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At least 577 records · Page 32

Variational Monte Carlo calculations of n + H 3 scattering

A paramount goal in nuclear physics is to unify ab initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound-state calculations in light systems but have seen minimal implementation in unbound systems. Here, we introduce a numerical method to improve the efficiency and accuracy of unbound-state calculations in QMC. As an initial application, we compute scattering observables for the smallest system available to probe three-body forces, the neutron-triton system, using variational Monte Carlo (VMC) wave functions. The method involves inferring long-range amplitudes in the wave function from integrals over the short-range region where all the particles interact. This approach using integral relations is well established in the literature; here, we develop it for the QMC framework. We validate our approach with a consistency check between short-range spectroscopic overlap functions computed from direct evaluation and from the integral relations; scattering amplitudes are long-range asymptotics of those overlaps. Comparison against published benchmark calculations using the same potential demonstrates that when applied to the current VMC wave functions, the integral method produces more accurate scattering observables than direct evaluation from the same variational wave function. However, it still differs noticeably from the exact results. Using additional interactions, we then present phase shifts and mixing parameters for the n + 3 H system. In particular, we present one of the first applications of the Norfolk family of local coordinate-space chiral potentials in unbound systems of A > 2. The Norfolk results accurately describe s-wave scattering but predict p-wave cross sections too large. Compared with previous QMC scattering calculations, the integral method avoids difficulties associated with the precise computation of energy differences and with convergence outside the interaction region, which is particularly severe in the variational calculation. Application of the integral method here paves the way for its use in Green's function Monte Carlo (GFMC) calculations. In GFMC, the wave functions are more accurate, but the high-precision convergence of their tails is slow, and there are additional difficulties in reading out amplitudes. Here, the integral methods will address both of those remaining problems.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

A computer program for calculating the perfect gas inviscid flow field about blunt axisymmetric bodies at an angle of attack of 0 deg

A method for the rapid calculation of the inviscid shock layer about blunt axisymmetric bodies at an angle of attack of 0 deg has been developed. The procedure is of an inverse nature, that is, a shock wave is assumed and calculations proceed along rays normal to the shock. The solution is iterated until the given body is computed. The flow field solution procedure is programed at the Langley Research Center for the Control Data 6600 computer. The geometries specified in the program are sphores, ellipsoids, paraboloids, and hyperboloids which may conical afterbodies. The normal momentum equation is replaced with an approximate algebraic expression. This simplification significantly reduces machine computation time. Comparisons of the present results with shock shapes and surface pressure distributions obtained by the more exact methods indicate that the program provides reasonably accurate results for smooth bodies in axisymmetric flow. However, further research is required to establish the proper approximate form of the normal momentum equation for the two-dimensional case.

Zoby, E. V.↗

Applications of the modified Hulthén-Kohn method for bound and scattering states

We adapt the Hulthén–Kohn method suggested by Efros [Phys. Rev. C 99, 034620 (2019)] for calculating various observables in the continuum and discrete spectrum using two-body interactions in single- and coupled channel systems. We explore the convergence of phase shifts and wave functions as well as the location of S-matrix poles which enables obtaining both resonance and bound state parameters. We find that employing a harmonic oscillator basis, together with an interaction smoothing scheme introduced by Gyarmati et al. [Nucl. Phys. A 326, 119 (1979)], and adopting approximate bound-state solutions for the short-range components of basis wave functions lead to good convergence even with restricted oscillator quanta accessible for modern no-core shell model codes. The adapted Efros method will facilitate ab initio many-body nuclear structure applications.

Nuclear reactions↗

Generation and Radiation of Acoustic Waves from a 2-D Shear Layer

A parallel numerical simulation of the radiation of sound from an acoustic source inside a 2-D jet is presented in this paper. This basic benchmark problem is used as a test case for scattering problems that are presently being solved by using the Impedance Mismatch Method (IMM). In this technique, a solid body in the domain is represented by setting the acoustic impedance of each medium, encountered by a wave, to a different value. This impedance discrepancy results in reflected and scattered waves with appropriate amplitudes. The great advantage of the use of this method is that no modifications to a simple Cartesian grid need to be made for complicated geometry bodies. Thus, high order finite difference schemes may be applied simply to all parts of the domain. In the IMM, the total perturbation field is split into incident and scattered fields. The incident pressure is assumed to be known and the equivalent sources for the scattered field are associated with the presence of the scattering body (through the impedance mismatch) and the propagation of the incident field through a non-uniform flow. An earlier version of the technique could only handle uniform flow in the vicinity of the source and at the outflow boundary. Scattering problems in non-uniform mean flow are of great practical importance (for example, scattering from a high lift device in a non-uniform mean flow or the effects of a fuselage boundary layer). The solution to this benchmark problem, which has an acoustic wave propagating through a non-uniform mean flow, serves as a test case for the extensions of the IMM technique.

