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Contains python scripts used to process inelastic neutron scattering data on the spin dynamics in MnBi4Te7 at various temperatures. The nxs files are the complete data sets , the txt files contain data slices used for publication.
Molecular dynamics (MD) is one of the most widely used techniques in computational materials science. By providing fully resolved trajectories, it allows for a natural description of static, thermodynamic, and kinetic properties. A major hurdle that has hampered the use of MD is the fact that the timescales that can be directly simulated are very limited, even when using massively parallel computers. We compare two time-parallelization approaches, parallel replica dynamics (ParRep) and parallel trajectory splicing (ParSplice), that were specifically designed to address this issue for rare event systems by leveraging parallel computing resources. Using simulations of the relaxation of small disordered platinum nanoparticles, a comparative performance analysis of the two methods is presented. Finally, the results show that ParSplice can significantly outperform ParRep in the common case where the trajectory remains trapped for a long time within a region of configuration space but makes rapid structural transitions within this region.
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The goal of this research was to apply fractional and non-linear analysis techniques in order to develop a more complete characterization of climate change and variability for the oceanic, sea ice and atmospheric components of the Earth System. This research applied two measures of dynamical characteristics of time series, the R/S method of calculating the Hurst exponent and Renyi entropy, to observational and modeled climate data in order to evaluate how well climate models capture the long-term dynamics evident in observations. Fractional diffusion analysis was applied to ARGO ocean buoy data to quantify ocean transport. Self organized maps were applied to North Pacific sea level pressure and analyzed in ways to improve seasonal predictability for Alaska fire weather. This body of research shows that these methods can be used to evaluate climate models and shed light on climate mechanisms (i.e., understanding why something happens). With further research, these methods show promise for improving seasonal to longer time scale forecasts of climate.
This report summarizes the result of the LDRD Exploratory Express project 211666-01, titled "Coupled Magnetic Spin Dynamics and Molecular Dynamics in a Massively Parallel Framework".
Hydrologic exchange flows (HEFs) have environmental significance in riverine ecosystems. Key river channel factors that influence the spatial and temporal variations of HEFs include river stage, riverbed morphology, and riverbed hydraulic conductivity. However, their impacts on HEFs were often evaluated independently or on small scales. In this study, we numerically evaluated the combined interactions of these factors on HEFs using a high-performance simulator, PFLOTRAN, for subsurface flow and transport. The model covers 51 square kilometers of a selected river corridor with large sinuosity along the Hanford Reach of the Columbia River in Washington, US. Three years of spatially distributed hourly river stages were applied to the riverbed. Compared to the simulation when riverbed heterogeneity is not ignored, the simulation using homogeneous riverbed conductivity underestimated HEFs, especially upwelling from lateral features, and overestimated the mean residence times derived from particle tracking. To derive a surrogate model for the river corridor, we amended the widely used transient storage model (TSM) for riverine solute study at reach scale with reactions. By treating the whole river corridor as a batch reactor, the temporal changes in the exchange rate coefficient for the TSM were derived from the dynamic residence time estimated from the hourly PFLOTRAN results. The TSM results were evaluated against the effective concentrations in the hyporheic zone calculated from the PFLOTRAN simulations. Our results show that there is potential to parameterize surrogate models such as TSM amended with biogeochemical reactions while incorporating small-scale process understandings and the signature of time-varying streamflow to advance the mechanistic understanding of river corridor processes at reach to watershed scales. However, the assumption of a well-mixed storage zone for TSM should be revisited when redox-sensitive reactions in the storage zones play important roles in river corridor functioning.
We present new spatially resolved astrometry and photometry from the Gemini Planet Imager of the inner binary of the young multiple star system V343 Normae, which is a member of the β Pictoris (β Pic) moving group. V343 Normae comprises a K0 and mid-M star in a ∼4.5 year orbit (AaAb) and a wide 10″ M5 companion (B). By combining these data with archival astrometry and radial velocities we fit the orbit and measure individual masses for both components of M{sub Aa}=1.10±0.10 M{sub ⊙} and M{sub Ab}=0.290±0.018 M{sub ⊙}. Comparing to theoretical isochrones, we find good agreement for the measured masses and JHK band magnitudes of the two components consistent with the age of the β Pic moving group. We derive a model-dependent age for the β Pic moving group of 26 ± 3 Myr by combining our results for V343 Normae with literature measurements for GJ 3305, which is another group member with resolved binary components and dynamical masses.
