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Results for “zeroth-order 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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29 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Derivative-free stochastic optimization via adaptive sampling strategies

In this paper, we present a novel derivative-free framework for solving unconstrained stochastic optimization problems. Many problems in fields ranging from simulation optimization to reinforcement learning to quantum computing involve settings where only stochastic function values are obtained via a zeroth-order oracle, which has no available gradient information and necessitates the usage of derivative-free optimization methodologies. Our approach includes estimating gradients using stochastic function evaluations and integrating adaptive sampling techniques to control the accuracy in these stochastic approximations. Our framework encapsulates several gradient estimation techniques, including standard finite-difference, Gaussian smoothing, sphere smoothing, randomized coordinate finite-difference, and randomized subspace finite-difference methods. We provide theoretical convergence guarantees for our framework and analyze the worst-case iteration and sample complexities associated with each gradient estimation method. Finally, we demonstrate the empirical performance of the methods on logistic regression and nonlinear least squares problems.

Adaptive sampling↗
NASA NTRS1990

Equilibrium models of self-gravitating inviscid disks resulting from the collapse of rotating clouds

A method is presented for the construction of velocity and surface density profiles of infinitely thin, self-gravitating disks formed from the collapse of spherical clouds, under the condition that the angular momentum of each material parcel is conserved. Results are presented for initially uniformly rotating clouds with density distributions varying as R exp -n and n = 0, 1, 2. The resulting disk surface density distributions are well represented by power laws in the cylindrical radius over most of their extent. The form of the zeroth-order approximation provides a useful representation of the final surface density function near the center for all three cases, and for n = 2 this result holds throughout the disk. This result is not generally true for the velocity functions, however.

Stemwedel, Sally W.↗
DOE OSTI2025

Multiscale astrobiology with the Vera C. Rubin Observatory Legacy Survey of Space and Time

The Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST) presents an unprecedented opportunity to advance the search for astrobiologically relevant data across diverse astronomical environments. Through its extensive imaging capabilities, LSST will enhance our inventory of Solar System objects and assess their potential astrobiological conditions. Beyond the Solar System, LSST will survey billions of stars, contributing to the detection of exoplanets, characterizing planetary atmospheres at a zeroth-order level, identifying transient phenomena, and exploring conditions within habitable zones. In this paper, we highlight LSST’s unique contribution to astrobiology, complementing other missions and expanding the search for life beyond Earth in the coming decades.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1993

Development of global/chemistry model for jet-fuel thermal stability based on observations from static and flowing experiments

Two global-chemistry models for oxidative deposition of jet fuels are evaluated by integrating them into a Computational Fluid Dynamics with Chemistry (CFDC) code. A previously developed two-step global-chemistry model was found to be insufficient to describe the thermal-oxidation and -deposition rates associated with a Jet-A fuel. A new global-chemistry model has been developed systematically based on observations from flowing and static experiments. The global-autoxidation reaction is modified such that the reaction rate becomes zeroth-order with respect to the dissolved oxygen concentration. The generation of deposit-forming precursor is coupled with the autoxidation reaction by introducing a radical species ROO. A formulation for the sticking probability has also been developed. Deposition profiles are well represented by this new model under a variety of temperature and flow conditions. The model correctly predicts the changes in magnitude and spatial location of the deposition peak due to changes in flow. The CFDC model, which is designed for flowing systems, has been extended to static experiments. The model incorporates a non-depleting species F(sub s) representing all non-oxygen compounds responsible for deposition. Static experiments were found to provide a useful and inexpensive method for estimating the concentration of F(sub s) in the fuel.

