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At least 109 records · Page 6

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NASA NTRS2011

First Stage Solid Propellant Multi Debris Thermal Analysis

The crew launch vehicle considered for the Constellation (Cx) Program utilizes a first stage solid rocket motor. If an abort is initiated in first stage flight the Crew Module (CM) will separate and be pulled away from the launch vehicle via a Launch Abort System (LAS) in order to safely and quickly carry the crew away from the malfunction launch vehicle. Having aborted the mission, the launch vehicle will likely be destroyed via a Flight Termination System (FTS) in order to prevent it from errantly traversing back over land and posing a risk to the public. The resulting launch vehicle debris field, composed primarily of first stage solid propellant, poses a threat to the CM. The harsh radiative thermal environment induced by surrounding burning propellant debris may lead to CM parachute failure. A methodology, detailed herein, has been developed to address this concern and quantify the risk of first stage propellant debris leading to radiative thermal demise of the CM parachutes. Utilizing basic thermal radiation principles, a software program was developed to calculate parachute temperature as a function of time for a given abort trajectory and debris piece trajectory set. Two test cases, considered worst-case aborts with regard to launch vehicle debris environments, were analyzed using the simulation: an abort declared at Mach 1 and an abort declared at maximum dynamic pressure (Max Q). For both cases, the resulting temperature profiles indicated that thermal limits for the parachutes were not exceeded. However, short duration close encounters by single debris pieces did have a significant effect on parachute temperature, with magnitudes on the order of 10 s of degrees Fahrenheit. Therefore while these two test cases did not indicate exceedance of thermal limits, in order to quantify the risk of parachute failure due to radiative effects from the abort environment, a more thorough probability-based analysis using the methodology demonstrated herein must be performed.

Toleman, Benjamin M.↗

NASA NTRS2011

First Stage Solid Propellant Multiply Debris Thermal Analysis

Destruction of a solid rocket stage of a launch vehicle can create a thermal radiation hazard for an aborting crew module. This hazard was assessed for the Constellation Program (Cx) crew and launch vehicle concept. For this concept, if an abort was initiated in first stage flight, the Crew Module (CM) will separate and be pulled away from the malfunctioning launch vehicle via a Launch Abort System (LAS). Having aborted the mission, the launch vehicle will likely be destroyed via a Flight Termination System (FTS) in order to prevent it from errantly traversing back over land and posing a risk to the public. The resulting launch vehicle debris field, composed primarily of first stage solid propellant, poses a threat to the CM. The harsh radiative thermal environment, caused by surrounding burning propellant debris, may lead to CM parachute failure. A methodology, detailed herein, has been developed to address this concern and to quantify the risk of first stage propellant debris leading to the thermal demise of the CM parachutes. Utilizing basic thermal radiation principles, a software program was developed to calculate parachute temperature as a function of time for a given abort trajectory and debris piece trajectory set. Two test cases, considered worst case aborts with regard to launch vehicle debris environments, were analyzed using the simulation: an abort declared at Mach 1 and an abort declared at maximum dynamic pressure (Max Q). For both cases, the resulting temperature profiles indicated that thermal limits for the parachutes were not exceeded. However, short duration close encounters by single debris pieces did have a significant effect on parachute temperature. Therefore while these two test cases did not indicate exceedance of thermal limits, in order to quantify the risk of parachute failure due to radiative effects from the abort environment, a more thorough probability-based analysis using the methodology demonstrated herein must be performed.

Toleman, Benjamin M.↗

NASA NTRS2018

Far-Field Lorenz-Mie Scattering in an Absorbing Host Medium: Theoretical Formalism and FORTRAN Program

In this paper we make practical use of the recently developed first-principles approach to electromagnetic scattering by particles immersed in an unbounded absorbing host medium. Specifically, we introduce an actual computational tool for the calculation of pertinent far-field optical observables in the context of the classical Lorenzâ€"Mie theory. The paper summarizes the relevant theoretical formalism, explains various aspects of the corresponding numerical algorithm, specifies the input and output parameters of a FORTRAN program available at https://www.giss.nasa.gov/staff/mmishchenko/Lorenz-Mie.html, and tabulates benchmark results useful for testing purposes. This public-domain FORTRAN program enables one to solve the following two important problems: (i) simulate theoretically the reading of a remote well-collimated radiometer measuring electromagnetic scattering by an individual spherical particle or a small random group of spherical particles; and (ii) compute the single-scattering parameters that enter the vector radiative transfer equation derived directly from the Maxwell equations.

