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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Prediction of L⁢i 3 ⁢F⁡e 8 ⁢B 8 compound with rapid one-dimensional ion diffusion channels

Using a computational crystal structure search in the Li-Fe-B ternary system, we predict a stable phase of L⁢i 3 ⁢F⁡e 8 ⁢B 8 , featuring 1D channels that enable rapid Li-ion transport. Ab initio molecular dynamics simulations show that the Li-ion diffusion coefficient in L⁢i 3 ⁢F⁡e 8⁢ B 8 surpasses that of common electrode and conductive additive materials by several orders of magnitude. The high diffusion in L⁢i 3 ⁢F⁡e 8 ⁢B 8 can be explained by the Frenkel–Kontorova model, which describes an incommensurate state between the Li diffusion chain and the periodic potential field caused by the FeB backbone structure. The favorable lithium-ion diffusivity and mechanical properties of L⁢i 3 ⁢F⁡e 8 ⁢B 8 make it a promising conductive additive for battery materials. Furthermore, an external magnetic field can further manipulate the properties of this material due to its predicted itinerant ferromagnetism, which also offers a platform for exploring spin-dependent phenomena.

1-dimensional systems↗
DOE OSTI2025

Ground-state-based model reduction with unitary circuits

Here, we present a method to numerically obtain low-energy effective models based on a unitary transformation of the ground state. The algorithm finds a unitary circuit that transforms the ground state of the original model to a projected wavefunction with only the low-energy degrees of freedom. The effective model can then be derived using the unitary transformation encoded in the circuit. We test our method on the one-dimensional and two-dimensional square-lattice Hubbard model at half-filling, and obtain more accurate effective spin models than the standard perturbative approach.

Hubbard model↗
DOE OSTI2026

Intertwined charge, spin, and orbital degrees of freedom under electronic correlations in the one-dimensional Fe 3+ chalcogenide chain

Motivated by recent developments in the study of quasi-one-dimensional iron systems with Fe 2+ , we comprehensively study an Fe 3+ chalcogenide chain system. Based on first-principles calculations, the Fe 3+ chain has a similar electronic structure to that discussed before for the Fe 2+ chain, because of the similar Fe⁢𝑋 4 (𝑋 = S or Se) tetrahedron-chain geometry. Furthermore, a three-orbital electronic Hubbard model for this chain was constructed using the density matrix renormalization group method. A robust antiferromagnetic coupling was unveiled in the chain direction. In addition, in the intermediate electronic correlation 𝑈/𝑊 region, we found an interesting orbital-selective Mott phase with the coexistence of localized and itinerant electrons (𝑈 is the on-site Hubbard repulsion, while 𝑊 is the electronic bandwidth) based on the orbital-selective behavior observed in the charge fluctuations. Furthermore, we do not observe any obvious pairing tendency in the Fe 3+ chain in the electronic-correlation 𝑈/𝑊 region, where superconducting pairing tendencies were reported before in iron ladders. This suggests that superconductivity is unlikely to emerge in the Fe 3+ systems. Finally, our results clearly establish the similarities and differences between Fe 2+ and Fe 3+ iron chains, as well as iron ladders.

density matrix renormalization group↗
NASA NTRS1972

Application of transport techniques to the analysis of NERVA shadow shields

A radiation shield internal to the NERVA nuclear rocket reactor required to limit the neutron and photon radiation levels at critical components located external to the reactor was evaluated. Two significantly different shield mockups were analyzed: BATH, a composite mixture of boron carbide, aluminum and titanium hydride, and a borated steel-liquid hydrogen system. Based on the comparisons between experimental and calculated neutron and photon radiation levels, the following conclusions were noted: (1) The ability of two-dimensional discrete ordinates code to predict the radiation levels internal to and at the surface of the shield mockups was clearly demonstrated. (2) Internal to the BATH shield mockups, the one-dimensional technique predicted the axial variation of neutron fluxes and photon dose rates; however, the magnitude of the neutron fluxes was about a factor of 1.8 lower than the two-dimensional analysis and the photon dose rate was a factor of 1.3 lower.

