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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 19 records
All sourcesNASA NTRSDOE OSTI
NASA NTRS1991

Kappa Group: The initial guess. A proposal in response to a commercial air transportation study

Kappa Aerospace presents their Aeroworld Aircraft, the Initial Guess (IG). This aircraft is designed to generate profit in the market which is currently controlled by the train and boat industry. The main priority of the design team was to develop an extremely efficient aircraft that could be sold at a reasonable price. The IG offers a quick and safe alternative to the existing means of transportation at a competitive price. The cruise velocity of 28 ft/sec. allows all flights to be between 20 and 45 minutes, which is a remarkable savings in time compared to travel by boat or train. The IG is propelled by a single Astro-05 engine with a Zinger 10-6 propeller. The Astro-05 is not an extremely powerful engine; however, it provides enough thrust to meet the design and safety requirements. The major advantage of the Astro-05 is that it is the most efficient engine available. The fuel efficiency of the Astro-05 is what puts the aircraft ahead of the competition. The money saved on an efficient engine can be passed on as lower ticket prices or increased revenue. The IG has a payload of 56 passengers and a wingspan of 7 ft. The 7 ft. wingspan allows the aircraft to fit into the gates of all of the cities that are targeted. Future endeavors of Kappa Aerospace will include fitting a stretch version of the IG with a larger propulsion system. This derivative aircraft will be able to carry more passengers and will be placed on the routes which have the greatest demand for travel. The fuselage and empennage are made of a wooden truss configuration, while the wing is made of a rib/spare configuration. The stress carrying elements are made of spruce, the nonstress carrying elements are made of balsa. The wing is removable for easy access into the fuselage. The easy access to the batteries will keep maintenance costs down.

Source record↗
NASA NTRS2013

Automating Initial Guess Generation for High Fidelity Trajectory Optimization Tools

Many academic studies in spaceflight dynamics rely on simplified dynamical models, such as restricted three-body models or averaged forms of the equations of motion of an orbiter. In practice, the end result of these preliminary orbit studies needs to be transformed into more realistic models, in particular to generate good initial guesses for high-fidelity trajectory optimization tools like Mystic. This paper reviews and extends some of the approaches used in the literature to perform such a task, and explores the inherent trade-offs of such a transformation with a view toward automating it for the case of ballistic arcs. Sample test cases in the libration point regimes and small body orbiter transfers are presented.

design process↗
NASA NTRS2009

An Optimal Initial Guess Generator for Entry Interface Targeters

If a pure numerical iterative approach is used, targeting entry interface (EI) conditions for nominal and abort return trajectories or for correction maneuvers can be computationally expensive. This paper describes an algorithm to obtain an optimal impulsive maneuver that generates a trajectory satisfying a set of EI targets: inequality constraints on longitude, latitude and azimuth and a fixed flight-path angle. Most of the calculations require no iterations, making it suitable for real-time applications or large trade studies. This algorithm has been used to generate initial guesses for abort trajectories during Earth-Moon transfers.

Senent, Juan S.↗
DOE OSTI2017

A geometric initial guess for localized electronic orbitals in modular biological systems

Recent first-principles molecular dynamics algorithms using localized electronic orbitals have achieved O(N) complexity and controlled accuracy in simulating systems with finite band gaps. However, accurately deter- mining the centers of these localized orbitals during simulation setup may require O(N 3 ) operations, which is computationally infeasible for many biological systems. We present an O(N) approach for approximating orbital centers in proteins, DNA, and RNA which uses non-localized solutions for a set of fixed-size subproblems to create a set of geometric maps applicable to larger systems. This scalable approach, used as an initial guess in the O(N) first-principles molecular dynamics code MGmol, facilitates first-principles simulations in biological systems of sizes which were previously impossible.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Multi-plane moment-of-fluid interface reconstruction in 3D

