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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
NASA NTRS2016

The Impact of ARM on Climate Modeling

Climate models are among humanity's most ambitious and elaborate creations. They are designed to simulate the interactions of the atmosphere, ocean, land surface, and cryosphere on time scales far beyond the limits of deterministic predictability, and including the effects of time-dependent external forcings. The processes involved include radiative transfer, fluid dynamics, microphysics, and some aspects of geochemistry, biology, and ecology. The models explicitly simulate processes on spatial scales ranging from the circumference of the Earth down to one hundred kilometers or smaller, and implicitly include the effects of processes on even smaller scales down to a micron or so. The atmospheric component of a climate model can be called an atmospheric global circulation model (AGCM). In an AGCM, calculations are done on a three-dimensional grid, which in some of today's climate models consists of several million grid cells. For each grid cell, about a dozen variables are time-stepped as the model integrates forward from its initial conditions. These so-called prognostic variables have special importance because they are the only things that a model remembers from one time step to the next; everything else is recreated on each time step by starting from the prognostic variables and the boundary conditions. The prognostic variables typically include information about the mass of dry air, the temperature, the wind components, water vapor, various condensed-water species, and at least a few chemical species such as ozone. A good way to understand how climate models work is to consider the lengthy and complex process used to develop one. Lets imagine that a new AGCM is to be created, starting from a blank piece of paper. The model may be intended for a particular class of applications, e.g., high-resolution simulations on time scales of a few decades. Before a single line of code is written, the conceptual foundation of the model must be designed through a creative envisioning that starts from the intended application and is based on current understanding of how the atmosphere works and the inventory of mathematical methods available.

atmospheric circulation↗
NASA NTRS2016

Cryovolcanic Emplacement of Domes on Europa

Here we explore the hypothesis that certain domes on Europa may have been produced by the extrusion of viscous cryolavas. A new mathematical method for the emplacement and relaxation of viscous lava domes is presented and applied to putative cryovolcanic domes on Europa. A similarity solution approach is applied to the governing equation for fluid flow in a cylindrical geometry, and dome relaxation is explored assuming a volume of cryolava has been rapidly emplaced onto the surface. Nonphysical sin- gularities inherent in previous models for dome relaxation have been eliminated, and cryolava cooling is represented by a time-variable viscosity. We find that at the onset of relaxation, bulk kinematic viscosities may lie in the range between 10(exp 3) and 10(exp 6) sq m/s, while the actual fluid lava viscosity may be much lower. Plausible relaxation times to form the domes, which are linked to bulk cryolava rheology, are found to range from 3.6 days to 7.5 years. We find that cooling of the cryolava, while dominated by conduction through an icy skin, should not prevent fluids from advancing and relaxing to form domes within the timescales considered. Determining the range of emplacement conditions for putative cryolava domes will shed light on Europa's resurfacing history. In addition, the rheologies and compositions of erupted cryolavas have implications for subsurface cryomagma ascent and local surface stress conditions on Europa.

volcanism↗
NASA NTRS2019

Provably Correct Floating-Point Implementation of a Point-In-Polygon Algorithm

The problem of determining whether or not a point lies inside a given polygon occurs in many applications. In air traffic management concepts, a correct solution to the point-in-polygon problem is critical to geofencing systems for Unmanned Aerial Vehicles and in weather avoidance applications. Many mathematical methods can be used to solve the point-in-polygon problem. Unfortunately, a straightforward floating- point implementation of these methods can lead to incorrect results due to round-off errors. In particular, these errors may cause the control flow of the program to diverge with respect to the ideal real-number algorithm. This divergence potentially results in an incorrect point-in- polygon determination even when the point is far from the edges of the polygon. This paper presents a provably correct implementation of a point-in-polygon method that is based on the computation of the winding number. This implementation is mechanically generated from a source- to-source transformation of the ideal real-number specification of the algorithm. The correctness of this implementation is formally verified within the Frama-C analyzer, where the proof obligations are discharged using the Prototype Verification System (PVS).

Moscato, Mariano M.↗
NASA NTRS2019

Decomposition of Electron Ionization Mass Spectra for Space Application Using a Monte-Carlo approach