Agarwal, Anurag↗

Computing Gravitational Fields of Finite-Sized Bodies

A computer program utilizes the classical theory of gravitation, implemented by means of the finite-element method, to calculate the near gravitational fields of bodies of arbitrary size, shape, and mass distribution. The program was developed for application to a spacecraft and to floating proof masses and associated equipment carried by the spacecraft for detecting gravitational waves. The program can calculate steady or time-dependent gravitational forces, moments, and gradients thereof. Bodies external to a proof mass can be moving around the proof mass and/or deformed under thermoelastic loads. An arbitrarily shaped proof mass is represented by a collection of parallelepiped elements. The gravitational force and moment acting on each parallelepiped element of a proof mass, including those attributable to the self-gravitational field of the proof mass, are computed exactly from the closed-form equation for the gravitational potential of a parallelepiped. The gravitational field of an arbitrary distribution of mass external to a proof mass can be calculated either by summing the fields of suitably many point masses or by higher-order Gauss-Legendre integration over all elements surrounding the proof mass that are part of a finite-element mesh. This computer program is compatible with more general finite-element codes, such as NASTRAN, because it is configured to read a generic input data file, containing the detailed description of the finiteelement mesh.

Quadrelli, Marco↗

Body weight of advanced concept hypersonic aircraft

In this paper, preliminary qualitative and quantitative comparisons of the body weight of five hypersonic aircraft configurations are conducted. The five configurations are briefly described as follows: (1) a wing-and-body arrangement with a power-law, circular cross-section body and a delta wing; (2) an all-body vehicle with delta planform and elliptical cross-sections; (3) a wingless wave rider configuration; (4) a winged wave rider configuration; and (5) the spacewing concept, an oblique flying wing at low speed that yaws to 90 deg sweep and flies end-on at hypersonic speeds. The vehicles are defined by their external moldline geometries and by the interior arrangement of their fuel tanks and other components. Intersecting, circular-lobed tankage is used in vehicles with noncircular bodies. The nonusable volume of such concepts is calculated. The structural concept, structural materials, Thermal Protection System, and heat load are allowed to vary with vehicle longitudinal station. Relative strengths and weaknesses of the various hypersonic aircraft concepts in terms of body weight are summarized.

Mark D Ardema↗

Waves in Radial Gravity Using Magnetic Fluid

We are beginning laboratory experiments using magnetically active ferrofluids to study surface waves in novel geometries. Terrestrial gravity is eliminated from the dynamics, and the magnetic body force felt by ferrofluid in the presence of a magnetic field gradient is used to create a geopotential field which is a section of or an entire sphere or cylinder. New optical, electromagnetic and ultrasonic diagnostic techniques are under development to initially study capillary-gravity wave propagation and interaction in such geometries.

Ohlsen, Daniel R.↗

Advanced Features and Recent Developments in the WEC-Sim Open-Source Design Tool: Preprint

WEC-Sim is an open-source tool developed in Matlab/Simulink to simulate wave energy converters. WEC-Sim has been developed jointly by the National Renewable Energy Laboratory (NREL) and Sandia National Laboratories (SNL) since its initial release in 2014. WEC-Sim simulations are performed in the time domain based on the radiation and diffraction method using hydrodynamics coefficients derived from boundary element method (BEM)-based frequency-domain potential flow solvers (e.g., WAMIT, NEMOH, Capytaine, or ANSYS-AQWA). Within this level of modeling fidelity, WEC-Sim can handle floating body hydrodynamics, mechanical and electrical power generation methods, advanced control implementation, mooring systems, and other unique applications such as desalination. WEC-Sim functionalities are developed using Simulink blocks and Matlab functions. WEC-Sim is capabilities include simulation of different wave conditions, constraints and PTOs, body dynamics, mooring systems, among other advanced features such as nonlinear hydrodynamics, nonlinear PTOs, body-to-body interactions, etc.

