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Distributed computer system, which allows great deal of interaction within totally synchronized environment, comprises test system that presents systematic approach for identifying test configurations for large complex systems such as submarines, aircraft, or air traffic controllers.
Gamow–Teller transitions in the beta decay of the {sup 132}Sn neutron-rich nucleus was described microscopically. The coupling of one- and two-phonon components of the wave functions was taken into account on the basis of Skyrme interactions featuring various contributions of the tensor component. A separable approximation of the particle—hole interaction made it possible tohole interaction perform calculations in a large configuration space. It was shown that an increase in the strength of the neutron—proton tensor interaction led to an increase in the energy of Gamow—Teller transitions. In addition, a decrease in the {sup 132}Sn half-life with respect to beta decay was obtained.
Magnetic clouds form a subset of interplanetary ejecta with well-defined magnetic and thermodynamic properties. Observationally, it is well established that magnetic clouds expand as they propagate antisunward. The aim of this paper is to compare and contrast two models which have been proposed for the global magnetic field line topology of magnetic clouds: a magnetic flux tube geometry, on the one hand, and a spheromak geometry (including possible higher multiples), on the other. Traditionally, the magnetic structure of magnetic clouds has been modeled by force-free configurations. In a first step, we therefore analyze the ability of static force-free models to account for the asymmetries observed in the magnetic field profiles of magnetic clouds. For a cylindrical flux tube the magnetic field remains symmetric about closest approach to the magnetic axis on all spacecraft orbits intersecting it, whereas in a spheromak geometry one can have asymmetries in the magnetic field signatures along some spacecraft trajectories. The duration of typical magnetic cloud encounters at 1 AU (1 to 2 days) is comparable to their travel time from the Sun to 1 AU and thus magnetic clouds should be treated as strongly nonstationary objects. In a second step, therefore, we abandon the static approach and model magnetic clouds as self-similarly evolving MHD configurations. In our theory, the interaction of the expanding magnetic cloud with the ambient plasma is taken into account by a drag force proportional to the density and the velocity of expansion. Solving rigorously the full set of MHD equations, we demonstrate that the asymmetry in the magnetic signature may arise solely as a result of expansion. Using asymptotic solutions of the MHD equations, we least squares fit both theoretical models to interplanetary data. We find that while the central part of the magnetic cloud is adequately described by both models, the 'edges' of the cloud data are modeled better by the magnetic flux tube. Further comparisons of the two models necessarily involve thermodynamic properties, since real magnetic configurations are never exactly force-free and gas pressure plays an essential role. We consider a polytropic gas. Our theoretical analysis shows that the self-similar expansion of a magnetic flux tube requires the polytropic index gamma to be less than unity. For the spheromak, however, self-similar, radially expanding solutions are known only for gamma equal to 4/3. This difference, therefore, yields a good way of distinguishing between the two geometries. It has been shown recently that the polytropic relationship is applicable to magnetic clouds and that the corresponding polytropic index is approximately 0.5. This observational result is consistent with the self-similar model of the magnetic flux rope but is in conflict with the self-similar spheromak model.
New relativistic semiclassical conditions and leptonic decay widths are obtained within quantum chromodynamics for nonsingular confining quasipotentials and funnel-type potentials (instantoninteraction approximation). The respective analysis is performed within a fully covariant quasipotential approach in quantum field theory. This approach is formulated in the relativistic configuration representation for the case of interaction between two relativistic spinless particles of arbitrary mass.