Rationale: Quadrupole mass spectrometers equipped with an electron ionization (EI) sources have been widely used in space exploration to investigate the composition of planetary surfaces and atmospheres. However, the complexity of the samples and the minimal calibration for the fragmentation of molecules in the ionization chambers have prevented the deconvolution of the majority of the mass spectra obtained at different targets, thus limiting the determination of the exact composition of the samples analyzed. We propose a Monte‐Carlo approach to solve this issue mathematically. Methods: We decomposed simulated mass spectra of mixtures acquired with unit resolving power mass spectrometers and EI sources into the sum of the single components fragmentation patterns weighted by their relative concentration using interior‐point least‐square fitting. To fit compounds with poorly known fragmentation patterns, we used a Monte‐Carlo method to vary the intensity of individual fragment ions. We then decomposed the spectrum thousands of times to obtain a statistical distribution. Results: By performing the deconvolution on a mixture of seven different molecules with interfering fragmentation patterns (H2O, O2, CH4, Ar, N2, C2H4, and C2H6) we show that this approach retrieves the mixing ratio of the individual components more accurately than regular mass spectra decomposition methods that rely on fragmentation patterns from general databases. It also provides the probability density function for each species's mixing ratio. Conclusions: By removing the solution degeneracy in the decomposition of mass spectra, the method described herein could significantly increase the scientific retrieval from archived space flight mass spectrometry data, where calibration of the ionization source is no longer an option.

Thomas Gautier↗
NASA NTRSDate not supplied

A Physics-Based Work-Energy Formulation for Real-Time Trajectory Guidance of A Lunar Lander

Throughout the years, many researchers have calculated and optimized trajectory solutions for lunar landing systems by employing sophisticated mathematical methods, that include: Hamilton’s Principle of Variation, Pontryagin’s maximum principle, and well known convex-optimization techniques among others. Many of these approaches typically require expensive computational resources to achieve convergence in the solution. In an effort to reduce complexity and the computational load required to obtain real-time guidance commands, a simple physics-based work-energy approach has been formulated. This approach is based on the dissipation of the mechanical energy of the vehicle to its final desired energy state required to achieve a safe landing. The rocket engine(s) employed during landing (among other maneuvers) dissipates mechanical energy by both doing work against the velocity vector of the vehicle (thus defining the trajectory path), and by jettisoning mass. Therefore, by solving the energy dissipation problem at every step of the maneuver, a much simpler formulation that naturally and quickly attains convergence is obtained. This formulation is not limited to approach, landing, and divert maneuvers, but in principle it can be employed during de-orbiting, braking burn, ascent, as well as orbit insertion.

Guidance↗
NASA NTRSDate not supplied

A Physics-Based Work-Energy Formulation for Real-Time Trajectory Guidance of a Lunar Lander

Throughout the years, many researchers have calculated and optimized trajectory solutions for lunar landing systems by employing sophisticated mathematical methods, that include: Hamilton’s Principle of Variation, Pontryagin’s maximum principle, and well known convex-optimization techniques among others. Many of these approaches typically require expensive computational resources to achieve convergence in the solution. In an effort to reduce complexity and the computational load required to obtain real-time guidance commands, a simple physics-based work-energy approach has been formulated. This approach is based on the dissipation of the mechanical energy of the vehicle to its final desired energy state required to achieve a safe landing. The rocket engine(s) employed during landing (among other maneuvers) dissipates mechanical energy by both doing work against the velocity vector of the vehicle (thus defining the trajectory path), and by jettisoning mass. Therefore, by solving the energy dissipation problem at every step of the maneuver, a much simpler formulation that naturally and quickly attains convergence is obtained. This formulation is not limited to approach, landing, and divert maneuvers, but in principle it can be employed during de-orbiting, braking burn, ascent, as well as orbit insertion.

Guidance↗
NASA NTRS1986

Mathematical aspects of finite element methods for incompressible viscous flows

Mathematical aspects of finite element methods are surveyed for incompressible viscous flows, concentrating on the steady primitive variable formulation. The discretization of a weak formulation of the Navier-Stokes equations are addressed, then the stability condition is considered, the satisfaction of which insures the stability of the approximation. Specific choices of finite element spaces for the velocity and pressure are then discussed. Finally, the connection between different weak formulations and a variety of boundary conditions is explored.

Gunzburger, M. D.↗
NASA NTRS1984

Formal verification of mathematical software

Methods are investigated for formally specifying and verifying the correctness of mathematical software (software which uses floating point numbers and arithmetic). Previous work in the field was reviewed. A new model of floating point arithmetic called the asymptotic paradigm was developed and formalized. Two different conceptual approaches to program verification, the classical Verification Condition approach and the more recently developed Programming Logic approach, were adapted to use the asymptotic paradigm. These approaches were then used to verify several programs; the programs chosen were simplified versions of actual mathematical software.

Sutherland, D.↗
NASA NTRS1980

Comments on numerical solution of boundary value problems of the Laplace equation and calculation of eigenvalues by the grid method

The mathematics involved in numerically solving for the plane boundary value of the Laplace equation by the grid method is developed. The approximate solution of a boundary value problem for the domain of the Laplace equation by the grid method consists of finding u at the grid corner which satisfies the equation at the internal corners (u=Du) and certain boundary value conditions at the boundary corners.

