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At least 541 records · Page 30

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NASA NTRS1981

Optical-model abrasion cross sections for high-energy heavy ions

Within the context of eikonal scattering theory, a generalized optical model potential approximation to the nucleus-nucleus multiple scattering series is used in an abrasion-ablation collision model to predict abrasion cross sections for relativistic projectile heavy ions. Unlike the optical limit of Glauber theory, which cannot be used for very light nuclei, the abrasion formalism is valid for any projectile target combination at any incident kinetic energy for which eikonal scattering theory can be utilized. Results are compared with experimental results and predictions from Glauber theory.

Townsend, L. W.↗

NASA NTRS1977

Analysis of the theory of high energy ion transport

Procedures for the approximation of the transport of high-energy ions are discussed on the basis of available data on ion nuclear reactions. A straightahead approximation appears appropriate for space applications. The assumption that the secondary-ion-fragment velocity is equal to that of the fragmenting nucleus is inferior to straightahead theory but is of sufficient accuracy if the primary ions display a broad energy spectrum. An iterative scheme for the solution of the inhomogenous integral transport equations holds promise for practical calculation. A model calculation shows that multiple charged ion fragments penetrate to greater depths in comparison with the free path of a primary heavy ion.

Wilson, J. W.↗

NASA NTRS1986

Higher order parabolic approximations of the reduced wave equation

Asymptotic solutions of order k to the nth are developed for the reduced wave equation. Here k is a dimensionless wave number and n is the arbitrary order of the approximation. These approximations are an extension of geometric acoustics theory, and provide corrections to that theory in the form of multiplicative functions which satisfy parabolic partial differential equations. These corrections account for the diffraction effects caused by variation of the field normal to the ray path and the interaction of these transverse variations with the variation of the field along the ray. The theory is applied to the example of radiation from a piston, and it is demonstrated that the higher order approximations are more accurate for decreasing values of k.

Mcaninch, G. L.↗

NASA NTRS1981

Transonic swept wings studied by the lifting-line theory

Transonic swept wings are analyzed as a lifting-line problem under a small-disturbance approximation. Basic concepts and principal results of the asymptotic theory are discussed. The study focuses on straight oblique wings and V-shaped swept wings, of which the local centerline curvature can be equated to zero. The three-dimensional (3-D) perturbation of the nonlinear component flow admits a similarity flow structure but requires that all wing sections are generated from a single airfoil profile; the reduced 2-D problems in this case are solved only once for all span stations. Examples of solutions involving high subcritical and slightly supercritical component flows are demonstrated and compared with surface pressure data from 3-D computer codes based on the full-potential equation (FLO 22). Except in the neighborhood of leading edges, where the small-disturbance assumption breaks down, and in the vicinities of wing tips and the symmetry plane, where neither the theory nor the 3-D codes may claim full validity, reasonable agreement is consistently found. The explicit results from the upwash analysis, along with the similarity flow structure, provides a rational approach to the control of 3-D effects in transonic aerodynamic design studies.

Cheng, H. K.↗

NASA NTRS1993

Time dependent turbulence modeling and analytical theories of turbulence

By simplifying the direct interaction approximation (DIA) for turbulent shear flow, time dependent formulas are derived for the Reynolds stresses which can be included in two equation models. The Green's function is treated phenomenologically, however, following Smith and Yakhot, we insist on the short and long time limits required by DIA. For small strain rates, perturbative evaluation of the correlation function yields a time dependent theory which includes normal stress effects in simple shear flows. From this standpoint, the phenomenological Launder-Reece-Rodi model is obtained by replacing the Green's function by its long time limit. Eddy damping corrections to short time behavior initiate too quickly in this model; in contrast, the present theory exhibits strong suppression of eddy damping at short times. A time dependent theory for large strain rates is proposed in which large scales are governed by rapid distortion theory while small scales are governed by Kolmogorov inertial range dynamics. At short times and large strain rates, the theory closely matches rapid distortion theory, but at long times it relaxes to an eddy damping model.

Rubinstein, R.↗

NASA NTRS1979

Theory of direct scattering of neutral and charged atoms

The theory for direct elastic and inelastic collisions between composite atomic systems formulated within the framework of the Glauber approximation is presented. It is shown that the phase-shift function is the sum of a point Coulomb contribution and of an expression in terms of the known electron-hydrogen-atom and proton-hydrogen-atom phase shift function. The scattering amplitude is reexpressed, the pure Coulomb scattering in the case of elastic collisions between ions is isolated, and the exact optical profile function is approximated by a first-order expansion in Glauber theory which takes into account some multiple collisions. The approximate optical profile function terms corresponding to interactions involving one and two electrons are obtained in forms of Meijer G functions and as a one-dimensional integral, and for collisions involving one or two neutral atoms, the scattering amplitude is further reduced to a simple closed-form expression.