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This dataset was generated using an iterative active-learning strategy implemented in the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials for aqueous ZnCl2 solutions. Each active-learning cycle consisted of three stages: training, exploration, and labeling. The initial training set combined configurations generated in this work from enhanced-sampling ab initio molecular dynamics simulations with configurations from a previously reported neural-network-potential study of aqueous ZnCl2. The enhanced-sampling ab initio molecular dynamics simulations involved Zn–Cl separation and the chloride coordination number around Zn²? as collective variables. These configurations served as the seed dataset. Subsequent active-learning cycles expanded the training set by identifying and labeling configurations that were poorly represented by the current models, thereby improving coverage of ion-association states and changes in local coordination and charge-state environments relevant to the solution free-energy landscape. For all selected configurations, single-point calculations of the total energies and atomic forces were performed within density functional theory using the CP2K Quickstep module. Reference calculations employed the revPBE-D3 and r2SCAN exchange-correlation functionals. Motivated by recent work on aqueous Zn²?, the main revPBE calculations omitted D3 dispersion contributions involving Zn²?, while retaining the D3 correction for water and chloride. For comparison, fully dispersion-corrected revPBE-D3 reference calculations were also performed, with D3 applied to all species, including Zn²?. Valence electrons were treated explicitly, while core electrons were represented using norm-conserving Goedecker–Teter–Hutter pseudopotentials. The wave functions were expanded using the mixed Gaussian-and-plane-wave scheme with TZV2P-MOLOPT basis sets for all elements and a 600 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent-field convergence was accelerated using the orbital-transformation and Direct Inversion in the Iterative Subspace algorithms, with a convergence threshold of 10?6. All single-point calculations were performed in periodic orthorhombic cells. The CELL_REF keyword in CP2K was used to define a fixed reference cell with a box length of 25 Å. This treatment ensured a consistent reference for configurations extracted from NpT trajectories with fluctuating cell dimensions. The resulting DFT energies and atomic forces constitute the ground-truth labels used to train the MLIPs. The resulting MLIP was trained for aqueous ZnCl2 solutions spanning concentrations from 0 to 30 molal and a broad pH range, from strongly acidic to strongly basic conditions. Representative examples of configurations included in the MLIP training dataset are provided below. These include 1) Representative configurations from the dataset labeled at the revPBE-D3 level, with D3 dispersion interactions involving Zn2+ excluded (revPBE-wo-D3). 2) Representative configurations from the dataset labeled at the fully dispersion-corrected revPBE-D3 level, with D3 interactions applied to all species, including Zn2+ (revPBE-D3). 3) Representative configurations from the dataset labeled at the r2SCAN level of theory (r2SCAN).
The interactions of a He atom with a heavier atom are examined for 26 different elements, which are consecutive members selected from three rows (Li - Ne, Na - Ar, and K,Ca, Ga - Kr) and column 12 (Zn,Cd) of the periodic table. Interaction energies are determined wing high-quality ab initio calculations for the states of the molecule that would be formed from each pair of atoms in their ground states. Potential energies are tabulated for a broad range of Interatomic separation distances. The results show, for example, that the energy of an alkali interaction at small separations is nearly the same as that of a rare-gas interaction with the same electron configuration for the dosed shells. Furthermore, the repulsive-range parameter for this region is very short compared to its length for the repulsion dominated by the alkali-valence electron at large separations (beyond about 3-4 a(sub 0)). The potential energies in the region of the van der Waals minimum agree well with the most accurate results available. The ab initio energies are applied to calculate scattering cross sections and obtain the collision integrals that are needed to determine transport properties to second order. The theoretical values of Li-He total scattering cross sections and the rare-gas atom-He transport properties agree well (to within about 1%) with the corresponding measured data. Effective potential energies are constructed from the ab initio energies; the results have been shown to reproduce known transport data and can be readily applied to predict unknown transport properties for like-atom interactions.
Many configurations proposed for the next generation of aircraft rely on the wing or other aircraft surfaces to shield the engine noise from the observers on the ground. However, the ability to predict the shielding effect and any new noise sources that arise from the high-speed jet flow interacting with a hard surface is currently limited. Furthermore, quality experimental data from jets with surfaces nearby suitable for developing and validating noise prediction methods are usually tied to a particular vehicle concept and, therefore, very complicated. The Jet/Surface Interaction Test was intended to supply a high quality set of data covering a wide range of surface geometries and positions and jet flows to researchers developing aircraft noise prediction tools. During phase one, the goal was to measure the noise of a jet near a simple planar surface while varying the surface length and location in order to: (1) validate noise prediction schemes when the surface is acting only as a jet noise shield and when the jet/surface interaction is creating additional noise, and (2) determine regions of interest for more detailed tests in phase two. To meet these phase one objectives, a flat plate was mounted on a two-axis traverse in two distinct configurations: (1) as a shield between the jet and the observer (microphone array) and (2) as a reflecting surface on the opposite side of the jet from the observer.
The noise source caused by the interaction of the rotor tip flow irregularities (vortices and velocity defects) with the downstream stator vanes was studied. Fan flow was removed behind a 0.508 meter (20 in.) diameter model turbofan through an outer wall slot between the rotor and stator. Noise measurements were made with far-field microphones positioned in an arc about the fan inlet and with a pressure transducer in the duct behind the stator. Little tone noise reduction was observed in the forward arc during flow removal; possibly because the rotor-stator interaction noise did not propagate upstream through the rotor. Noise reductions were maded in the duct behind the stator and the largest decrease occurred with the first increment of flow removal. This result indicates that the rotor tip flow irregularity-stator interaction is as important a noise producing mechanism as the normally considered rotor wake-stator interaction.
