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At least 235 records · Page 13

Orbital-selective Mott phases of a one-dimensional three-orbital Hubbard model studied using computational techniques

A recently introduced one-dimensional three-orbital Hubbard model displays orbital-selective Mott phases with exotic spin arrangements such as spin block states [J. Rincón et al., Phys. Rev. Lett. 112, 106405 (2014)]. In this paper we show that the constrained-path quantum Monte Carlo (CPQMC) technique can accurately reproduce the phase diagram of this multiorbital one-dimensional model, paving the way to future CPQMC studies in systems with more challenging geometries, such as ladders and planes. The success of this approach relies on using the Hartree-Fock technique to prepare the trial states needed in CPQMC. In addition, we study a simplified version of the model where the pair-hopping term is neglected and the Hund coupling is restricted to its Ising component. The corresponding phase diagrams are shown to be only mildly affected by the absence of these technically difficult-to-implement terms. This is confirmed by additional density matrix renormalization group and determinant quantum Monte Carlo calculations carried out for the same simplified model, with the latter displaying only mild fermion sign problems. Lastly, we conclude that these methods are able to capture quantitatively the rich physics of the several orbital-selective Mott phases (OSMP) displayed by this model, thus enabling computational studies of the OSMP regime in higher dimensions, beyond static or dynamic mean-field approximations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Experimental and Computational Analysis of Shuttle Orbiter Hypersonic Trim Anomaly

During the high-Mach-number, high-altitude portion of the first entry of the Shuttle Orbiter, the vehicle exhibited a nose-up pitching moment relative to preflight prediction of approximately Delta Cm = 0.03. This trim anomaly has been postulated to be due to compressibility, viscous, and/or real-gas (lowered specific heat ratio gamma) effects on basic body pitching moment, body-flap effectiveness, or both. In order to assess the relative contribution of each of these effects, an experimental study was undertaken to examine the effects of Mach number, Reynolds number, and ratio of specific heats. Complementary computational solutions were obtained for wind-tunnel and flight conditions. The primary cause of the anomaly was determined to be lower pressures on the aft windward surface of the Orbiter than deduced from hypersonic wind-tunnel tests with ideal- or near-ideal-gas test flow. The lower pressure levels are a result of the lowering of the flowfield gamma due to high-temperature effects. This phenomenon was accurately simulated in a hypersonic wind tunnel using a heavy gas, which provided a lower, gamma, and was correctly predicted by Navier-Stokes computations using nonequilibrium chemistry.

