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At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Symmetrized Drude Oscillator Force Fields Improve Numerical Performance of Polarizable Molecular Dynamics

Drude oscillator potentials are a popular and computationally efficient class of polarizable models that represent each polarizable atom as a positively charged Drude core harmonically bound to a negatively charged Drude shell. Here we show that existing force fields that place all non-Coulomb forces on the Drude core and none on the shell inadvertently couple the dipole to non-Coulombic forces. This introduces errors where interactions with neutral particles can erroneously induce atomic polarization, leading to spurious polarizations in the absence of an electric field, exacerbating violations of equipartition in the employed Carr–Parinello scheme. A suitable symmetrization of the interaction potential that correctly splits the force between the Drude core and shell can correct this shortcoming, improving the stability and numerical performance of Drude oscillator-based simulations. The symmetrization procedure is straightforward and only requires the rescaling of a few force field parameters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1994

Shortwave feedbacks and El Nino-Southern Oscillation: Forced ocean coupled ocean-atmosphere experiments

Changes in tropical sea surface temperature (SST) can produce changes in cloudiness that modify incoming solar shortwave (SW) radiation, which in turn affects SST. The effects of this negative feedback on Pacific interannual variability are examined in forced ocean model and hybrid coupled ocean-atmosphere model simulations. Two empirical schemes are used to model the large-scale, low-frequency response of surface SW to SST anomalies. The first scheme attempts to account for the nonlocal nature of the atmospheric response to SST based patterns of covariability analyzed through singular value decomposition. In the observations the primary coupled mode of variability is composed of a SW anomaly in the central Pacific that covaries with anomalous SST in the eastern Pacific. This is applied in the model as a nonlocal feedback. The second scheme examines the effects of a purely local feedback with a spatially varying coefficient of magnitude chosen similar to the first scheme. In almost all cases the second scheme behaved similarly to the first, presumably because the correlation scale of SST is large enough for El Nino-Southern Oscillation (ENSO) dynamics that there is little sensitivity to the local approximation in the SW feedback. In simulations forced by time series of observed wind stress the SW feedback induced very minor SST damping. Results for a simpified heat budget analysis showed that while the SW feedback increased the local heat flux damping on SST, it also induced a mean shallowing of the mixed layer. The resulting changes in both the local mean vertical temperature gradient and the zonal velocity response to the wind stress acted to oppose the local heat flux damping effects. When the observed SW anomalies were applied to forced simulations, the simulated SST anomalies were modified as expected, and agreement with observed SST improved. In coupled simulations the SW feedbacks had greater impact than in the case of specified stress. The main effects were to decrease the magnitude of the warm and cold SST anomalies in the central Pacific, while leaving the pattern and evolution of ENSO anomalies essentially unchanged elsewhere. The SW feedbacks thus produce a modest improvement of the model ENSO SST pattern compared with observations, although they tended to shorten the period of the model ENSO cycle. Overall the results suggest that large-scale SW feedbacks are of quantitative importance to simulating some aspects of the ENSO cycle but are not critical to the overall occurrence of the phenomenon.

Waliser, Duane E.↗
NASA NTRS1978

Forced oscillations in quadratically damped systems

Bayliss (1975) has studied the question whether in the case of linear differential equations the relationship between the stability of the homogeneous equations and the existence of almost periodic solutions to the inhomogeneous equation is preserved by finite difference approximations. In the current investigation analogous properties are considered for the case in which the damping is quadratic rather than linear. The properties of the considered equation for arbitrary forcing terms are examined and the validity is proved of a theorem concerning the characteristics of the unique solution. By using the Lipschitz continuity of the mapping and the contracting mapping principle, almost periodic solutions can be found for perturbations of the considered equation. Attention is also given to the Lipschitz continuity of the solution operator and the results of numerical tests which have been conducted to test the discussed theory.

Bayliss, A.↗
DOE OSTI2024

Statistical Performance of Forced Oscillation Detectors in the Presence of Missing Measurements

In bulk power systems, measurement-based monitoring for large oscillations can help maintain system reliability. One of the challenges encountered in a recent field demonstration was the unavailability of measurements due to underlying measurement quality or communication problems. During the demonstration, the oscillation detector ignored a measurement location if even 10 seconds of data was missing. To extend the detector's ability to operate in these conditions, this paper evaluates the impact of three methods for addressing missing data. The strengths and weaknesses of each approach are evaluated using theoretical expressions for the probability of detection along with results from simulated data and publicly available field measurements. Based on these results, a suitable approach is identified that can extend the oscillation detector's performance when large segments of data are missing.

