Score Dynamics: Scaling Molecular Dynamics with Picoseconds Time Steps via Conditional Diffusion Model
Not Available
SEARCH · Search NASA
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.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
Not Available
Large scale systems are defined as systems requiring more than one decision maker to control the system. Decentralized control and decomposition are discussed for large scale dynamic systems. Information and many-person decision problems are analyzed.
A shake test was performed on the Large Scale Dynamic Rig in the 40- by 80-Foot Wind Tunnel in support of the McDonnell Douglas Advanced Rotor Technology (MDART) Test Program. The shake test identifies the hub modes and the dynamic calibration matrix of the rotor balance. For hub mode identification, three configurations were tested: wind tunnel scale unlocked with dampers engaged and disengaged, and wind tunnel scale locked. Test data were analyzed with a multi-degree-of-freedom time domain algorithm to identify the modal properties of the hub modes. The damping of the low frequency hub modes (ground resonance modes) increases significantly with the wind tunnel dampers engaged. For dynamic calibration of the rotor balance, the shake test was performed only with the wind tunnel dampers engaged. The dynamic calibration matrix, computed from the shake test data using a least squares error method, is used to correct the five-per-rev vibratory balance readings. The corrections are large for the side force, moderate for the axial force and inplane hub moments, and small for the normal force.
The purpose of this paper is to outline the derivation and limitations of a dynamic scaling law for Earth based testing of this type of Mars terminal descent system.
Classes of large scale dynamic systems were discussed in the context of modern control theory. Specific examples discussed were in the technical fields of aeronautics, water resources and electric power.
Full scale dynamic test programs of large booster vehicles - monograph
Here, in this work, a multi-scale model of a radial flow fixed bed contactor packed with a carbon sorbent is developed and validated with laboratory-scale and pilot plant scale dynamic data. For the lab scale system, the model results were compared with low, medium and high gas and sweep flowrates, yielding root mean square error (RMSE) of 0.80, 0.63, 0.96 CO 2 mol%, respectively, for the outlet CO 2 concentration profile considering the entire A-D cycle. For the bed outer temperature profile, maximum RMSE was found to be 5.5 °C considering all flowrates and entire A-D cycles. An experimental campaign was developed and applied to a pilot plant at Technology Center Mongstad (TCM), Norway. Approaches were developed for pre-processing of data including consideration of the effect of gas mixing, measurement delay, and determination of cyclic steady-state conditions. Considering profiles during A-D cycles for all test runs, it was found that the maximum RMSE for pressure drop, temperature for the outer section of the bed, temperature for the middle section of the bed, and outlet CO 2 concentration profile remained less than 1.5 mbar, 3.5 °C, 2.8 °C, and 1.3 CO 2 mol%, respectively. The validated model was used to perform sensitivity studies on several key design operating variables for the adsorption-desorption cycle. It was found that the flow rate and concentration of flue gas have dominant nonlinear effects on the breakthrough time while the desorption time was strongly affected by the sweep gas flowrate for the specific sorbent being evaluated in this study.
Explore the source record for details and available documents.
The classes of large-scale dynamic systems are discussed in terms of modeling with emphasis on air transportation system modeling.
Understanding the large-scale dynamics of the magnetospheric boundary is an important step towards achieving the ISTP mission's broad objective of assessing the global transport of plasma and energy through the geospace environment. Our approach is based on three-dimensional global magnetohydrodynamic (MHD) simulations of the solar wind-magnetosphere- ionosphere system, and consists of using interplanetary magnetic field (IMF) and plasma parameters measured by solar wind monitors upstream of the bow shock as input to the simulations for predicting the large-scale dynamics of the magnetospheric boundary. The validity of these predictions is tested by comparing local data streams with time series measured by downstream spacecraft crossing the magnetospheric boundary. In this paper, we review results from several case studies which confirm that our MHD model reproduces very well the large-scale motion of the magnetospheric boundary. The first case illustrates the complexity of the magnetic field topology that can occur at the dayside magnetospheric boundary for periods of northward IMF with strong Bx and By components. The second comparison reviewed combines dynamic and topological aspects in an investigation of the evolution of the distant tail at 200 R(sub E) from the Earth.
An implementation of the replica exchange with dynamical scaling (REDS) method in the commonly used molecular dynamics program GROMACS is presented. REDS is a replica exchange method that requires fewer replicas than conventional replica exchange while still providing data over a range of temperatures and can be used in either constant volume or constant pressure ensembles. Details for running REDS simulations are given, and an application to the human islet amyloid polypeptide (hIAPP) 11-25 fragment shows that the model efficiently samples conformational space.
Dynamic problems of aerospace vehicles, using aeroelastically scaled dynamic models
Goals: Water budget-related dynamical phase space; Connect large-scale dynamical conditions to atmospheric water budget (including precipitation); Connect atmospheric water budget to cloud type distributions.
