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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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A method for prediction of cell regulation to maximize cell growth rate while maintaining the solvent capacity of the cell. Prediction is formulated as an optimization problem using a thermodynamic framework that can leverage experimental data. We develop a formulation and variable initialization procedure that allows for computing solutions of the optimization with an interior point method
Repository for Kinetic Estimation Tool Capturing Heterogeneous Datasets Using Pyomo (KETCHUP), a flexible parameter estimation tool that leverages a primal-dual interior-point algorithm to solve a nonlinear programming (NLP) problem that identifies a set of parameters capable of recapitulating the steady-state fluxes and concentrations in wild-type and perturbed metabolic networks.
This software implements parallel versions of an interior-point solver, based on the publicly available ipopt solver. Here we have full control over the linear solver and our algorithm is fully parallel thus enabling scalability to large-scale optimization problems. This package also has a parallel implementation of a homotopy solver developed under the scalable methods for contact LDRD project 23-ERD-017. This solver is an mfem-based implementation of algorithm described in ``A filter trust-region Newton continuation method for nonlinear complementarity problems''. Cosmin G. Petra, Nai-Yuan Chiang, Jingyi Wang, Tucker Hartland, and Michael Puso (submitted), LLNL-JRNL-869761.
Due to the changing nature of the power grid, it is increasingly important to be able to solve a high-fidelity optimal power-flow models on large power networks. This high-fidelity problem, called AC Optimal Power Flow (ACOPF), is a nonlinear, nonconvex optimization problem. One of the few reliable ways of solving such a problem is interior point methods. These methods result in sparse linear systems where the coefficient matrix is symmetric, indefinite and nearly always ill-conditioned. As such, they are particularly challenging for sparse linear solvers and represent a considerable computational bottleneck in solving the ACOPF problem. In this paper, we introduce a repository of linear systems captured from ACOPF problems when solved by the open-source optimizer IPOPT. These matrices are meant to be used as a test suite for sparse linear solver development.
We propose to develop efficient algorithms and software for the SCOPF problem. We will employ an iterative approach that will: a) use linear subproblems and other active set filtering techniques to identify the most important contingencies and drastically reduce the SCOPF model size; b) solve SOCP relaxations of the reduced SCOPF to converge to the neighborhood of the global optimal solution and establish a lower bound on the solution, and; c) use a non-convex, nonlinear interior-point solver, Artelys Knitro, to converge quickly to the optimal solution. To identify the most effective approach, we will experiment with several techniques to identify the tradeoffs between contingency subproblem complexity and fast solvability.
On a high level, the larger project in question, HydroGEN, aims to develop software used for finding equations of state (EOS) to optimize catalyst configuration for H 2 production through water splitting. In particular, this summer project focused on solving the nonlinear equations used in fitting the equations. This problem involved using Python to solve a linear system with nonlinear constraints. In order for this to be achieved, Pyomo was used to build a model and the solver Ipopt, interior point optimizer, was used. Pyomo is a Python-based language developed at Sandia; it is an optimization modeling language. Rather than solving the entire problem at once, a toy problem was created, simplifying the problem down to the most important focus. This problem had a known solution, comparable to the calculated solution to assess accuracy and as progress was made towards finding solutions, complexity was gradually added to the problem. After building and solving the toy problem, it was found that it gave reasonably accurate solutions, better compared to the two existing solvers previously used with this project in terms of functionality. The solver is now ready for implementation into the project’s main software.
Elucidating cell regulation remains a challenging task due to the complexity of metabolism and the difficulty of experimental measurements. Here we present a method for prediction of cell regulation to maximize cell growth rate while maintaining the solvent capacity of the cell. Prediction is formulated as an optimization problem using a thermodynamic framework that can leverage experimental data. We develop a formulation and variable initialization procedure that allows for computing solutions of the optimization with an interior point method. The approach is applied to photoheterotrophic growth of Rhodospirilium rubrum using ethanol as a carbon source, which has applications to biosynthesis of ethylene production. Growth is captured as the rate of synthesis of amino acids into proteins, and synthesis of nucleotide triphoshaptes into RNA and DNA. The method predicts regulation that produces a high rate of protein and RNA synthesis while DNA synthesis is reduced close to zero in agreement with production of DNA being turned off for much of the cell cycle.
Film-positioning device uses magnets to hold X ray film for weld inspection in nonferrous structures, such as tanks, where access to interior points is difficult.
The inverse technique is used to obtain a mathematically and physically consistent solution of the flowfield in a nozzle from the mass generation surface through the supersonic region. The inverse method employs an assumed centerline function which is of the Cauchy type in that the values and the derivatives of the function are known. Since the Cauchy boundary conditions can give rise to numerical instabilities, the governing gasdynamic equations for rotational steady flow were transformed into a form which puts the geometry into a rectangular shape, and which spaces the network of interior points more finely in regions of the greatest gradients of the dependent variables. For arbitrarily specified centerline data, the solution of the governing flow equations may not exist, and if it does it may not depend continuously on the data.