V. R. Katta↗
DOE OSTI2025

Second harmonic Bessel-Gauss beam shaping with elliptic axicon aberrations

The second harmonic (SH) of an axicon generated Bessel-Gauss beam is created through the nonlinear interaction of photons with a crystal, resulting in the energy doubling of the output photons. In this work, we show experimentally that in addition to frequency doubling, the SH of Bessel-Gauss beams under asymmetric aberrations from an elliptic axicon exhibit intriguing beam formation. Particularly, the central region of the SH beam profile is composed of two central spots of various geometries surrounded by nested ellipses; one of which is the configuration of two central gamma dots with similar radius knotted by nested ellipses for a zeroth-order Bessel-Gauss pump. These SH beams consistently maintain their spatial profile throughout propagation, reminiscing the behavior of screw dislocations in wave patterns. Our numerical simulations produce beam dynamics consistent with that of experiments and further implicate the remarkable interweaving of bright spots with dark vortices. This is especially noticeable when the beams dynamically oscillate along the optical axis, resulting in the genesis of spatially polarized beams with a knotted framework. The insights gained from our study establish a novel paradigm for exploring interactions of Bessel-like beams with vortex dynamics. This, in turn, has the potential to spark innovations in optical applications, fostering new methodologies to harness and manipulate complex light structures. Our experimental findings could spur new methods of generating logical states of light and new opportunities for material processing control. Published by the American Physical Society 2025

Wang, Tianhong (ORCID:0000000169104201)↗
NASA NTRS1993

A finite-element-based perturbation model for the rotordynamic analysis of shrouded pump impellers: Part 2: User's guide

This report describes the computational steps involved in executing a finite-element-based perturbation model for computing the rotor dynamic coefficients of a shrouded pump impeller or a simple seal. These arise from the fluid/rotor interaction in the clearance gap. In addition to the sample cases, the computational procedure also applies to a separate category of problems referred to as the 'seal-like' category. The problem, in this case, concerns a shrouded impeller, with the exception that the secondary, or leakage, passage is totally isolated from the primary-flow passage. The difference between this and the pump problem is that the former is analytically of the simple 'seal-like' configuration, with two (inlet and exit) flow-permeable stations, while the latter constitutes a double-entry / double-discharge flow problem. In all cases, the problem is that of a rotor clearance gap. The problem here is that of a rotor excitation in the form of a cylindrical whirl around the housing centerline for a smooth annular seal. In its centered operation mode, the rotor is assumed to give rise to an axisymmetric flow field in the clearance gap. As a result, problems involving longitudinal or helical grooves, in the rotor or housing surfaces, go beyond the code capabilities. Discarding, for the moment, the pre- and post-processing phases, the bulk of the computational procedure consists of two main steps. The first is aimed at producing the axisymmetric 'zeroth-order' flow solution in the given flow domain. Detailed description of this problem, including the flow-governing equations, turbulence closure, boundary conditions, and the finite-element formulation, was covered by Baskharone and Hensel. The second main step is where the perturbation model is implemented, with the input being the centered-rotor 'zeroth-order' flow solution and a prescribed whirl frequency ratio (whirl frequency divided by the impeller speed). The computational domain, in the latter case, is treated as three dimensional, with the number of computational planes in the circumferential direction being specified a priori. The reader is reminded that the deformations in the finite elements are all infinitesimally small because the rotor eccentricity itself is a virtual displacement. This explains why we have generically termed the perturbation model the 'virtually' deformable finite-element category. The primary outcome of implementing the perturbation model is the tangential and radial components, F(sub theta)(sup *) and F(sub r)(sup *) of the fluid-exerted force on the rotor surface due to the whirling motion. Repetitive execution of the perturbation model subprogram over a sufficient range of whirl frequency ratios, and subsequent interpolation of these fluid forces, using the least-square method, finally enable the user to compute the impeller rotor dynamic coefficients of the fluid/rotor interaction. These are the direct and cross-coupled stiffness, damping, and inertia effects of the fluid/rotor interaction.