hydrodynamics modeling↗

Computation of axisymmetric and ionized flows using particle and continuum methods

Comparisons between particle and continuum simulations of hypersonic near-continuum flows are presented. The particle approach employs the direct simulation Monte Carlo method (DSMC), and the continuum approach solves the Euler equations. Both simulations have thermochemistry models for air implemented including ionization. A new axisymmetric DSMC code which is efficiently vectorized is developed for this study. In this DSMC code, particular attention is paid to matching the relaxation rates employed in the continuum approach. This investigation represents a continuation of a previous study which considered thermochemical relaxation in one-dimensional shock waves of nitrogen. Comparison of the particle and continuum methods is first made for an axisymmetric blunt-body flow of air at 7 km/s. Very good agreement is obtained for the two solutions. The two techniques also compare well for a one-dimensional shock wave in air at 10 km/s. In both applications, the results are found to be sensitive to various aspects of the chemistry models employed.

Boyd, Iain D.↗

Computation of axisymmetric and ionized hypersonic flows using particle and continuum methods

Comparisons between particle and continuum simulations of hypersonic near-continuum flows are presented. The particle approach employs the direct simulation Monte Carlo (DSMC) method, and the continuum approach solves the appropriate equations of fluid flow. Both simulations have thermochemistry models for air implemented including ionization. A new axisymmetric DSMC code that is efficiently vectorized is developed for this study. In this DSMC code, particular attention is paid to matching the relaxation rates employed in the continuum approach. This investigation represents a continuum of a previous study that considered thermochemical relaxation in one-dimensional shock waves of nitrogen. Comparison of the particle and continuum methods is first made for an axisymmetric blunt-body flow of air at 7 km/s. Very good agreement is obtained for the two solutions. The two techniques also compare well for a one-dimensional shock wave in air at 10 km/s. In both applications, the results are found to be sensitive to various aspects of the chemistry model employed.

Boyd, Iain D.↗

Theoretical study of hole initiated impact ionization in bulk silicon and GaAs using a wave-vector-dependent numerical transition rate formulation within an ensemble Monte Carlo calculation

In this paper, calculations of the hole initiated interband impact ionization rate in bulk silicon and GaAs are presented based on an ensemble Monte Carlo simulation with the inclusion of a wave-vector-dependent numerical transition rate formulation. The ionization transition rate is determined for each of the three valence bands, heavy, light, and split-off, using Fermi's golden rule with a two-body, screened Coulomb interaction. The dielectric function used within the calculation is assumed to be wave-vector-dependent. Calculations of the field-dependent impact ionization rate as well as the quantum yield are presented. It is found from both the quantum yield results and examination of the hole distribution function that the effective threshold energy for hole initiated impact ionization is relatively soft, similar to that predicted for the corresponding electron initiated ionization events occur more frequently than either heavy or split-offf initiated ionization events in bulk silicon over the applied electric field strengths examined here, 250-500 kV/cm. Conversely,in GaAs, the vast majority of hole initated ionization events originate from holes within the split-off band.

Oguzman, Ismail H.↗

Layer-resolved many-electron interactions in delafossite PdCoO2 from standing-wave photoemission spectroscopy

Abstract When a three-dimensional material is constructed by stacking different two-dimensional layers into an ordered structure, new and unique physical properties can emerge. An example is the delafossite PdCoO 2 , which consists of alternating layers of metallic Pd and Mott-insulating CoO 2 sheets. To understand the nature of the electronic coupling between the layers that gives rise to the unique properties of PdCoO 2 , we revealed its layer-resolved electronic structure combining standing-wave X-ray photoemission spectroscopy and ab initio many-body calculations. Experimentally, we have decomposed the measured VB spectrum into contributions from Pd and CoO 2 layers. Computationally, we find that many-body interactions in Pd and CoO 2 layers are highly different. Holes in the CoO 2 layer interact strongly with charge-transfer excitons in the same layer, whereas holes in the Pd layer couple to plasmons in the Pd layer. Interestingly, we find that holes in states hybridized across both layers couple to both types of excitations (charge-transfer excitons or plasmons), with the intensity of photoemission satellites being proportional to the projection of the state onto a given layer. This establishes satellites as a sensitive probe for inter-layer hybridization. These findings pave the way towards a better understanding of complex many-electron interactions in layered quantum materials.