Franco, V.↗

NASA NTRS1982

Ecological optimality in water-limited natural soil-vegetation systems. I - Theory and hypothesis

The solution space of an approximate statistical-dynamic model of the average annual water balance is explored with respect to the hydrologic parameters of both soil and vegetation. Within the accuracy of this model it is shown that water-limited natural vegetation systems are in stable equilibrium with their climatic and pedologic environments when the canopy density and species act to minimize average water demand stress. Theory shows a climatic limit to this equilibrium above which it is hypothesized that ecological pressure is toward maximization of biomass productivity. It is further hypothesized that natural soil-vegetation systems will develop gradually and synergistically, through vegetation-induced changes in soil structure, toward a set of hydraulic soil properties for which the minimum stress canopy density of a given species is maximum in a given climate. Using these hypotheses, only the soil effective porosity need be known to determine the optimum soil and vegetation parameters in a given climate.

Eagleson, P. S.↗

NASA NTRS1990

Spurious frequencies as a result of numerical boundary treatments

The stability theory for finite difference Initial Boundary-Value approximations to systems of hyperbolic partial differential equations states that the exclusion of eigenvalues and generalized eigenvalues is a sufficient condition for stability. The theory, however, does not discuss the nature of numerical approximations in the presence of such eigenvalues. In fact, as was shown previously, for the problem of vortex shedding by a 2-D cylinder in subsonic flow, stating boundary conditions in terms of the primitive (non-characteristic) variables may lead to such eigenvalues, causing perturbations that decay slowly in space and remain periodic time. Characteristic formulation of the boundary conditions avoided this problem. A more systematic study of the behavior of the (linearized) one-dimensional gas dynamic equations under various sets of oscillation-inducing legal boundary conditions is reported.

Abarbanel, Saul↗

NASA NTRS1963

A HIGH ORDER PERTURBATION THEORY USING RECTANGULAR COORDINATES

Runge-kutta integration to approximate a system of nonlinear equations by a series of linear equations

RUNGE-KUTTA INTEGRATION↗

DOE OSTI2024

Regioselective On-Surface Synthesis of [3]Triangulene Graphene Nanoribbons

The integration of low-energy states into bottom-up engineered graphene nanoribbons (GNRs) is a robust strategy for realizing materials with tailored electronic band structure for nanoelectronics. Low-energy zero-modes (ZMs) can be introduced into nanographenes (NGs) by creating an imbalance between the two sublattices of graphene. This phenomenon is exemplified by the family of [n]triangulenes (n ϵ $\mathbb{N}$). Here, we demonstrate the synthesis of [3]triangulene-GNRs, a regioregular one-dimensional (1D) chain of [3]triangulenes linked by five-membered rings. Hybridization between ZMs on adjacent [3]triangulenes leads to the emergence of a narrow band gap, E g,exp ~ 0.7 eV, and topological end states that are experimentally verified using scanning tunneling spectroscopy. Tight-binding and first-principles density functional theory calculations within the local density approximation corroborate our experimental observations. Our synthetic design takes advantage of a selective on-surface head-to-tail coupling of monomer building blocks enabling the regioselective synthesis of [3]triangulene-GNRs. Detailed ab initio theory provides insights into the mechanism of on-surface radical polymerization, revealing the pivotal role of Au-C bond formation/breakage in driving selectivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Quantum many-body linear algebra, Hamiltonian moments, and a coupled-cluster inspired framework

Here, we propose a general strategy to develop quantum many-body approximations of primitives in linear algebra algorithms. As a practical example, we introduce a coupled-cluster inspired framework to produce approximate Hamiltonian moments and demonstrate its application in various linear algebra algorithms for ground state estimation. Through numerical examples, we illustrate the difference between the ground-state energies arising from quantum many-body linear algebra and those from the analogous many-body perturbation theory. Our results support the general idea of designing quantum many-body approximations outside of perturbation theory, providing a route to new algorithms and approximations.