Capo, M. A.↗
NASA NTRS1973

Interior radiances in optically deep absorbing media. 1: Exact solutions for one-dimensional model

The exact solutions are obtained for a one dimensional model of a scattering and absorbing medium. The results are given for both the reflected and transmitted radiance for any arbitrary surface albedo as well as for the interior radiance. These same quantities are calculated by the matrix operator method. The relative error of the solutions is obtained by comparison with the exact solutions as well as by an error analysis of the equations. The importance of an accurate starting value for the reflection and transmission operators is shown. A fourth order Runge-Kutta method can be used to solve the differential equations satisfied by these operators in order to obtain such accurate starting values.

Kattawar, G. W.↗
NASA NTRS1974

An improved exceedance theory for combined random stresses

An extension is presented of Rice's classic solution for the exceedances of a constant level by a single random process to its counterpart for an n-dimensional vector process. An interaction boundary, analogous to the constant level considered by Rice for the one-dimensional case, is assumed in the form of a hypersurface. The theory for the numbers of boundary exceedances is developed by using a joint statistical approach which fully accounts for all cross-correlation effects. An exact expression is derived for the n-dimensional exceedance density function, which is valid for an arbitrary interaction boundary. For application to biaxial states of combined random stress, the general theory is reduced to the two-dimensional case. An elliptical stress interaction boundary is assumed and the exact expression for the density function is presented. The equations are expressed in a format which facilitates calculating the exceedances by numerically evaluating a line integral. The behavior of the density function for the two-dimensional case is briefly discussed.

Lester, H. C.↗
NASA NTRS1975

A cubic spline approximation for problems in fluid mechanics

A cubic spline approximation is presented which is suited for many fluid-mechanics problems. This procedure provides a high degree of accuracy, even with a nonuniform mesh, and leads to an accurate treatment of derivative boundary conditions. The truncation errors and stability limitations of several implicit and explicit integration schemes are presented. For two-dimensional flows, a spline-alternating-direction-implicit method is evaluated. The spline procedure is assessed, and results are presented for the one-dimensional nonlinear Burgers' equation, as well as the two-dimensional diffusion equation and the vorticity-stream function system describing the viscous flow in a driven cavity. Comparisons are made with analytic solutions for the first two problems and with finite-difference calculations for the cavity flow.

Rubin, S. G.↗
NASA NTRS1975

Viscous flow solutions with a cubic spline approximation

A cubic spline approximation is used for the solution of several problems in fluid mechanics. This procedure provides a high degree of accuracy even with a nonuniform mesh, and leads to a more accurate treatment of derivative boundary conditions. The truncation errors and stability limitations of several typical integration schemes are presented. For two-dimensional flows a spline-alternating-direction-implicit (SADI) method is evaluated. The spline procedure is assessed and results are presented for the one-dimensional nonlinear Burgers' equation, as well as the two-dimensional diffusion equation and the vorticity-stream function system describing the viscous flow in a driven cavity. Comparisons are made with analytic solutions for the first two problems and with finite-difference calculations for the cavity flow.

Rubin, S. G.↗
NASA NTRS1975

The role of multiple scattering in one-dimensional radiative transfer

The usual methods of solving the radiative transfer equation yield answers which embrace all orders of scattering and thus shed little light on the underlying physical process. The present analysis examines the contributions of the various orders of scattering to the one dimensional transfer of radiation. In the one dimensional case an exact analytical solution exists and the problem reduces to that of expanding these exact solutions in powers of the albedo for single scattering. Formulas are given which permit the calculation of any order of scattering in an atmosphere of arbitrary optical thickness, particle albedo, and asymmetry parameter. The results should aid in identifying those physical situations where only the lowest orders of scattering play a significant role and where appropriate approximate methods might provide results of acceptable accuracy.