Brauckmann, Gregory J.↗

Cloud Computing Methods for Near Rectilinear Halo Orbit Trajectory Design

Complicated mission design problems require innovative computational solutions. As spacecraft depart from a proposed Gateway in a Near Rectilinear Halo Orbit (NRHO), recontact analysis is required to avoid risk of collision and ensure safe operations. Escape dynamics from NRHOs are governed by multiple gravitational bodies, yielding a trajectory design space that is exhaustively large. This paper summarizes the recontact analysis for departure from the NRHO and describes how the Deep Space Trajectory Explorer (DSTE) trajectory design software incorporates high performance cloud computing to compute and visualize the orbit design space. Recent focus on exploration missions to cislunar space has kindled accelerated interest in multibody orbit solutions. Trajectory analysis in the presence of multiple gravity fields is complex, and innovative computational tools are needed to simplify complicated design spaces, to generate large quantities of data quickly, and to visualize the output for user accessibility. The Gateway mission is a prime example. The Gateway1 is proposed as a human outpost in deep space. The current baseline orbit for the Gateway is a Near Rectilinear Halo Orbit (NRHO) near the Moon.2 The NRHO exists in a regime that experiences the gravitational effects of the Earth and the Moon simultaneously, complicating orbit analysis. The mission design process benefits greatly from updated computational tools for multibody missions like the Gateway. As an example, consider the problem of assessing the risk of collision in an NRHO. As a staging location to missions to the lunar surface and beyond the Earth-Moon system, the Gateway will experience spacecraft and other objects regularly arriving and departing. Departing objects potentially include spent logistics modules, visiting crew vehicles, debris objects, wastewater particles, and cubesats. Each departure is governed by the dynamics of the Gateway orbit and the surrounding dynamical environment. Over time, any unmaintained object in such an orbit eventually departs due to the small instabilities associated with the NRHOs. A separation maneuver speeds the departure from the NRHO, but the effects of the maneuver on the spacecraft behavior depend on the location, magnitude, and direction of the burn. Escape dynamics from the NRHO with regard to these maneuver options open up an enormous potential trajectory design space where subtle changes in input can produce dramatically large changes in the results. Any departing object must avoid recontacting the Gateway as it leaves the lunar vicinity, and a recontact analysis thus involves a significant number of computations and extensive output data. To explore the dynamics of this extensive design space, the Deep Space Trajectory Explorer3 (DSTE) trajectory design software incorporates new High Performance Computing (HPC) services and novel interactive visualizations. This paper details the HPC and cloud infrastructure techniques that are implemented in the DSTE, applying the new capabilities to analysis of recontact risk with the Gateway in NRHO. NEAR RECTILINEAR HALO ORBITS The Gateway is planned to fly in a lunar NRHO as its baseline orbit. The NRHO families of orbits are subsets of the larger halo families, which originate from planar orbits near the L1 and L2 libration points; the Earth-Moon L2 halo family appears in Figure 1. Each halo orbit is perfectly periodic in the Circular Restricted 3-Body Problem (CR3BP) and becomes a quasi-periodic orbit in a higher fidelity ephemeris force model. The NRHOs are defined as those members of the halo family with bounded stability properties;2 they pass near the Moon at perilune and are nearly polar. Families exist with apolunes located both above the lunar north pole and above the lunar south pole; the Gateway is planned to reside in a southern L2 NRHO in a 9:2 resonance with the lunar synodic period. The 9:2 NRHO is characterized by a period of about 6.5 days, a perilune radius of about 3,500 km, and an apolune radius of about 71,000 km; it is strongly affected by the gravity of both the Earth and the Moon simultaneously. This NRHO offers extended communications with assets on the south pole of the Moon,4 as well as low-cost orbit maintenance and attitude control,5 favorable eclipse avoidance properties,6 and inexpensive transfers from Earth and to other destinations.5,7 The NRHO portion of the southern L2 halo family is highlighted in black in Figure 1, and the 9:2 NRHO appears in blue.

Phillips, Sean M.↗

Results of the 3 November 1974 Applications Technology Satellite-6 (ATS-6) trilateration test

The highly successful 24 hour trilateration tracking and orbit determination test conducted on 3 November 1974 is described. In this test a new method of accurately computing geostationary spacecraft orbits was applied to the Applications Technology Satellite (ats-6). A single tracking station interrogates several strategically deployed ground based transponders via the synchronous satellite whose orbit is to be determined. The ATS-6 tracking data measurement noise over the 24 hour period was observed to be 0.3 mm/sec in range rate and 1.5 meters in range. By means of overlap orbit computation using 2 separate tracking data bases, the ATS-6 total position and velocity uncertainties were determined to reach a minimum of 30 meters and 0.2 cm/sec respectively. The maximum position and velocity uncertainty over this same time period was determined to be approximately 250 meters and 2 cm/sec respectively. A position determination using simultaneous tracking of the NASA-GSFC site by ATS-6 and ATS-3 was also performed. Station location recovery was to an accuracy on the order of 100 meters over the first 10 hours of tracking.