Research on the F/A-18E/F configuration was conducted using a 22%-dynamically-scaled drop model to study flight dynamics in the subsonic regime. Several topics were investigated including longitudinal response, departure/spin resistance, developed spins and recoveries, and the failing leaf mode. Comparisons to full-scale flight test results were made and show the drop model strongly correlates to the airplane even under very dynamic conditions. The capability to use the drop model to expand on the information gained from full-scale flight testing is also discussed. Finally, a preliminary analysis of an unusual inclined spinning motion, dubbed the "cartwheel", is presented here for the first time.
Yb 2 Ti 2 O 7 is a celebrated example of a pyrochlore magnet with highly frustrated, anisotropic exchange interactions. To date, attention has largely focused on its unusual, static properties, many of which can be understood as coming from the competition between different types of magnetic order. Here, in this work, we use inelastic neutron scattering with exceptionally high energy resolution to explore the dynamical properties of Yb 2 Ti 2 O 7 . We find that spin correlations exhibit dynamical scaling, analogous to behavior found near to a quantum critical point. We show that the observed scaling collapse can be explained within a phenomenological theory of multiple-phase competition, and confirm that a scaling collapse is also seen in semiclassical simulations of a microscopic model of Yb 2 Ti 2 O 7 . These results suggest that dynamical scaling may be general to systems with competing ground states.
Dynamically scaled, free-flying models are used by the National Aeronautics and Space Administration (NASA) to study the stalling and spinning characteristics of civil and military airplane configurations. Such tests have been conducted for many different designs, and it has been possible to correlate the results predicted by the model tests with flight test results obtained in the investigations. The present paper describes four of the dynamic model testing techniques used at the NASA Langley Research Center, including the scaling laws used in the construction of models and in the interpretation of results. Predictions of stall/spin behavior based on model results have generally been very accurate, and the model tests are regarded as an invaluable precursor to full-scale flight tests. However, aerodynamic scale effects between some models and full-scale airplanes due to differences in test values of Reynolds number have resulted in erroneous predictions for a few configurations. A discussion of these effects is provided, together with the approach used to modify the model so that its behavior more closely matches that of the airplane. Finally, two typical applications of the techniques to the X-29A research airplane and several general aviation research airplanes are presented to illustrate the type of information provided by the tests.
Dynamically scaled, free-flying models are used by the National Aeronautics and Space Administration (NASA) to study the stalling and spinning characteristics of civil and military airplane configurations. Such tests have been conducted for many different designs, and it has been possible to correlate the results predicted by the model tests with flight test results obtained in the investigations. The present paper describes four of the dynamic model testing techniques used at the NASA Langley Research Center, including the scaling laws used in the construction of models and in the interpretation of results. Predictions of stall/spin behavior based on model results have generally been very accurate, and the model tests are regarded as an invaluable precursor to full-scale flight tests. However, aerodynamic scale effects between some models and full-scale airplanes due to differences in test values of Reynolds number have resulted in erroneous predictions for a few configurations. A discussion of these effects is provided, together with the approach used to modify the model so that its behavior more closely matches that of the airplane. Finally, two typical applications of the techniques to the X-29A research airplane and several general aviation research airplanes are presented to illustrate the type of information provided by the tests.
A single column model with parameterized large-scale (LS) dynamics is used to better understand the response of steady-state tropical precipitation to relative sea surface temperature under various representations of radiation, convection, and circulation. The large-scale dynamics are parametrized via the weak temperature gradient (WTG), damped gravity wave (DGW), and spectral weak temperature gradient (Spectral WTG) method in NCAR's Single Column Atmosphere Model (SCAM6). Radiative cooling is either specified or interactive, and the convective parameterization is run using two different values of a parameter that controls the degree of convective inhibition. Results are interpreted in the context of the Global Atmospheric System Studies -Weak Temperature Gradient (GASS-WTG) Intercomparison project. Using the same parameter settings and simulation configuration as in the GASS-WTG Intercomparison project, SCAM6 under the WTG and DGW methods produces erratic results, suggestive of numerical instability. However, when key parameters are changed to weaken the large-scale circulation's damping of tropospheric temperature variations, SCAM6 performs comparably to single column models in the GASS-WTG Intercomparison project. The Spectral WTG method is less sensitive to changes in convection and radiation than are the other two methods, performing qualitatively similarly across all configurations considered. Under all three methods, circulation strength, represented in 1D by grid-scale vertical velocity, is decreased when barriers to convection are reduced. This effect is most extreme under specified radiative cooling, and is shown to come from increased static stability in the column's reference radiative-convective equilibrium profile. This argument can be extended to interactive radiation cases as well, though perhaps less conclusively.