Far-field electromagnetic scattering; Absorbing ho↗

NASA NTRS1991

A theoretical analysis of the electromagnetic environment of the AS330 super Puma helicopter external and internal coupling

Numerical techniques such as Finite Difference Time Domain (FDTD) computer programs, which were first developed to analyze the external electromagnetic environment of an aircraft during a wave illumination, a lightning event, or any kind of current injection, are now very powerful investigative tools. The program called GORFF-VE, was extended to compute the inner electromagnetic fields that are generated by the penetration of the outer fields through large apertures made in the all metallic body. Then, the internal fields can drive the electrical response of a cable network. The coupling between the inside and the outside of the helicopter is implemented using Huygen's principle. Moreover, the spectacular increase of computer resources, as calculations speed and memory capacity, allows the modellization structures as complex as these of helicopters with accuracy. This numerical model was exploited, first, to analyze the electromagnetic environment of an in-flight helicopter for several injection configurations, and second, to design a coaxial return path to simulate the lightning aircraft interaction with a strong current injection. The E field and current mappings are the result of these calculations.

Flourens, F.↗

NASA NTRS1981

The stability of solar coronal loops with realistic photospheric boundary conditions

Finite-length effects are the primary influence for the MHD stability of coronal loops. This paper gives a new physical description of the photospheric boundary conditions, and the first complete and uniformly convergent initial-perturbation set. A general energy-principle (or variational) stability analysis is then developed. The results of this calculation show that large classes of cylindrical-symmetry perturbations, those with separable contributions to the energy integral, are completely stable. Comparisons are also made with other more restrictive formulations of this problem.

Van Hoven, G.↗

NASA NTRS1981

Quantum chemical calculation of the equilibrium structures of small metal atom clusters

A decomposition of the molecular energy is presented that is motivated by the atom superposition and electron delocalization physical model of chemical binding. The energy appears in physically transparent form consisting of a classical electrostatic interaction, a zero order two electron exchange interaction, a relaxation energy, and the atomic energies. Detailed formulae are derived in zero and first order of approximation. The formulation extends beyond first order to any chosen level of approximation leading, in principle, to the exact energy. The structure of this energy decomposition lends itself to the fullest utilization of the solutions to the atomic sub problems to simplify the calculation of the molecular energy. If nonlinear relaxation effects remain minor, the molecular energy calculation requires at most the calculation of two center, two electron integrals. This scheme thus affords the prospects of substantially reducing the computational effort required for the calculation of molecular energies.

Kahn, L. R.↗

NASA NTRS1985

Source phase shift - A new phenomenon in wave propagation due to anelasticity

The free oscillations of an anelastic earth model due to earthquakes were calculated directly by means of the correspondence principle from wave propagation theory. The formulation made it possible to find the source phase which is not predictable using first order perturbation theory. The predicted source phase was largest for toroidal modes with source components proportional to the radial strain scalar instead of the radial displacement scalar. The source phase increased in relation to the overtone number. In addition, large relative differences were found in the excitation modulus and the phase when the elastic excitation was small. The effect was sufficient to bias estimates of source properties and elastic structure.

Buland, R.↗

NASA NTRS1985

Passive microwave remote sensing of an anisotropic random-medium layer

The principle of reciprocity is invoked to calculate the brightness temperatures for passive microwave remote sensing of a two-layer anisotropic random medium. The bistatic scattering coefficients are first computed with the Born approximation and then integrated over the upper hemisphere to be subtracted from unity, in order to obtain the emissivity for the random-medium layer. The theoretical results are illustrated by plotting the emissivities as functions of viewing angles and polarizations. They are used to interpret remote sgnsing data obtained from vegetation canopy where the anisotropic random-medium model applies. Field measurements with corn stalks arranged in various configurations with preferred azimuthal directions are successfully interpreted with this model.

Lee, J. K.↗

NASA NTRS1991

Equivalent crystal theory of alloys

Equivalent Crystal Theory (ECT) is a new, semi-empirical approach to calculating the energetics of a solid with defects. The theory has successfully reproduced surface energies in metals and semiconductors. The theory of binary alloys to date, both with first-principles and semi-empirical models, has not been very successful in predicting the energetics of alloys. This procedure is used to predict the heats of formation, cohesive energy, and lattice parameter of binary alloys of Cu, Ni, Al, Ag, Au, Pd, and Pt as functions of composition. The procedure accurately reproduces the heats of formation versus composition curves for a variety of binary alloys. The results are then compared with other approaches such as the embedded atom and lattice parameters of alloys from pure metal properties more accurately than Vegard's law is presented.