An entirely rigorous method for the solution of the equations for radiative transfer based on the matrix operator theory is reviewed. The advantages of the present method are: (1) all orders of the reflection and transmission matrices are calculated at once; (2) layers of any thickness may be combined, so that a realistic model of the atmosphere can be developed from any arbitrary number of layers, each with different properties and thicknesses; (3) calculations can readily be made for large optical depths and with highly anisotropic phase functions; (4) results are obtained for any desired value of the surface albedo including the value unity and for a large number of polar and azimuthal angles; (5) all fundamental equations can be interpreted immediately in terms of the physical interactions appropriate to the problem; and (6) both upward and downward radiance can be calculated at interior points from relatively simple expressions.
This paper deals with observed processes in situations in which observations are available only when the state vector lies in certain regions. For linear autonomous observed processes, necessary and sufficient conditions are obtained for half-space observation regions. These results are shown to contain a theorem dual to a controllability result proved by the author for a linear autonomous control system whose control restraint set does not contain the origin as an interior point. Observability results relating to continuous observation systems and sampled data systems are presented, and an example of observing the state of an electrical network is given.
The Lagrange dual to a control problem is studied. The principal result based on the Hahn-Banach theorem proves that the dual problem has an optimal solution if there exists an interior point for the constraint set. A complementary slackness condition holds, if the primal problem has an optimal solution. A necessary and sufficient condition for the optimality of solutions to the primal and the dual problem is also presented.
Results obtained in the first part of this paper (1976), which studied forced baroclinic ocean motions in the linear equatorial unbounded case, are extended to the case of an ocean bounded by two meridians. A complete solution for the linear spin-up in response to a switched-on, x-dependent wind stress is obtained in terms of five components: the unbounded nonoscillatory response to the wind stress forcing; the inertia-gravity waves generated when the forcing switches on, together with their reflections; the quasi-geostrophic Rossby modes forming the eastern boundary response and a western boundary layer; and the equatorial Kelvin wave component of the western boundary response. Kelvin waves are generated if the forcings include a zonal wind component that is symmetric about the equator or an antisymmetric meridional wind stress. For non-Kelvin symmetries, spin-up occurs entirely by the effects of Rossby waves emanating from the eastern boundary. The state approaches the steady solution as increasing numbers of these reach an interior point. In Kelvin symmetries, the Rossby waves act to bring the sea surface tilt to the steady value and the spin-up of the tilt proceeds as in non-Kelvin cases.
A user's guide is presented for ACCESS-3, a research oriented program which combines dual methods and a collection of approximation concepts to achieve excellent efficiency in structural synthesis. The finite element method is used for structural analysis and dual algorithms of mathematical programming are applied in the design optimization procedure. This program retains all of the ACCESS-2 capabilities and the data preparation formats are fully compatible. Four distinct optimizer options were added: interior point penalty function method (NEWSUMT); second order primal projection method (PRIMAL2); second order Newton-type dual method (DUAL2); and first order gradient projection-type dual method (DUAL1). A pure discrete and mixed continuous-discrete design variable capability, and zero order approximation of the stress constraints are also included.
A tracking method for solving hyperbolic free boundary problems arising in fluid dynamics is presented. The principal feature of the new approach is that the implicit form is used to simultaneously treat both interior points and boundary conditions. In particular, the location of the free boundary (shock) surface is treated implicitly and coupled with all other unknowns. The method is presented in the context of unsteady one-dimensional flow in a variable area duct with an internal shock wave. The fully implicit method and other strategies for advancing the shock are compared for computing a steady solution via a time asymptotic approach. Issues regarding extension of the method to multiple dimensions are also discussed.
Stable crack-growth and fracture-toughness experiments were conducted using precracked specimens machined from LI-900 reusable surface insulation (RSI) tiles of the Space Shuttle thermal protection system (TPS) at room temperature. Similar fracture experiments were conducted on fracture specimens with preexisting cracks at the interface of the tile and the strain isolation pad (SIP). Stable crack growth was not observed in the LI-900 tile fracture specimens which had a fracture toughness of 12.0 kPa sq rt of m. The intermittent subcritical crack growth at the tile-pad interface of the fracture specimens was attributed to successive local pull-outs due to tensile overload in the LI-900 tile and cannot be characterized by linear elastic fracture mechanics. No subcritical interfacial crack growth was observed in the fracture specimens with densified LI-900 tiles where brittle fracture initiated at an interior point away from the densification.
The stress intensity factors (SIF) are calculated using the method of lines for the compact tension specimen in tensile and shear loading for curved crack fronts. For the purely elastic case, it was found that as the crack front curvature increases, the SIF value at the center of the specimen decreases while increasing at the surface. For the higher values of crack front curvatures, the maximum value of the SIF occurs at an interior point located adjacent to the surface. A thickness average SIF was computed for parabolically applied shear loading. These results were used to assess the requirements of ASTM standards E399-71 and E399-81 on the shape of crack fronts. The SIF is assumed to reflect the average stress environment near the crack edge.
A technique which characterizes the acoustics of generalized cavities with the minimum model possible is developed. All boundary element methods have two advantages over finite element methods: (1) the models are smaller; and (2) the assumed variable behavior, inherent in the method to allow discretization, is harmonic rather than polynomial. Further, IBEM often requires one rather than two numerical boundary integrals as required by DBEM. Thus, a quadratic, isoparametric IBEM program was developed. The source distribution in this solution is continuous and quadratically variable rather than continuous and constant. The program was also formulated to include the additional capability of interior point sources and impedance boundary conditions. To test the quadratic, isoparametric IBEM program, several simple cavity enclosure problems where studied. Results are shown.