Algorithms and data structure↗

NASA NTRS1971

Study of different approximation in the calculation of g tensors - H2/+/

The theory of the g tensor in one-electron systems is briefly reviewed and calculations are performed in several ways for the hydrogen molecular ion in order to test approximations which must be made for larger systems. Approximate ground state wavefunctions are determined variationally. The first-order wavefunction with respect to the orbit-field perturbation is calculated, and the second-order g tensor is determined. The results of the various approximate calculations are compared and discussed. It is found that the linear combination of atomic orbitals method is rather poor and that two center integrals cannot be neglected.

De Montgolfier, P.↗

DOE OSTI2025

Power counting of the pion-dilaton effective field theory

Confining QCD-like theories close to the conformal window have a “walking” coupling. This is believed to lead to a light singlet scalar meson in the low-energy spectrum, a dilaton, which is the pseudo-Nambu-Goldstone boson for the approximate scale symmetry. Extending chiral perturbation theory to include the dilaton requires a new small parameter to control the dilaton mass and its interactions. In our previous work we derived a systematic power counting for the dilaton couplings by matching the effective low-energy theory to the underlying theory using mild assumptions. In this paper we examine two alternative power countings which were proposed in the literature based on a phenomenological picture for the conformal transition. We find that one of these power countings fails, in fact, to generate a systematic expansion; the other coincides with the power counting we derived. We also point out that the so-called Δ -potential coincides with the tree-level potential of the former, invalid, power counting. Published by the American Physical Society 2025

Golterman, Maarten (ORCID:0000000319830672)↗

DOE OSTI2025

Extended Gutzwiller Approximation for Nonlocal Electron-Electron and Electron-Boson Correlations (I): The Theory

Understanding electron-electron and electron-photon correlations is central to uncovering the fundamental mechanisms governing material properties, particularly in systems where strong interactions give rise to emergent phenomena such as superconductivity, magnetism, and polaritonic effects. These correlations play a pivotal role in cavity quantum materials, where hybridized light-matter states enable quantum control over electronic properties. However, capturing both local and nonlocal correlations in these systems presents a significant theoretical challenge. In this work, we extend the Gutzwiller wavefunction method to include nonlocal electron-photon and electron-electron interactions, providing a unified framework to study the intricate interplay between these effects. Our approach accurately captures the long-range correlations induced by photon exchange, enabling the exploration of exotic quantum phases and the effects of cavity coupling on electronic structure. By benchmarking the method across coupling regimes, we reveal the critical role of nonlocal correlations in stabilizing phases, such as superconducting and insulating states, that are inaccessible through local interactions alone. This generalized Gutzwiller framework offers a versatile tool for understanding and designing materials that harness the transformative potential of strong light-matter coupling.

36 MATERIALS SCIENCE↗

NASA NTRS1967

Second-order Green's-function theory of the Heisenberg ferromagnet.

Coupled Green function equations for Heisenberg ferromagnet approximated via differential equations

CORRELATION FUNCTION↗

NASA NTRS1977

Multimodal far-field acoustic radiation pattern: An approximate equation

Rice, E. J.↗

NASA NTRS1977

Multimodal far-field acoustic radiation pattern - An approximate equation

The far-field sound radiation theory for a circular duct was studied for both single mode and multimodal inputs. The investigation was intended to develop a method to determine the acoustic power produced by turbofans as a function of mode cut-off ratio. This information is essential for the design of acoustic suppressors in engine ducts. With reasonable simplifying assumptions the single mode radiation pattern was shown to be reducible to a function of mode cut-off ratio only (modal indices removed). With modal cut-off ratio as the dominant variable, multimodal radiation patterns can be reduced to a simple explicit expression. This approximate expression provides excellent agreement with an exact calculation of the sound radiation pattern using equal acoustic power per mode. Radiation patterns for cases other than equal modal power are presented using the approximate radiation equation. An approximate expression for the duct termination losses as a function of cut-off ratio is also included.

Rice, E. J.↗

NASA NTRS2006

Space-Time Error Representation and Estimation in Navier-Stokes Calculations

The mathematical framework for a-posteriori error estimation of functionals elucidated by Eriksson et al. [7] and Becker and Rannacher [3] is revisited in a space-time context. Using these theories, a hierarchy of exact and approximate error representation formulas are presented for use in error estimation and mesh adaptivity. Numerical space-time results for simple model problems as well as compressible Navier-Stokes flow at Re = 300 over a 2D circular cylinder are then presented to demonstrate elements of the error representation theory for time-dependent problems.

Barth, Timothy J.↗