We present and analyze a rich data set including Subaru/SuprimeCam, HST/Advanced Camera for Surveys and Wide Field Camera 3, Keck/DEIMOS, Chandra/ACIS-I, and JVLA/C and D array for the merging cluster of galaxies ZwCl 0008.8+5215. With a joint Subaru+HST weak gravitational lensing analysis, we identify two dominant subclusters and estimate the masses to be M{sub 200}=5.7{sub −1.8}{sup +2.8}×10{sup 14} M{sub ⊙} and 1.2{sub −0.6}{sup +1.4}×10{sup 14} M{sub ⊙}. We estimate the projected separation between the two subclusters to be 924{sub −206}{sup +243} kpc. We perform a clustering analysis of spectroscopically confirmed cluster member galaxies and estimate the line-of-sight velocity difference between the two subclusters to be 92±164 km s{sup −1}. We further motivate, discuss, and analyze the merger scenario through an analysis of the 42 ks of Chandra/ACIS-I and JVLA/C and D array polarization data. The X-ray surface brightness profile reveals a merging gas-core reminiscent of the Bullet Cluster. The global X-ray luminosity in the 0.5–7.0 keV band is 1.7±0.1×10{sup 44} erg s{sup −1} and the global X-ray temperature is 4.90 ± 0.13 keV. The radio relics are polarized up to 40%, and along with the masses, velocities, and positions of the two subclusters, we input these quantities into a Monte Carlo dynamical analysis and estimate the merger velocity at pericenter to be 1800{sub −300}{sup +400} km s{sup −1}. This is a lower-mass version of the Bullet Cluster and therefore may prove useful in testing alternative models of dark matter (DM). We do not find significant offsets between DM and galaxies, but the uncertainties are large with the current lensing data. Furthermore, in the east, the BCG is offset from other luminous cluster galaxies, which poses a puzzle for defining DM–galaxy offsets.
We use three-dimensional radiation magnetohydrodynamic simulations to study the effects of magnetic fields on the energy transport and structure of radiation pressure–dominated main sequence massive star envelopes at the region of the iron opacity peak. We focus on the regime where the local thermal timescale is shorter than the dynamical timescale, corresponding to inefficient convective energy transport. We begin with initially weak magnetic fields relative to the thermal pressure, from 100 to 1000 G in differing geometries. The unstable density inversion amplifies the magnetic field, increasing the magnetic energy density to values close to equipartition with the turbulent kinetic energy density. By providing pressure support, the magnetic field's presence significantly increases the density fluctuations in the turbulent envelope, thereby enhancing the radiative energy transport by allowing photons to diffuse out through low-density regions. Magnetic buoyancy brings small-scale magnetic fields to the photosphere and increases the vertical energy transport, with the energy advection velocity proportional to the Alfvén velocity, although in all cases we study, photon diffusion still dominates the energy transport. The increased radiative and advective energy transport causes the stellar envelope to shrink by several scale heights. We also find larger turbulent velocity fluctuations compared with the purely hydrodynamic case, reaching $\approx 100\,{{\rm{km}}{\rm{s}}}^{-1}$ at the stellar photosphere. The photosphere also shows vertical oscillations with similar averaged velocities and periods of a few hours. The increased turbulent velocity and oscillations will have strong impacts on the line broadening and periodic signals in massive stars.
Dependency analysis in human reliability analysis (HRA) is a method of adjusting the failure probability of a given action by considering the impact of the action preceding it. It plays a role in reasonably accounting for human actions in the context of probabilistic safety assessments (PSAs), preventing PSA results from being estimated too optimistically based on the HRA results. Nevertheless, the existing dependency methods present a couple of challenges in that the quantification approaches rarely explain the adjustment of human error probabilities (HEPs). For this reason, the authors’ previous research has pointed out challenges of the existing dependency approaches and conceptually, theoretically proposed a performance shaping factor (PSF)-based dynamic dependency analysis method for HRA in order to complement the existing dependency methods. The current paper explores the latest version of the method and guidance for applying it to a steam generator tube rupture (SGTR) scenario.