Moment-of-fluid (MOF) methods for interface reconstruction approximate the region occupied by material in each mesh element only through reference to its geometric moments. Here, we present a 3D MOF method that represents the material (POM) in each cell as the convex intersection of the cell and multiple half-spaces, each selected to minimize the least-squares error between computed moments of the approximated material and provided reference moments. This optimization problem is highly non-linear and non-convex, making the numerical result very sensitive to the initial guess. To create an effective initial guess in each cell, we construct an ellipsoid from 0th–2nd order reference moments such that its shape corresponds with that of the POM. Within this ellipsoid we inscribe a polyhedron, and initialize the minimization problem with the half-spaces defined by each of its faces. The inscribed polyhedron has minimally 4 faces, and using up to 3rd order moments permits optimization over up to 20 unknown values. We therefore define MOF methods that utilize 4, 5, or 6 half-spaces, correspondingly initialized with the faces of a single inscribed tetrahedron, triangular prism, or hexahedron. Stability of the non-linear optimization is further improved with a prepossessing step that normalizes the reference moments according to the axes of the reference ellipsoid. Using this approach, the non-linear least-squares solver reliably converges to a near-global minimum from a single initial guess. We demonstrate accuracy and robustness using single-cell and multi-cell examples over a wide spectrum of geometry. In particular, we demonstrate our ability to exactly reproduce several important and complex features defined by up to four half-spaces, such as corners, filaments, filament tips, and embedded material in the cell.

3D interface reconstruction↗
DOE OSTI2024

Enhancing Photosynthesis Simulation Performance in ESMs with Machine Learning-Assisted Solvers

When simulating vegetation dynamics, photosynthesis accounts for a large fraction of the computational cost in most Earth System Models (ESMs). This is largely since photosynthesis is represented as a system of nonlinear equations, and the solution requires the use of an initial guess followed by many iterations of the numerical solver to obtain a solution. We use machine learning (ML) to replicate the response surface of the model’s numerical solver to improve the choice of initial guess, therefore requiring fewer iterations to obtain a final solution. We implemented this test on the leaf-level calculations as well as at the canopy scale, and for both we observed fewer iterations of the photosynthesis solver when a ML-based initial guess was implemented. The model tested here is the Energy Exascale Earth System Model - Land Model (ELM). The ML-based algorithms used here are trained on simulations from the model itself and used only to improve the initial guess for the solver; therefore, the model maintains its own set of physics to obtain the final solution. This work shows novel ways to utilize ML-based methods to improve the performance of numerical solvers in ESMs.

Massoud, Elias [ORNL] (ORCID:0000000217725361)↗
NASA NTRS2024

End-to-End Mission Design & Trajectory Optimization

Need: A need exists for a generalized, robust, user-friendly and accessible end-to-end mission design optimization tool. Solution: Our solution to developing this capability was to interface two JSC tools—Copernicus and Genesis. Each of these tools has a specific area of the mission design process that it excels at. By utilizing them both, we can gain performance benefits not seen by either on their own. - Copernicus is a trajectory design and optimization software used for in-space trajectories around multiple bodies. - Genesis is a flight mechanics tool used to model ascent, entry, descent, and landing trajectories around a single planetary body. Year 1 was focused on combining these 2 software packages—allowing Copernicus to incorporate the ascent/descent capabilities of Genesis into the optimization problem—and developing this end-to-end mission design capability. Year 2 we focused on increasing the robustness of this capability by building the initial guess generator (IGG), which produces initial guesses based on simplifying assumptions and the physics of the problem. Year 3 of our project focused on utilizing the end-to-end mission design and optimization capabilities developed in the previous 2 years to analyze specific mission scenarios—scaling up from proof of concept to real analyses—capturing any resulting performance benefits, as well as addressing the Big Data challenges we’re faced with—namely, how we’re going to manage and interpret all the data that’s generated.

Kristin Nichols↗
NASA NTRS1989

Objective analysis of pseudostress over the Indian Ocean using a direct-minimization approach

A technique not previously used in objective analysis of meteorological data is used here to produce monthly average surface pseudostress data over the Indian Ocean. An initial guess field is derived and a cost functional is constructed with five terms: approximation to initial guess, approximation to climatology, a smoothness parameter, and two kinematic terms. The functional is minimized using a conjugate-gradient technique, and the weight for the climatology term controls the overall balance of influence between the climatology and the initial guess. Results from various weight combinations are presented for January and July 1984. Quantitative and qualitative comparisons to the subject analysis are made to find which weight combination provides the best results. The weight on the approximation to climatology is found to balance the influence of the original field and climatology.