Bozzolo, Guillermo↗

NASA NTRS2003

The Langley Stability and Transition Analysis Code (LASTRAC) : LST, Linear and Nonlinear PSE for 2-D, Axisymmetric, and Infinite Swept Wing Boundary Layers

During the past two decades, our understanding of laminar-turbulent transition flow physics has advanced significantly owing to, in a large part, the NASA program support such as the National Aerospace Plane (NASP), High-speed Civil Transport (HSCT), and Advanced Subsonic Technology (AST). Experimental, theoretical, as well as computational efforts on various issues such as receptivity and linear and nonlinear evolution of instability waves take part in broadening our knowledge base for this intricate flow phenomenon. Despite all these advances, transition prediction remains a nontrivial task for engineers due to the lack of a widely available, robust, and efficient prediction tool. The design and development of the LASTRAC code is aimed at providing one such engineering tool that is easy to use and yet capable of dealing with a broad range of transition related issues. LASTRAC was written from scratch based on the state-of-the-art numerical methods for stability analysis and modem software technologies. At low fidelity, it allows users to perform linear stability analysis and N-factor transition correlation for a broad range of flow regimes and configurations by using either the linear stability theory (LST) or linear parabolized stability equations (LPSE) method. At high fidelity, users may use nonlinear PSE to track finite-amplitude disturbances until the skin friction rise. Coupled with the built-in receptivity model that is currently under development, the nonlinear PSE method offers a synergistic approach to predict transition onset for a given disturbance environment based on first principles. This paper describes the governing equations, numerical methods, code development, and case studies for the current release of LASTRAC. Practical applications of LASTRAC are demonstrated for linear stability calculations, N-factor transition correlation, non-linear breakdown simulations, and controls of stationary crossflow instability in supersonic swept wing boundary layers.

Chang, Chau-Lyan↗

NASA NTRS2026

Diffusion Quantum Monte Carlo Calculation of the Austenite and Martensite Phases of NiTi

NiTi is a promising material for smart and active technologies due to its exhibition of the shape memory effect, superelasticity, and biocompatibility. The shape memory effect is tied to the reversible transition between the austenite and martensite phases. A major research direction is to alloy NiTi with Zr, Hf, Pd, Pt, etc., in order to tune the martensitic transition temperature (MTT). Modeling the MTT from first principles is challenging because the lattice dynamics is complicated by anharmonicity and various low-energy structures. Using density functional theory, the energy difference between the austenite and martensite phases of NiTi varies by up to 100 meV/atom depending on the choice of density functional, which is of the same order of the energy difference itself. Consequently, free energy calculations with different functionals can result in estimates of the MTT that vary by several hundred K. Using diffusion quantum Monte Carlo, we calculated the energy difference between the B2 and B19' structures of NiTi to be 70.9 +- 2.5 meV/atom.

Kevin K Ly↗

NASA NTRSDate not supplied

Ab initio ground states of strongly-correlated materials on quantum computers

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving accurate many-body Hamiltonians including strong correlations, representing a subspace of interest of a material, using density functional theory calculations as a starting point. However, the solution of these material-specific models can scale exponentially on classical computers, constituting a challenge. Here we propose that utilizing quantum computers for obtaining the properties of downfolded Hamiltonians yields an accurate description of the ground state properties of strongly-correlated systems, while circumventing the exponential scaling problem. We benchmark the solution of Hubbard-like models obtained through downfolding by utilizing a classical tensor network implementation of variational quantum eigensolvers (VQE), and we reveal a strategy for driving the optimization through a hybrid minimization of the energy and maximization of the overlap with an approximate solution obtained through low-cost computational methods. This results in a reduction of the energy error by orders of magnitude compared to conventional VQE approaches, and allows us to reproduce long-range correlations for the first time. We demonstrate our first-principles approach for diverse strongly-correlated materials, correctly predicting the antiferromagnetic state of one-dimensional cuprate Ca 2 CuO 3 , the excitonic ground state of monolayer WTe2, and the charge-ordered state of correlated metal SrVO 3 . Our efficient computational implementation allows us to simulate large systems with up to 54 qubits and encompassing up to four correlated bands, which is indicative of the complexity that our framework can address.

Antonios M Alvertis↗

NASA NTRS1986

First- and second-order sensitivity analysis of linear and nonlinear structures

This paper employs the principle of virtual work to derive sensitivity derivatives of structural response with respect to stiffness parameters using both direct and adjoint approaches. The computations required are based on additional load conditions characterized by imposed initial strains, body forces, or surface tractions. As such, they are equally applicable to numerical or analytical solution techniques. The relative efficiency of various approaches for calculating first and second derivatives is assessed. It is shown that for the evaluation of second derivatives the most efficient approach is one that makes use of both the first-order sensitivities and adjoint vectors. Two example problems are used for demonstrating the various approaches.