Baskharone, Erian A.↗
NASA NTRS1976

Solution of the minimum time-to-climb problem by matched asymptotic expansions

Application of singular perturbation techniques to trajectory optimization problems of flight mechanics is discussed. The method of matched asymptotic expansions is used to obtain an approximate solution to the aircraft minimum time-to-climb problem. Outer, boundary-layer, and composite solutions are obtained to zeroth and first orders. A stability criterion is derived for the zeroth-order boundary-layer solutions (the theory requires a form of boundary-layer stability). A numerical example is considered for which it is shown that the stability criterion is satisfied and a useful numerical solution is obtained. The zeroth-order solution proves to be a poor approximation, but the first-order solution gives a good approximation for both the trajectory and the minimum time-to-climb. The computational cost of the singular perturbation solution is considerably less than that of a steepest descent solution. Thus singular perturbation methods appear to be promising for the solution of optimal control problems.

Ardema, M. D.↗
NASA NTRS1976

Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations for Z between 2 and 106

Electron binding energies in neutral atoms have been calculated relativistically, with the requirement of complete relaxation. Hartree-Fock-Slater wave functions served as zeroth-order eigenfunctions to compute the expectation of the total Hamiltonian. A first-order correction to the local approximation was thus included. Quantum-electrodynamic corrections were made. For all elements with atomic numbers ranging from 2 to 106, the following quantities are listed: total energies, electron kinetic energies, electron-nucleus potential energies, electron-electron potential energies consisting of electrostatic and Breit interaction (magnetic and retardation) terms, and vacuum polarization energies. Binding energies including relaxation are listed for all electrons in all atoms over the indicated range of atomic numbers. A self-energy correction is included for the 1s, 2s, and 2p(1/2) levels. Results for selected atoms are compared with energies calculated by other methods and with experimental values.

Huang, K.-N.↗
NASA NTRS1980

Asymptotic solution for the reflectivity of a very rough surface

Asymptotic solutions for the reflectivity of a very rough surface are obtained in closed form up to second order in variance of slope. The zeroth-order solution gives the reflectivity of a specular surface and the sum of the higher-order terms yields the net effect of the rough surface. Within the common regions of validity of small rms slope and incident angle not close to grazing, the result agrees very well with those obtained with numerical methods.