Legler, David M.↗
NASA NTRS2017

Low-Thrust Trajectory Optimization with Simplified SQP Algorithm

The problem of low-thrust trajectory optimization in highly perturbed dynamics is a stressing case for many optimization tools. Highly nonlinear dynamics and continuous thrust are each, separately, non-trivial problems in the field of optimal control, and when combined, the problem is even more difficult. This paper de-scribes a fast, robust method to design a trajectory in the CRTBP (circular restricted three body problem), beginning with no or very little knowledge of the system. The approach is inspired by the SQP (sequential quadratic programming) algorithm, in which a general nonlinear programming problem is solved via a sequence of quadratic problems. A few key simplifications make the algorithm presented fast and robust to initial guess: a quadratic cost function, neglecting the line search step when the solution is known to be far away, judicious use of end-point constraints, and mesh refinement on multiple shooting with fixed-step integration.In comparison to the traditional approach of plugging the problem into a “black-box” NLP solver, the methods shown converge even when given no knowledge of the solution at all. It was found that the only piece of information that the user needs to provide is a rough guess for the time of flight, as the transfer time guess will dictate which set of local solutions the algorithm could converge on. This robustness to initial guess is a compelling feature, as three-body orbit transfers are challenging to design with intuition alone. Of course, if a high-quality initial guess is available, the methods shown are still valid.We have shown that endpoints can be efficiently constrained to lie on 3-body repeating orbits, and that time of flight can be optimized as well. When optimizing the endpoints, we must make a trade between converging quickly on sub-optimal endpoints or converging more slowly on end-points that are arbitrarily close to optimal. It is easy for the mission design engineer to adjust this trade based on the problem at hand.The biggest limitation to the algorithm at this point is that multi-revolution transfers (greater than 2 revolutions) do not work nearly as well. This restriction comes in because the relationship between node 1 and node N becomes increasingly nonlinear as the angular distance grows. Trans-fers with more than about 1.5 complete revolutions generally require the line search to improve convergence. Future work includes: Comparison of this algorithm with other established tools; improvements to how multiple-revolution transfers are handled; parallelization of the Jacobian computation; in-creased efficiency for the line search; and optimization of many more trajectories between a variety of 3-body orbits.

Parrish, Nathan L.↗
DOE OSTI2022

Enhancing high-fidelity nonlinear solver with reduced order model

Abstract We propose the use of reduced order modeling (ROM) to reduce the computational cost and improve the convergence rate of nonlinear solvers of full order models (FOM) for solving partial differential equations. In this study, a novel ROM-assisted approach is developed to improve the computational efficiency of FOM nonlinear solvers by using ROM’s prediction as an initial guess. We hypothesize that the nonlinear solver will take fewer steps to the converged solutions with an initial guess that is closer to the real solutions. To evaluate our approach, four physical problems with varying degrees of nonlinearity in flow and mechanics have been tested: Richards’ equation of water flow in heterogeneous porous media, a contact problem in a hyperelastic material, two-phase flow in layered porous media, and fracture propagation in a homogeneous material. Overall, our approach maintains the FOM’s accuracy while speeding up nonlinear solver by 18–73% (through suitable ROM-assisted FOMs). More importantly, the proximity of ROM’s prediction to the solution space leads to the improved convergence of FOMs that would have otherwise diverged with default initial guesses. We demonstrate that the ROM’s accuracy can impact the computational efficiency with more accurate ROM solutions, resulting in a better cost reduction. We also illustrate that this approach could be used in many FOM discretizations (e.g., finite volume, finite element, or a combination of those). Since our ROMs are data-driven and non-intrusive, the proposed procedure can easily lend itself to any nonlinear physics-based problem.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

Efficient and robust phase-split computations in the internal energy, volume, and moles ( UVN ) space

Phase-split computations in an isolated system, which in general may be defined as one where the total internal energy (U), volume (V), and the number of moles (N = N 1 , N 2 ,..., N n ) of the components are fixed at some specified set of values, involves the determination of the temperature (T), pressure (P), plus the amount and composition of the various phases that constitute the system. A simpler, but analogous problem is one where T, P, and N are specified instead. In TPN space, one may first perform a stability analysis to determine whether the system is stable, meaning whether at equilibrium it will split up into multiple phases or remain in single phase. If the single-phase state is unstable, the stability analysis reliably provides a good set of initial guesses in the subsequent phase-split computations. In UVN space, however, we demonstrate that the stability analysis (which is the main subject of our earlier study [1]) may not in general provide good enough initial guesses; we offer alternative strategies for setting up good initial guesses. Furthermore, we show that a combination of successive substitution iteration (SSI) and Newton's method---two iterative methods that are prevalent in the literature in TPN space---facilitates a robust and efficient algorithm for phase-split computations in isolated systems. Finally, this combination has so far not been applied in UVN space.