Haftka, R. T.↗

NASA NTRS1988

Investigations on the usefulness of the Massively Parallel Processor for study of electronic properties of atomic and condensed matter systems

The usefulness of the Massively Parallel Processor (MPP) for investigation of electronic structures and hyperfine properties of atomic and condensed matter systems was explored. The major effort was directed towards the preparation of algorithms for parallelization of the computational procedure being used on serial computers for electronic structure calculations in condensed matter systems. Detailed descriptions of investigations and results are reported, including MPP adaptation of self-consistent charge extended Hueckel (SCCEH) procedure, MPP adaptation of the first-principles Hartree-Fock cluster procedure for electronic structures of large molecules and solid state systems, and MPP adaptation of the many-body procedure for atomic systems.

Das, T. P.↗

NASA NTRSDate not supplied

Downfolding Complex Materials Problems Onto Model Hamiltonians for Quantum Computers

Simulating the properties of quantum materials is expected to be one of the exciting applications for quantum computers and where we hope to see advantages over classical hardware. The complexity of ab initio Hamiltonians describing the physics of application-relevant materials places them beyond the realm of possibility for solution on near-term hardware with a limited number of qubits. Various Hamiltonian approximations, including Hamiltonian downfolding, offers a possibility towards simulating complex materials on near-term hardware. This is accomplished by approximating the relevant physics of a given material through their representation by simpler model Hamiltonians, such as the Hubbard Hamiltonian or extensions of it. Here we employ a well-defined first-principles methodology for deriving downfolded multi-band extended Hubbard Hamiltonians of materials, capturing strong electronic correlation and electron-phonon coupling, based on the formalism of Wannier functions and the calculation of the screened Coulomb interaction. We demonstrate for a variety of systems that quantum simulation of these downfolded Hamiltonians reproduces key properties, thus establishing downfolding as a promising route to achieve near-term simulation of application-relevant systems on quantum hardware.

Antonios Markos Alvertis↗

NASA NTRSDate not supplied

Downfolding complex materials problems onto model Hamiltonians for quantum computers

Antonios M. Alvertis↗

NASA NTRS1984

Random vortex method for combusting flows

The random vortex method (RVM) of Chorin was developed by the recirculating flows. The RVM method models turbulence from first principles, tracking the vorticity and obtaining the interaction of vorticity with the bulk flow field. A computer program was produced called MIMOC, Modeling the Interface Motion of Combustion, which can be used to calculate the reacting flow field behind a rearward facing step. Several comparisons between experimental data and calculations were made. The RVM methood computes qualitatively good results, but the quantitative agreement as yet is not completely satisfactory. Much of the difficulty may be caused by the treatment of boundary conditions and the techniques used for obtaining statistical averages of velocities and turbulence quantities. For the rearward facing step the computed reattachment length equals the experimental value. However, the reverse velocity in the recirculation zone is over predicted by 300 percent. In the calculations, a uniform entrance velocity was assumed with no boundary layer at the step lip. This high velocity may be overdriving the reverse flow region.

Marek, C. J.↗

NASA NTRS2010

L Band Brightness Temperature from Forest: Comparison of Approximate Techniques

In this paper, three approximate physical microwave radiometry models have been used to calculate brightness temperatures from a forest canopy at L-band. These models are (1) tau-omega model (zero order scattering approximation to radiative transfer equations), (2) successive order of scattering model up to first order (first order scattering approximation to the radiative transfer equations), and (3) Peak technique utilizing the active solution obtained from the Distorted Born Approximation (DBA). These models are physically-based and treat vegetation as a layer of discrete scatterers over a rough surface. Vegetation components within the canopy are represented by canonical shapes such as dielectric discs and cylinders. The tau-omega model is based on a zero-order solution to the radiative transfer (RT) equations. The model ignores scattering except for the effect of the scatterers in the attenuation of the emission through the vegetation. Application of the tau-omega model to data acquired during airborne and ground-based campaigns over the years has solidified scientific understanding of microwave interactions with different landscapes. In particular, shrubland, grasslands, agricultural crops, and light to moderate vegetation have been investigated. Its applicability to areas with a significant tree fraction is unknown. The first order scattering model is based on an iterative solution of the RT equation up to the first order. The first order solution is obtained by substituting the zeroth-order solution into the scattering source term and then solving the resulting radiative transfer equations. This formulation adds a new scattering term to the tau-omega model. It represents emission by particles in the layer and emission by the ground that is scattered once by particles in the layer. The resulting model represents an improvement over the standard zero-order solution (the tau-omega model) since it accounts for the scattered vegetation and ground radiation that can have a pronounced effect on the observed brightness temperature. The third model is based on the Peake formulation in conjunction with the DBA. The procedure for calculation of forest emission is accomplished by first calculating the bistatic scattering cross section for each type of scatterer, then by using the DBA to calculate specular albedo of the ground and the diffused albedo of the layer. Once the albedos are determined, Peake s principle relating active and passive problems can be used to determine the effective emissivity of the forest layer.

Kurum, Mehmet↗