Dimensional analysis, and similitude and scaling laws for structural dynamics model testing of spacecraft dynamic stability
An overview is presented of the dynamic environmental test program for the Viking 1975 Orbiter Development Test Model/Lander Dynamic Test Model. The spacecraft and its systems are described, and the test methods are discussed in detail. Tests described include the modal survey, the forced-vibration test, and the acoustic test. It is shown that the modal testing provided a good correlation with analytical predictions and that all the major structural loads were found to be below 50 Hz.
The Fluid Dynamics Panel of AGARD arranged a Symposium on Applications of Computational Fluid Dynamics in Aeronautics, on 7 to 10 April 1986 in Aix-en-Provence, France. The purpose of the Symposium was to provide an assessment of the status of CFD in aerodynamic design and analysis, with an emphasis on emerging applications of advanced computational techniques to complex configurations. Sessions were devoted specifically to grid generation, methods for inviscid flows, calculations of viscous-inviscid interactions, and methods for solving the Navier-Stokes equations. The 31 papers presented at the meeting are published in AGARD Conference Proceedings CP-412 and are listed in the Appendix of this report. A brief synopsis of each paper and some general conclusions and recommendations are given.
Dynamical systems theory has been used to study nonlinear aircraft dynamics. A six degree of freedom model that neglects gravity has been analyzed. The aerodynamic model, supplied by NASA, is for a generic swept wing fighter and includes nonlinearities as functions of the angle of attack. A continuation method was used to calculate the steady states of the aircraft, and bifurcations of these steady states, as functions of the control deflections. Bifurcations were used to predict jump phenomena and the onset of periodic motion for roll coupling instabilities and high angle of attack maneuvers. The predictions were verified with numerical simulations.
This paper discusses results obtained during the period between August 1981, and February 1983, by the instruments aboard the Dynamic Explorer-2 (DE-2) mission, with emphasis placed on the data obtained through the direct measurements of thermospheric vector neutral winds and ion drifts. The DE-2 instrumentation used to obtain the vector neutral-wind observations is described together with the information obtained on the dynamics of the thermosphere. Special consideration is given to the theoretical model development and the ongoing data-theory comparative studies. The progress made during the first five years of the DE mission is summarized.
High-angle-of-attack flight dynamics of the X-29 configuration were studied using dynamic model test techniques. These tests identified phenomena including wing rock, spins, and tumbling which dominate the high-alpha behavior of the configuration and define its usable flight envelope. Results of these tests have been used to design flight control concepts to minimize adverse behavior. Planned high-angle-of-attack flight tests of the X-29 airplane will provide an opportunity to validate the model predictions.
The linearization and simplification of a nonlinear, literal model for flexible aircraft is highlighted. Areas of model fidelity that are critical if the model is to be used for control system synthesis are developed and several simplification techniques that can deliver the necessary model fidelity are discussed. These techniques include both numerical and analytical approaches. An analytical approach, based on first-order sensitivity theory is shown to lead not only to excellent numerical results, but also to closed-form analytical expressions for key system dynamic properties such as the pole/zero factors of the vehicle transfer-function matrix. The analytical results are expressed in terms of vehicle mass properties, vibrational characteristics, and rigid-body and aeroelastic stability derivatives, thus leading to the underlying causes for critical dynamic characteristics.
Dynamical systems theory has been used to study the nonlinear dynamics of the F-14. An eight degree of freedom model that does not include the control system present in operational F-14s has been analyzed. The aerodynamic model, supplied by NASA, includes nonlinearities as functions of the angles of attack and sideslip, the rotation rate, and the elevator deflection. A continuation method has been used to calculate the steady states of the F-14 as continuous functions of the control surface deflections. Bifurcations of these steady states have been used to predict the onset of wing rock, spiral divergence, and jump phenomena which cause the aircraft to enter a spin. A simple feedback control system was designed to eliminate the wing rock and spiral divergence instabilities. The predictions were verified with numerical simulations.