Lyusternik, L. A.↗
DOE OSTI2025

Mapping Local Dissipation and Entropy Production in Complex and Active Fluids

While global entropy production provides a measure of irreversibility, its partitioning into contributions from local regions is key to understanding the mechanisms underlying time-reversal symmetry breaking in complex systems and active matter. Here, by analyzing local heat flows and fluxes, we propose a framework that enables the mapping of local dissipation and entropy production in a nonequilibrium system. We test this approach in simulations of fluids driven through complex environments and active systems. We connect the results across the local and global scales by showing that local dissipation and entropy production satisfy a local version of the usual (global) fluctuation theorem, which accounts for the correlations between the local region and its surroundings. Interestingly, in the case of the active fluid, our analysis reveals that these correlations are of opposite signs for the active (stochastic) and passive (deterministic) contributions to local dissipation.

Entropy↗
NASA NTRS1978

Extending reliability: Transformational tailoring of abstract mathematical software

Methods for automatically constructing concrete executable programs from an abstract prototype program by applying transformations based on theorems of matrix algebra and on algebraic properties of programming languages are described. These methods provide a user with highly efficient programs tailored to his environment while maintaining the advantages of high reliability and low cost associated with routines from the best mathematical software libraries. Also, the transformations which produce such programs represent a formal codification of rules for writing linear algebra programs.

Boyle, J. M.↗
NASA NTRS1990

Hyperbolic conservation laws and numerical methods

The mathematical structure of hyperbolic systems and the scalar equation case of conservation laws are discussed. Linear, nonlinear systems and the Riemann problem for the Euler equations are also studied. The numerical methods for conservation laws are presented in a nonstandard manner which leads to large time steps generalizations and computations on irregular grids. The solution of conservation laws with stiff source terms is examined.

Leveque, Randall J.↗
NASA NTRS1985

Errors in reduction methods

A mathematical basis is given for comparing the relative merits of various techniques used to reduce the order of large linear and nonlinear dynamics problems during their numerical integration. In such techniques as Guyan-Irons, path derivatives, selected eigenvectors, Ritz vectors, etc., the nth order initial value problem of /y(dot) = f(y) for t greater than 0, y(0) given/ is typically reduced to the mth order (m is much less than n) problem of /z(dot) = g(z) for t greater than 0, z(0) given/ by the transformation y = Pz where P changes from technique to technique. This paper gives an explicit approximate expression for the reduction error e-i in terms of P and the Jacobian of f. It is shown that: (a) reduction techniques are more accurate when the time rate of change of the response y is relatively small; (b) the change in response between two successive stations contributes to the errors at future stations after the change in response is transformed by a filtering matrix H, defined in terms of P; (c) the error committed at a station propagates to future stations by a mixing and scaling matrix G, defined in terms of P, Jacobian and of f, and time increment h. The paper discusses the conditions under which the reduction errors may be minimized and gives guidelines for selecting the reduction basis vector, i.e., the columns of P.

Utku, S.↗
DOE OSTI2024

Evaluating the Importance of Conformers for Understanding the Vacuum-Ultraviolet Spectra of Oxiranes: Experiment and Theory

Vacuum-ultraviolet (VUV) absorption spectroscopy enables electronic transitions that offer the unambiguous identification of molecules. As target molecules become more complex, multifunctional species present a great challenge to both experimental and computational spectroscopy. This research reports both experimental and theoretical studies of oxiranes. Computationally, the nuclear ensemble approach has been used to accurately predict experimental spectra for a variety of molecules. However, this approach incurs great computational cost, as ensembles generally consist of thousands of geometries. The present study aims to drastically reduce the ensemble by evaluating the significance of the conformers to the predicted spectra. This approach was applied to 11 substituted oxiranes using the Conformer Rotamer Ensemble Sampling Tool (CREST) of Grimme to generate an ensemble of unique conformers determined by their Boltzmann populations. Five TD-DFT functionals (BMK, CAM-B3LYP, M06-2X, MN15, ωB97X-D) and EOM-CCSD were used to simulate the spectrum of each substituted oxirane ensemble. Computed spectra were then compared to the experiment using both qualitative and quantitative metrics. Based on these metrics, it was observed that certain conformers may not be necessary to characterize this set of oxiranes despite the temperature (323 K) of the experiment. A single conformer can then be used with TD-DFT and EOM-CCSD to replicate the experimental spectra of these medium-sized combustion species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1983

Experimental modal analysis

Experimental modal analysis is extremely important with regard to verification of analytical models, identification of vibration and acoustic problems, and structural modification and sensitivity analysis. With the expanding access of the testing environment to computational power, the complexity of existing approaches, as well as the development of new approaches, to the estimation of modal parameters has grown tremendously. Currently, the state of the art in experimental modal analysis involves methods that can be grouped in four categories: forced normal mode excitation method, frequency response function method, damped complex exponential function method, and mathematical input-output model methods. The theoretical basis of each of these general approaches, with appropriate references, is reviewed briefly.

Allemang, R. J.↗