Schmid, P. E.↗

Non-numeric computation for high eccentricity orbits

Geocentric orbits of large eccentricity (e = 0.9 to 0.95) are significantly perturbed in cislunar space by the sun and moon. The time-history of the height of perigee, subsequent to launch, is particularly critical. The determination of 'launch windows' is mostly concerned with preventing the height of perigee from falling below its low initial value before the mission lifetime has elapsed. Between the extremes of high accuracy digital integration of the equations of motion and of using an approximate, but very fast, stability criteria method, this paper is concerned with the developement of a method of intermediate complexity using non-numeric computation. The computer is used as the theory generator to generalize Lidov's theory using six osculating elements. Symbolic integration is completely automatized and the output is a set of condensed formulae well suited for repeated applications in launch window analysis. Examples of applications are given.

Sridharan, R.↗

A digital Orrery

The Orrery, a special computer for high-speed high-precision orbital mechanics computations has been designed and built. On the problems the Orrery was designed to solve, it achieves approximately 10 Mflops in about 1 cu ft of space while consuming 150 W of power. The specialized parallel architecture of the Orrery, which is well matched to orbital mechanics problems, is the key to obtaining such high performance. In this paper the design, construction, and programming of the Orrery is discussed.

Applegate, J. H.↗

BALLIST: A computer program to empirically predict the bumper thickness required to prevent perforation of the Space Station by orbital debris

A computer program called BALLIST that is intended to be a design tool for engineers is described. BALLlST empirically predicts the bumper thickness required to prevent perforation of the Space Station pressure wall by a projectile (such as orbital debris) as a function of the projectile's velocity. 'Ballistic' limit curves (bumper thickness vs. projectile velocity) are calculated and are displayed on the screen as well as being stored in an ASCII file. A Whipple style of spacecraft wall configuration is assumed. The predictions are based on a database of impact test results. NASA/Marshall Space Flight Center currently has the capability to generate such test results. Numerical simulation results of impact conditions that can not be tested (high velocities or large particles) can also be used for predictions.

Rule, William Keith↗

Computer-generated formulas for three-center nuclear-attraction integrals (electrostatic potential) for Slater-type orbitals

The computer-assisted C-matrix, Loewdin-alpha-function, single-center expansion method in spherical harmonics has been applied to the three-center nuclear-attraction integral (potential due to the product of separated Slater-type orbitals). Exact formulas are produced for 13 terms of an infinite series that permits evaluation to ten decimal digits of an example using 1s orbitals.

Jones, H. W.↗

Computational study of frontier orbitals, moments, chemical reactivity and thermodynamic parameters of sildenafil

Analysis of frontier orbitals of sildenafil has been carried using Density Functional Theory. On the basis of HOMO-LUMO energy, values of global chemical reactivity descriptors such as electronegativity, chemical hardness, softness, chemical potential, electrophilicity index have been calculated. Calculated values of dipole moment, polarizability, hyperpolarizability have also been reported for sildenafil along with its thermodynamic parameters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Computational analysis of ion orbital loss in diverted positive- and negative-triangularity tokamaks

The mechanism of ion orbital loss in diverted negative-triangularity (NT) tokamaks is significantly different from that of positive-triangularity (PT) tokamaks. The orbital loss from the edge of NT tokamaks can be quite large, because the separatrix X-point is located on the outboard side, meaning that trapped ions crossing the separatrix are lost to the inboard divertor plate after a mirror reflection on the side of the strong magnetic field. NT tokamaks have difficulties in building up steep pressure gradients in the edge regions. However, the majority of trapped ions crossing the separatrix in PT tokamaks survive (through complete banana motions) without reaching the X-point region. For NT tokamaks, topological changes in the trapped ion trajectories can be achieved in the presence of the radial electric field, thus reducing the orbital loss, whereas for PT tokamaks, the orbital loss is relatively insensitive to the radial electric field.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Computer-aided space shuttle orbiter wing design study

An analytical and experimental investigation has been made to provide a space shuttle orbiter wing design that met the guideline requirements of landing performance, stability, and hypersonic trim for a specified center-of-gravity envelope. The analytical study was facilitated by the use of the Optimal Design Integration system (ODIN) and the experimental part of the investigation was conducted in the Langley low-turbulence pressure tunnel and the Langley continuous-flow hypersonic tunnel.

Phillips, W. P.↗