Adamson, D.↗
NASA NTRS1974

Computation of steady axisymmetric flow using a one-dimensional time-dependent method

An iterative numerical method for computing steady, three dimensional, viscous, compressible flow fields, about aerodynamic bodies was studied. In order to develop the iterative method economically, the primary emphasis was directed towards supersonic, axisymmetric flow. However, the technique readily extends to three spatial dimensions. The viscous flow field about a cone-cylinder-flare body was calculated and compared to existing experimental data. Numerical predictions of the cone boundary layer and the flow field shock wave structure agreed with corresponding measurements. A separation was calculated at the cylinder-flare junction in six iterations; however, the size of the vortex did not correspond to the measured size. It was estimated that fifty iterations would be required to properly define the vortex. It was concluded that the iteration technique is of limited value for plane two dimensional and axisymmetrix flows, but of great value for three-dimensional flows.

Walitt, L.↗
NASA NTRS1976

One-dimensional numerical analysis of the transient thermal response of multilayer insulative systems

A one-dimensional numerical analysis of the transient thermal response of multilayer insulative systems has been developed. The analysis can determine the temperature distribution through a system consisting of from one to four layers, one of which can be an air gap. Concentrated heat sinks at any interface can be included. The computer program based on the analysis will determine the thickness of a specified layer that will satisfy a temperature limit criterion at any point in the insulative system. The program will also automatically calculate the thickness at several points on a vehicle and determine total system mass.

Pittman, C. M.↗
NASA NTRS1975

Diurnal variations in the thermosphere. I - Theoretical formulation

A nonlinear perturbation theory is formulated for the solution of the multicomponent equations of energy, mass, and momentum conservation in the atmosphere. The theory is three-dimensional and includes the effects of heat conduction and advection, viscosity, ion drag, and diffusion. The theory is described as a superposition of mathematical modes obtained by expanding the physical quantities into vector and spherical harmonics. The coupling between the various modes, both linear and nonlinear, is included. The theory provides a basis for the treatment of the thermosphere and its interaction with the lower atmosphere, where 'mode coupling' is most important. As an example, a comparison is presented between one-dimensional and three-dimensional calculations of the fundamental mode of the diurnal component in the thermosphere. Coupling between the lowest modes is considered to describe the physical conditions of the lower thermosphere where inertia and Coriolis forces become dominant over the ion-drag and viscous forces. In this region, the latitude structures of the temperature, wind field, and diffusively controlled oxygen are shown to change significantly.

Harris, I.↗
NASA NTRS1976

On the nature of the anti-tail of Comet Kohoutek /1973f/. II - Comparison of the working model with ground-based photographic observations

On the basis of photographic observations made at the Cerro Tololo Inter-American Observatory, the radial and transverse brightness profiles and time variations in the surface brightness of the anti-tail of Comet Kohoutek were examined. In the process of photometric reduction one-dimensional radial tracings passing through the comet's nucleus and covering the entire anti-tail were used in the place of the standard two-dimensional scans. Each radial scan was defined by the position angle, and 'noise' variations were interpolated from the known field brightness outside the anti-tail. An analysis of the results provides quantitative support for a previously proposed model (Sekanina, 1974) suggesting that the dust particles in the anti-tail suffered a significant loss in radius due to evaporation near the perihelion passage. Preliminary calculations indicate that only particles initially larger than 100-150 micrometers in diameter survived. The emission rate of dust may be comparable to those derived for Comets Arend-Roland (1957 III) and Bennett (1970 II).

Sekanina, Z.↗
NASA NTRS1976

Stability of laser heated flows

A local stability analysis is utilized to determine the stability of disturbances generated at each point along a nozzle of variable area ratio for a one-dimensional flow heated by laser radiation entering from the upstream direction. The governing equations for the quasi-one-dimensional flow without viscous dissipation, diffusion, and thermal conduction but including radiative heat transfer are given. The governing equations are combined to yield a relationship which governs the Mach number variation through the nozzle. The complete steady-state solution can be calculated from knowledge of the Mach number profile, the inlet conditions, and the laser power. The local stability analysis permits obtaining contour (or contours) of neutral stability. Solutions have been obtained for various nozzle configurations, but only one set of example calculations is presented. The results obtained indicate that the analysis serves as an important indicator as to where potential absorption wave phenomena may be initiated.