02 PETROLEUM↗
NASA NTRS1996

Conversion of Osculating Orbital Elements to Mean Orbital Elements

Orbit determination and ephemeris generation or prediction over relatively long elapsed times can be accomplished with mean elements. The most simple and efficient method for orbit determination, which is also known as epoch point conversion, performs the conversion of osculating elements to mean elements by iterative procedures. Previous epoch point conversion methods are restricted to shorter elapsed times with linear convergence. The new method presented in this paper calculates an analytic initial guess of the unknown mean elements from a first order theory of secular perturbations and computes a transition matrix with accurate numerical partials. It thereby eliminates the problem of an inaccurate initial guess and an identity transition matrix employed by previous methods. With a good initial guess of the unknown mean elements and an accurate transition matrix, converging osculating elements to mean elements can be accomplished over long elapsed times with quadratic convergence.

Der, Gim J.↗
DOE OSTI2018

Identifying arbitrary parameter zonation using multiple level set functions

In this paper, we extended the analytical level set method [1, 2] for identifying a piece-wisely heterogeneous (zonation) binary system to the case with an arbitrary number of materials with unknown material properties. In the developed level set approach, starting from an initial guess, the material interfaces are propagated through iterations such that the residuals between the simulated and observed state variables (hydraulic head) is minimized. We derived an expression for the propagation velocity of the interface between any two materials, which is related to the permeability contrast between the materials on two sides of the interface, the sensitivity of the head to permeability, and the head residual. We also formulated an expression for updating the permeability of all materials, which is consistent with the steepest descent of the objective function. The developed approach has been demonstrated through many examples, ranging from totally synthetic cases to a case where the flow conditions are representative of a groundwater contaminant site at the Los Alamos National Laboratory. These examples indicate that the level set method can successfully identify zonation structures, even if the number of materials in the model domain is not exactly known in advance. Although the evolution of the material zonation depends on the initial guess field, inverse modeling runs starting with different initial guesses fields may converge to the similar final zonation structure. These examples also suggest that identifying interfaces of spatially distributed heterogeneities is more important than estimating their permeability values.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Optical-property coefficient estimation of bulky medium in experiments with a succinctly analytical calculation

Diffuse optical imaging enables to reconstruct distribution of optical properties, absorption and scattering coefficients, in tissue for breast cancer detection based on diffusion equation with the help of the initial guess obtained from measured data. To estimate the initial guess of the optical-property coefficients, an analytical solution of diffusion equation can be used and compared with the measured data. The analytical solution for a homogeneous infinite medium can be obtained in the frequency domain, expressing that the photon intensity and the phase lag relative to the distance between source and detector in a linear relationship. In this study, a succinct calculation using the trigonometric relation is proposed to estimate the optical-property coefficients. A tank-type and a cylinder Lipovenoes phantoms with two concentrations of 1.25% and 2.5% are employed and measured for verification. It is found that the method proposed here shows better results and results in estimation errors of 0–14.81% for μ{sub a} and 20–42% for μ{sub s}′.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1972

Tests of a procedure for inserting satellite radiance measurements into a numerical circulation model.

Description of experiments designed to test the sensitivity of a new method for retrieving vertical temperature profiles from satellite radiance measurements to the initial guess of temperature distribution. Emphasis is placed on initial guesses of the kind that would be provided by a numerical model of the atmospheric circulation, with the objective of developing a procedure for direct use of satellite radiation measurements as input to a numerical forecasting scheme.

Hogan, J. S.↗
DOE OSTI2016

Recursive Factorization of the Inverse Overlap Matrix in Linear Scaling Quantum Molecular Dynamics Simulations

We present a reduced complexity algorithm to compute the inverse overlap factors required to solve the generalized eigenvalue problem in a quantum-based molecular dynamics (MD) simulation. Our method is based on the recursive iterative re nement of an initial guess Z of the inverse overlap matrix S. The initial guess of Z is obtained beforehand either by using an approximate divide and conquer technique or dynamically, propagated within an extended Lagrangian dynamics from previous MD time steps. With this formulation, we achieve long-term stability and energy conservation even under incomplete approximate iterative re nement of Z. Linear scaling performance is obtained using numerically thresholded sparse matrix algebra based on the ELLPACK-R sparse matrix data format, which also enables e cient shared memory parallelization. As we show in this article using selfconsistent density functional based tight-binding MD, our approach is faster than conventional methods based on the direct diagonalization of the overlap matrix S for systems as small as a few hundred atoms, substantially accelerating quantum-based simulations even for molecular structures of intermediate size. For a 4,158 atom water-solvated polyalanine system we nd an average speedup factor of 122 for the computation of Z in each MD step.

36 MATERIALS SCIENCE↗