentially permits the fabrication of crosslinked electrically conductive MXene/epoxy composites, dye adsorbents, high–performance membranes, and drug carriers. Surface modifications of this type are applicable to many other MXenes.

36 MATERIALS SCIENCE↗

Bivariate extreme value distributions

In certain engineering applications, such as those occurring in the analyses of ascent structural loads for the Space Transportation System (STS), some of the load variables have a lower bound of zero. Thus, the need for practical models of bivariate extreme value probability distribution functions with lower limits was identified. We discuss the Gumbel models and present practical forms of bivariate extreme probability distributions of Weibull and Frechet types with two parameters. Bivariate extreme value probability distribution functions can be expressed in terms of the marginal extremel distributions and a 'dependence' function subject to certain analytical conditions. Properties of such bivariate extreme distributions, sums and differences of paired extremals, as well as the corresponding forms of conditional distributions, are discussed. Practical estimation techniques are also given.

Elshamy, M.↗

Finding Every Root of a Broad Class of Real, Continuous Functions in a Given Interval

One of the most pervasive needs within the Deep Space Network (DSN) Metric Prediction Generator (MPG) view period event generation is that of finding solutions to given occurrence conditions. While the general form of an equation expresses equivalence between its left-hand and right-hand expressions, the traditional treatment of the subject subtracts the two sides, leaving an expression of the form Integral of(x) = 0. Values of the independent variable x satisfying this condition are roots, or solutions. Generally speaking, there may be no solutions, a unique solution, multiple solutions, or a continuum of solutions to a given equation. In particular, all view period events are modeled as zero crossings of various metrics; for example, the time at which the elevation of a spacecraft reaches its maximum value, as viewed from a Deep Space Station (DSS), is found by locating that point at which the derivative of the elevation function becomes zero. Moreover, each event type may have several occurrences within a given time interval of interest. For example, a spacecraft in a low Moon orbit will experience several possible occultations per day, each of which must be located in time. The MPG is charged with finding all specified event occurrences that take place within a given time interval (or pass ), without any special clues from operators as to when they may occur, for the entire spectrum of missions undertaken by the DSN. For each event type, the event metric function is a known form that can be computed for any instant within the interval. A method has been created for a mathematical root finder to be capable of finding all roots of an arbitrary continuous function, within a given interval, to be subject to very lenient, parameterized assumptions. One assumption is that adjacent roots are separated at least by a given amount, xGuard. Any point whose function value is less than ef in magnitude is considered to be a root, and the function values at distances xGuard away from a root are larger than ef, unless there is another root located in this vicinity. A root is considered found if, during iteration, two root candidates differ by less than a pre-specified ex, and the optimum cubic polynomial matching the function at the end and at two interval points (that is within a relative error fraction L at its midpoint) is reliable in indicating whether the function has extrema within the interval. The robustness of this method depends solely on choosing these four parameters that control the search. The roots of discontinuous functions were also found, but at degraded performance.

Tausworthe, Robert C.↗

Resilience Service Framework Using Transactive Systems Valuation Methodology

Recent outage events have spurred national and international interest in improving grid resilience. Actions to make the grid more resilient must be valued against their costs and benefits. This is the goal of this report. We explore a resilience valuation framework, where the services procured by the utility are arranged such that the values associated with them are pinpointed. This is demonstrated by utilizing various diagrams developed in Pacific Northwest National Laboratory’s Transactive System Program, called the Transactive Systems Valuation Methodology (TSVM). We show that TSVM can be utilized to guide traditional valuation methodologies such as integrated resource planning so that resilience considerations can be embedded. This report demonstrates this using a three-step procedure: (1) a use case is developed to define functional requirements, (2) value identification of the utility and the actors with which it interacts (both inside and outside its internal functions), and (3) value tracking of activity performed by actors interacting with the utility while services are procured to enable a resilient grid.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Modeling of Some Coplanar Waveguide Discontinuities

Presented are lumped equivalent circuit models for several coplanar waveguide discontinuities such as an open circuit, a series gap, and a symmetric step, and their element values as a function of the discontinuity physical dimensions. The model element values are de-embedded from measured S-parameters. The frequency dependence of the effective dielectric constant was measured and compared to computed values.

Simons, Rainee N.↗

Modeling of some coplanar waveguide discontinuities

Presented are lumped equivalent circuit models for several coplaar waveguide discontinuities such as an open circuit, a series gap, and a symmetric step, and their element values as a function of the discontinuity physical dimensions. The model element values are de-embedded from measured S parameters. The frequency dependence of the effective dielectric constant is measured and compared to computed values.

Simons, Rainee N.↗

Accelerating Learning By Neural Networks

Electronic neural networks made to learn faster by use of terminal teacher forcing. Method of supervised learning involves addition of teacher forcing functions to excitations fed as inputs to output neurons. Initially, teacher forcing functions are strong enough to force outputs to desired values; subsequently, these functions decay with time. When learning successfully completed, terminal teacher forcing vanishes, and dynamics or neural network become equivalent to those of conventional neural network. Simulated neural network with terminal teacher forcing learned to produce close approximation of circular trajectory in 400 iterations.

Toomarian, Nikzad↗

The Theory of Propellers I : Determination of the Circulation Function and the Mass Coefficient for Dual-Rotating Propellers

Values of the circulation function have been obtained for dual-rotating propellers. Numerical values are given for four, eight, and twelve-blade dual-rotating propellers and for advance ratios from 2 to about 6. In addition, the circulation function has been determine for single-rotating propellers for the higher values of the advance ratio. The mass coefficient, another quantity of significance in propeller theory, has been introduced.

Theodorsen, Theodore↗

Use of Green's functions in the numerical solution of two-point boundary value problems

This study investigates the use of Green's functions in the numerical solution of the two-point boundary value problem. The first part deals with the role of the Green's function in solving both linear and nonlinear second order ordinary differential equations with boundary conditions and systems of such equations. The second part describes procedures for numerical construction of Green's functions and considers briefly the conditions for their existence. Finally, there is a description of some numerical experiments using nonlinear problems for which the known existence, uniqueness or convergence theorems do not apply. Examples here include some problems in finding rendezvous orbits of the restricted three body system.

Gallaher, L. J.↗