Wu, P. K. S.↗
NASA NTRS1977

Variations in eddy diffusion and associated transport processes

Variation in the eddy diffusion coefficient constitutes a momentum source. This variation near the turbopause affects both the composition and the wind and temperature fields of the thermosphere. Two types of calculations are carried out, for horizontal winds considered self-consistently in a three-dimensional dynamic model and horizontal winds artificially suppressed to simulate a one-dimensional model. Momentum transfer associated with variations in eddy diffusion coefficients represents the source function in the analysis presented. It is shown that for long-term variations in the thermosphere, the compositional dependence on variations in eddy diffusion coefficients can be entirely different in one and three dimensional models with horizontal winds included. Horizontal winds can greatly reduce the effects of eddy diffusion in general and the ratio between He and O amplitudes in particular.

Mayr, H. G.↗
NASA NTRS1947

On the one-dimensional theory of steady compressible fluid flow in ducts with friction and heat addition

Steady, diabatic (nonadiabatic), frictional, variable-area flow of a compressible fluid is treated in differential form on the basis of the one-dimensional approximation. The basic equations are first stated in terms of pressure, temperature, density, and velocity of the fluid. Considerable simplification and unification of the equations are then achieved by choosing the square of the local Mach number as one of the variables to describe the flow. The transformed system of equations thus obtained is first examined with regard to the existence of a solution. It is shown that, in general, a solution exists whose calculation requires knowledge only of the variation with position of any three of the dependent variables of the system. The direction of change of the flow variables can be obtained directly from the transformed equations without integration. As examples of this application of the equations, the direction of change of the flow variables is determined for two special flows. In the particular case when the local Mach number m = 1, a special condition must be satisfied by the flow if a solution is to exist. This condition restricts the joint rate of variation of heating, friction, and area at m = 1. Further analysis indicates that when a solution exists at this point it is not necessarily unique. Finally it is shown that the physical phenomenon of choking, which is known to occur in certain simple flow situations, is related to restrictions imposed on the variables by the form of the transformed equations. The phenomenon of choking is thus given a more general significance in that the transformed equations apply to a more general type of flow than has hitherto been treated. (author)

HIGH-SPEED↗
NASA NTRS1973

Normal and Tangential Momentum Accommodation for Earth Satellite Conditions

Momentum accommodation was determined experimentally for gas-surface interactions simulating in a practical way those of near-earth satellites. Throughout the ranges of gas energies and incidence angles of interest for earth-conditions, two components of force were measured by means of a vacuum microbalance to determine the normal and tangential momentum-accommodation coefficients for nitrogen ions on technical-quality aluminum surfaces. For these experimental conditions, the electrodynamics of ion neutralization near the surface indicate that results for nitrogen ions should differ relatively little from those for nitrogen molecules, which comprise the largest component of momentum flux for near-earth satellites. The experimental results indicated that both normal and tangential momentum-accommodation coefficients varied widely with energy, tending to be relatively well accommodated at the higher energies, but becoming progressively less accommodated as the energy was reduced to and below that for earth-satellite speeds. Both coefficients also varied greatly with incidence angle, the normal momentum becoming less accommodated as the incidence angle became more glancing, whereas the tangential momentum generally became more fully accommodated. For each momentum coefficient, an empirical correlation function was obtained which closely approximated the experimental results over the ranges of energy and incidence angle. Most of the observed variations of momentum accommodation with energy and incidence angle were qualitatively indicated by a calculation using a three-dimensional model that simulated the target surface by a one-dimensional attractive potential and hard sphere reflectors.

Knechtel, Earl D.↗