Tsang, L.↗
NASA NTRS1998

Bulk-Flow Analysis of Hybrid Thrust Bearings for Advanced Cryogenic Turbopumps

A bulk-flow analysis and computer program for prediction of the static load performance and dynamic force coefficients of angled injection, orifice-compensated hydrostatic/hydrodynamic thrust bearings have been completed. The product of the research is an efficient computational tool for the design of high-speed thrust bearings for cryogenic fluid turbopumps. The study addresses the needs of a growing technology that requires of reliable fluid film bearings to provide the maximum operating life with optimum controllable rotordynamic characteristics at the lowest cost. The motion of a cryogenic fluid on the thin film lands of a thrust bearing is governed by a set of bulk-flow mass and momentum conservation and energy transport equations. Mass flow conservation and a simple model for momentum transport within the hydrostatic bearing recesses are also accounted for. The bulk-flow model includes flow turbulence with fluid inertia advection, Coriolis and centrifugal acceleration effects on the bearing recesses and film lands. The cryogenic fluid properties are obtained from realistic thermophysical equations of state. Turbulent bulk-flow shear parameters are based on Hirs' model with Moody's friction factor equations allowing a simple simulation for machined bearing surface roughness. A perturbation analysis leads to zeroth-order nonlinear equations governing the fluid flow for the thrust bearing operating at a static equilibrium position, and first-order linear equations describing the perturbed fluid flow for small amplitude shaft motions in the axial direction. Numerical solution to the zeroth-order flow field equations renders the bearing flow rate, thrust load, drag torque and power dissipation. Solution to the first-order equations determines the axial stiffness, damping and inertia force coefficients. The computational method uses well established algorithms and generic subprograms available from prior developments. The Fortran9O computer program hydrothrust runs on a Windows 95/NT personal computer. The program, help files and examples are licensed by Texas A&M University Technology License Office. The study of the static and dynamic performance of two hydrostatic/hydrodynamic bearings demonstrates the importance of centrifugal and advection fluid inertia effects for operation at high rotational speeds. The first example considers a conceptual hydrostatic thrust bearing for an advanced liquid hydrogen turbopump operating at 170,000 rpm. The large axial stiffness and damping coefficients of the bearing should provide accurate control and axial positioning of the turbopump and also allow for unshrouded impellers, therefore increasing the overall pump efficiency. The second bearing uses a refrigerant R134a, and its application in oil-free air conditioning compressors is of great technological importance and commercial value. The computed predictions reveal that the LH2 bearing load capacity and flow rate increase with the recess pressure (i.e. increasing orifice diameters). The bearing axial stiffness has a maximum for a recess pressure rati of approx. 0.55. while the axial damping coefficient decreases as the recess pressure ratio increases. The computer results from three flow models are compared. These models are a) inertialess, b) fluid inertia at recess edges only, and c) full fluid inertia at both recess edges and film lands. The full inertia model shows the lowest flow rates, axial load capacity and stiffness coefficient but on the other hand renders the largest damping coefficients and inertia coefficients. The most important findings are related to the reduction of the outflow through the inner radius and the appearance of subambient pressures. The performance of the refrigerant hybrid thrust bearing is evaluated at two operating speeds and pressure drops. The computed results are presented in dimensionless form to evidence consistent trends in the bearing performance characteristics. As the applied axial load increases, the bearing film thickness and flow rate decrease while the recess pressure increases. The axial stiffness coefficient shows a maximum for a certain intermediate load while the damping coefficient steadily increases. The computed results evidence the paramount of centrifugal fluid inertia at low recess pressures (i.e. low loads), and where there is actually an inflow through the bearing inner diameter, accompanied by subambient pressures just downstream of the bearing recess edge. These results are solely due to centrifugal fluid inertia and advection transport effects. Recommendations include the extension of the computer program to handle flexure pivot tilting pad hybrid bearings and the ability to calculate moment coefficients for shaft angular misalignments.

SanAndres, Luis↗
NASA NTRS1979

Finite-field Calculations of Molecular Polarizabilities Using Field-Induced Polarization Functions: Second- and Third-order Perturbation Correlation Corrections to the Coupled Hartree-Fock Polarizability of H2O

Ordinary Rayleigh-Schroudinger perturbation theory with Moller-Plesset (RSMP) partitioning is used to calculate second- and third-order correlation corrections to the CHF polarizability and dipole moment of the water molecule by a finite-field procedure. Pade approximants are found to be useful in accelerating the convergence of the property perturbation expansions. Field-induced polarization functions suitable for polarizability calculations are determined. The average polarizability calculated, neglecting vibrational averaging, with Dunning's (9s5p/4s-4s2p/2s) contracted GTO basis set augmented by field-induced lslp2d/lp polarization functions is within 3 per cent of the experimental result. Correlation corrections to the dipole moment and polarizability of the water molecule calculated by the finite-field RSMP and single + double excitation CI(SDCI) methods for the same basis set are found to be in close agreement. The RSMP approach has the advantages of being size-consistent and of being capable of greater efficiency than the SCDI method. Comparative calculations carried out using Epstein-Nesbet partitioning show that through third order RSEN correlation perturbation expansions for the dipole moment and polarizability are less rapidly convergent than RSMP expansions. However, reasonable accord with RSMP results can be achieved by using Pade approximants to accelerate the convergence of RSEN energy perturbation expansions. The convergence of RSMP property correlation expansions based on the zeroth-order uncoupled-Hartree-Fock (UCHF) and coupled-Hartree-Fock (CHF) approximations are compared through third order. Whereas the CHF + RSMP expansions are for practical purposes fully converged, the UCHF + RSMP expansions are not adequately converged.

Langhoff, S. R.↗