Follum, James D.↗
NASA NTRS1987

Numerical simulation of self-sustained and forced oscillations in jet shear layers

Excitation of axisymmetric jet shear layers has been investigated by solving the time-dependent compressible Navier-Stokes equations. MacCormack's explicit finite difference scheme is used in performing the computations on a CRAY X-MP computer. This work examines the influence of various means of excitation of the shear layer, to produce large scale vortex structures in such a manner that the mixing between two flows will be enhanced or diminished. While successful pressure excitation has been achieved in previous studies only limited success with temperature excitation at the inflow boundary has been accomplished. The current study focuses on the use of temperature excitation through the boundary layer immediately inside the jet lip. In order to achieve the required resolution significant grid refinement is necessary. The results of the computation with and without temperature excitation are analyzed and compared with results obtained using pressure excitation. The influence of amplitude and frequency on specific flow characteristics are also examined. The excitation frequency for both the temperature and pressure corresponds to a Strouhal number of .45 and the inflow jet Mach number is approximately .3.

Scott, J. N.↗
NASA NTRS2014

Hybrid Wing Body Model Identification Using Forced-Oscillation Water Tunnel Data

Static and dynamic testing of the NASA 0.7 percent scale Hybrid Wing Body (HWB) configuration was conducted in the Rolling Hills Research Corporation water tunnel to investigate aerodynamic behavior over a large range of angle-of-attack and to develop models that can predict aircraft response in nonlinear unsteady flight regimes. This paper reports primarily on the longitudinal axis results. Flow visualization tests were also performed. These tests provide additional static data and new dynamic data that complement tests conducted at NASA Langley 14- by 22-Foot Subsonic Tunnel. HWB was developed to support the NASA Environmentally Responsible Aviation Project goals of lower noise, emissions, and fuel burn. This study also supports the NASA Aviation Safety Program efforts to model and control advanced transport configurations in loss-of-control conditions.

Murphy, Patrick C.↗
DOE OSTI2015

Numerical analysis of randomly forced glycolitic oscillations

Randomly forced glycolytic oscillations in Higgins model are studied both numerically and analytically. Numerical analysis is based on the direct simulation of the solutions of stochastic system. Non-uniformity of the stochastic bundle along the deterministic cycle is shown. For the analytical investigation of the randomly forced Higgins model, the stochastic sensitivity function technique and confidence domains method are applied. Results of the influence of additive noise on the cycle of this model are given.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1984

Wind-tunnel free-flight investigation of a model of a forward-swept-wing fighter configuration

A wind-tunnel free-flight investigation was conducted to study the dynamic stability characteristics of a model of a forward-swept-wing fighter-airplane configuration at high angles of attack. Various other wind-tunnel techniques employed in the study included static- and dynamic- (forced-oscillation) force tests, free-to-roll tests, and flow-visualization tests. A unique facet of the study was the extreme level of static pitch instability (in excess of negative 32-percent static margin) inherent in the airframe design which precluded free-flight testing without stability augmentation in pitch. Results are presented which emphasize the high-angle-of-attack aerodynamics and the vehicle-component contributions to these characteristics. The effects of these aerodynamic characteristics on the high-angle-of-attack flying qualities of the configuration are discussed in terms of results of the wind-tunnel free-flight tests.

Murri, D. G.↗
DOE OSTI2020

Pacific decadal oscillation remotely forced by the equatorial Pacific and the Atlantic Oceans

Abstract The Pacific Decadal Oscillation (PDO), the leading mode of Pacific decadal sea surface temperature variability, arises mainly from combinations of regional air-sea interaction within the North Pacific Ocean and remote forcing, such as from the tropical Pacific and the Atlantic. Because of such a combination of mechanisms, a question remains as to how much PDO variability originates from these regions. To better understand PDO variability, the equatorial Pacific and the Atlantic impacts on the PDO are examined using several 3-dimensional partial ocean data assimilation experiments conducted with two global climate models: the CESM1.0 and MIROC3.2m. In these partial assimilation experiments, the climate models are constrained by observed temperature and salinity anomalies, one solely in the Atlantic basin and the other solely in the equatorial Pacific basin, but are allowed to evolve freely in other regions. These experiments demonstrate that, in addition to the tropical Pacific’s role in driving PDO variability, the Atlantic can affect PDO variability by modulating the tropical Pacific climate through two proposed processes. One is the equatorial pathway, in which tropical Atlantic sea surface temperature (SST) variability causes an El Niño-like SST response in the equatorial Pacific through the reorganization of the global Walker circulation. The other is the north tropical pathway, where low-frequency SST variability associated with the Atlantic Multidecadal Oscillation induces a Matsuno-Gill type atmospheric response in the tropical Atlantic-Pacific sectors north of the equator. These results provide a quantitative assessment suggesting that 12–29% of PDO variance originates from the Atlantic Ocean and 40–44% from the tropical Pacific. The remaining 27–48% of the variance is inferred to arise from other processes such as regional ocean-atmosphere interactions in the North Pacific and possibly teleconnections from the Indian Ocean.

Meteorology & Atmospheric Sciences↗