36 MATERIALS SCIENCE↗

Ultra-narrow-linewidth hybrid-integrated self-injection locked laser at 780 nm

Narrow-linewidth lasers are essential across a wide range of applications, including classical and quantum sensing, trapped ion systems, position/navigation/timing systems, optical clocks, and microwave frequency synthesizers. In the visible and near-visible spectrum, low-noise lasers are particularly important for laser trapping and cooling techniques, which are vital for trapped ion quantum computing, sensing, and atomic clocks. In this context, our work showcases a hybrid-integrated narrow-linewidth laser that operates at 780 nm, achieving a self-heterodyne linewidth of 105 Hz. To validate the experimental results, we performed a numerical analysis that combines insights from a many-body theory applied to the gain region with a travelling-wave model to capture the laser dynamics. Our investigation further delves into how the linewidth of the self-injection locked lasers is influenced by the parameters of micro-ring resonators, aiming to assess the potential for achieving Hz-level integrated laser linewidths at 780 nm. This work not only demonstrates the technical feasibility of Hz-level narrow-linewidth lasers but also lays the groundwork for future explorations in the field.

Prokoshin, Artem (ORCID:0009000699760238)↗

An experimental study of a three-dimensional shock wave/turbulent boundary-layer interaction at a hypersonic Mach number

Experimental data for a series of three-dimensional shock-wave/turbulent-boundary-layer interaction flows at Mach 8.2 are presented. The test bodies, composed of sharp fins fastened to a flat-plate test surface, were designed to generate flows with varying degrees of pressure gradient, boundary-layer separation, and turning angle. The data include surface-pressure, heat-transfer, and skin-friction distributions, as well as limited mean flowfield surveys both in the undisturbed and interaction regimes. The data were obtained for the purpose of validating computational models of these hypersonic interactions.

Kussoy, M. I.↗

Computation of Sound Propagation by Boundary Element Method

This report documents the development of a Boundary Element Method (BEM) code for the computation of sound propagation in uniform mean flows. The basic formulation and implementation follow the standard BEM methodology; the convective wave equation and the boundary conditions on the surfaces of the bodies in the flow are formulated into an integral equation and the method of collocation is used to discretize this equation into a matrix equation to be solved numerically. New features discussed here include the formulation of the additional terms due to the effects of the mean flow and the treatment of the numerical singularities in the implementation by the method of collocation. The effects of mean flows introduce terms in the integral equation that contain the gradients of the unknown, which is undesirable if the gradients are treated as additional unknowns, greatly increasing the sizes of the matrix equation, or if numerical differentiation is used to approximate the gradients, introducing numerical error in the computation. It is shown that these terms can be reformulated in terms of the unknown itself, making the integral equation very similar to the case without mean flows and simple for numerical implementation. To avoid asymptotic analysis in the treatment of numerical singularities in the method of collocation, as is conventionally done, we perform the surface integrations in the integral equation by using sub-triangles so that the field point never coincide with the evaluation points on the surfaces. This simplifies the formulation and greatly facilitates the implementation. To validate the method and the code, three canonic problems are studied. They are respectively the sound scattering by a sphere, the sound reflection by a plate in uniform mean flows and the sound propagation over a hump of irregular shape in uniform flows. The first two have analytical solutions and the third is solved by the method of Computational Aeroacoustics (CAA), all of which are used to compare the BEM solutions. The comparisons show very good agreements and validate the accuracy of the BEM approach implemented here.

Guo, Yueping↗

NASA Tech Briefs, August 2006

Topics covered include: Measurement and Controls Data Acquisition System IMU/GPS System Provides Position and Attitude Data Using Artificial Intelligence to Inform Pilots of Weather Fast Lossless Compression of Multispectral-Image Data Developing Signal-Pattern-Recognition Programs Implementing Access to Data Distributed on Many Processors Compact, Efficient Drive Circuit for a Piezoelectric Pump; Dual Common Planes for Time Multiplexing of Dual-Color QWIPs; MMIC Power Amplifier Puts Out 40 mW From 75 to 110 GHz; 2D/3D Visual Tracker for Rover Mast; Adding Hierarchical Objects to Relational Database General-Purpose XML-Based Information Managements; Vaporizable Scaffolds for Fabricating Thermoelectric Modules; Producing Quantum Dots by Spray Pyrolysis; Mobile Robot for Exploring Cold Liquid/Solid Environments; System Would Acquire Core and Powder Samples of Rocks; Improved Fabrication of Lithium Films Having Micron Features; Manufacture of Regularly Shaped Sol-Gel Pellets; Regulating Glucose and pH, and Monitoring Oxygen in a Bioreactor; Satellite Multiangle Spectropolarimetric Imaging of Aerosols; Interferometric System for Measuring Thickness of Sea Ice; Microscale Regenerative Heat Exchanger Protocols for Handling Messages Between Simulation Computers Statistical Detection of Atypical Aircraft Flights NASA's Aviation Safety and Modeling Project Multimode-Guided-Wave Ultrasonic Scanning of Materials Algorithms for Maneuvering Spacecraft Around Small Bodies Improved Solar-Radiation-Pressure Models for GPS Satellites Measuring Attitude of a Large, Flexible, Orbiting Structure

Source record↗

Effective Hamiltonians derived from equation-of-motion coupled-cluster wave functions: Theory and application to the Hubbard and Heisenberg Hamiltonians

Effective Hamiltonians, which are commonly used for fitting experimental observables, provide a coarse-grained representation of exact many-electron states obtained in quantum chemistry calculations; however, the mapping between the two is not trivial. In this contribution, we apply Bloch’s formalism to equation-of-motion coupled-cluster (EOM-CC) wave functions to rigorously derive effective Hamiltonians in the Bloch’s and des Cloizeaux’ forms. We report the key equations and illustrate the theory by application to systems with two or three unpaired electrons, which give rise to electronic states of covalent and ionic characters. We show that the Hubbard and Heisenberg Hamiltonians can be extracted directly from the so-obtained effective Hamiltonians. By establishing a quantitative connection between many-body states and simple models, the approach facilitates the analysis of the correlated wave functions. We propose a simple diagnostic for assessing the validity of the model space choice based on the overlaps between the target- and model-space states. Finally, artifacts affecting the quality of electronic structure calculations such as spin contamination are also discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigation at Mach Numbers of 0.20 to 3.50 of Blended Wing-Body Combinations of Sonic Design with Diamond, Delta, and Arrow Plan Forms

The models had aspect-ratio-2 diamond, delta, and arrow wings with the leading edges swept 45.00 deg, 59.04 deg, and 70.82 deg, respectively. The wing sections were computed by varying the section shape along with the body radii (blending process) to match the prescribed area distribution and wing plan form. The wing sections had an average value of maximum thickness ratio of about 4 percent of the local chords in a streamwise direction. The models were tested with transition fixed at Reynolds numbers of about 4,000,000 to 9,000,0000, based on the mean aerodynamic chord of the wings. The effect of varying Reynolds number was checked at both subsonic and supersonic speeds. The diamond model was superior to the other plan forms at transonic speeds ((L/D)max = 11.00 to 9.52) because of its higher lift-curve slope and near optimum wave drag due to the blending process. For the wing thickness tested with the diamond model, the marked body and wing contouring required for transonic conditions resulted in a large wave-drag penalty at the higher supersonic Mach numbers where the leading and trailing edges of the wing were supersonic. Because of the low sweep of the trailing edge of the delta model, this configuration was less adaptable to the blending process. Removing a body bump prescribed by the Mach number 1.00 design resulted in a good supersonic design. This delta model with 10 percent less volume was superior to the other plan forms at Mach numbers of 1.55 to 2.35 ((L/D)max = 8.65 to 7.24), but it and the arrow model were equally good at Mach numbers of 2.50 to 3.50 ((L/D)max - 6.85 to O.39). At transonic speeds the arrow model was inferior because of the reduced lift-curve slope associated with its increased sweep and also because of the wing base drag. The wing base-drag coefficients of the arrow model based on the wing planform area decreased from a peak value of 0.0029 at Mach number 1.55 to 0.0003 at Mach number 3.50. Linear supersonic theory was satisfactory for predicting the aerodynamic trends at Mach numbers from 1.55 to 3.50 of lift-curve slope, wave drag, drag due to lift, aerodynamic-center location, and maximum lift-drag ratios for each of the models.

Holdaway, George H.↗