The assembly mechanism of hierarchical materials controlled by the choice of solvent and presence of spectator ions. In this paper, we use enhanced sampling molecular dynamics methods to investigate these effects on the configurational landscape of metal-linker interactions in the early stages of synthesis, using MIL-101(Cr) as a prototypical example. Microsecond-long well-tempered metadynamics (WTmetaD) uncover a complex free energy structural landscape, with distinct crystal (C) and non-crystal (NC) like configurations and their equilibrium population. In presence of ions (Na+, F-), we observe a complex effect on the crystallinity of secondary building units (SBUs), by encouraging/suppressing salt bridges between C configurations and consequently controlling the percentage of defects. Solvent effects are assessed by introducing N, N-dimethylformamide (DMF) instead of water, where SBU adducts are appreciably more stable and compact. These results shed light on how solvent nature and ionic strength impact the free energy of nucleation phenomena that ultimately control materials synthesis and defect formation. The work described in this publication was supported by the US Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences and performed at Pacific Northwest National Laboratory (PNNL). The authors acknowledge the use of the UCL Legion High Performance Computing Facility (Legion @ UCL) and associated support services in the completion of this work. This research used resources of the National Energy Research Scientific Computing Centre, a DOE Office of Science User Facility. Battelle operates PNNL for DOE under Contract DE-AC05-76RL01830.
Our research on postural control and human-environment interactions provides an appropriate scientific foundation for understanding the skill of mass handling by astronauts in weightless conditions (e.g., extravehicular activity or EVA). We conducted an investigation of such skills in NASA's principal mass-handling simulator, the Precision Air-Bearing Floor, at the Johnson Space Center. We have studied skilled movement-body within a multidisciplinary context that draws on concepts and methods from biological and behavioral sciences (e.g., psychology, kinesiology and neurophysiology) as well as bioengineering. Our multidisciplinary research has led to the development of measures, for manual interactions between individuals and the substantial environment, that plausibly are observable by human sensory systems. We consider these methods to be the most important general contribution of our EVA investigation. We describe our perspective as control theoretic because it draws more on fundamental concepts about control systems in engineering than it does on working constructs from the subdisciplines of biomechanics and motor control in the bio-behavioral sciences. At the same time, we have attempted to identify the theoretical underpinnings of control-systems engineering that are most relevant to control by human beings. We believe that these underpinnings are implicit in the assumptions that cut across diverse methods in control-systems engineering, especially the various methods associated with "nonlinear control", "fuzzy control," and "adaptive control" in engineering. Our methods are based on these theoretical foundations rather than on the mathematical formalisms that are associated with particular methods in control-systems engineering. The most important aspects of the human-environment interaction in our investigation of mass handling are the functional consequences that body configuration and stability have for the pick up of information or the achievement of overt goals. It follows that an essential characteristic of postural behavior is the effective maintenance of the orientation and stability of the sensory and motor "platforms" (e.g., head or shoulders) over variations in the human, the environment and the task. This general skill suggests that individuals should be sensitive to the functional consequences of body configuration and stability. In other words, individuals should perceive the relation between configuration, stability, and performance so that they can adaptively control their interaction with the surroundings. Human-environment interactions constitute robust systems in that individuals can maintain the stability of such interactions over uncertainty about and variations in the dynamics of the interaction. Robust interactions allow individuals to adopt orientations and configurations that are not optimal with respect to purely energetic criteria. Individuals can tolerate variation in postural states, and such variation can serve an important function in adaptive systems. Postural variability generates stimulation which is "textured" by the dynamics of the human-environment system. The texture or structure in stimulation provides information about variation in dynamics, and such information can be sufficient to guide adaption in control strategies. Our method were designed to measure informative patterns of movement variability.
Transition metal dichalcogenides are an interesting class of low dimensional materials in mono- and few-layer form with diverse applications in valleytronic, optoelectronic and quantum devices. Therefore, the general nature of the band-edges and the interplay with valley dynamics is important from a fundamental and technological standpoint. Bilayers introduce interlayer coupling effects which can have a significant impact on the valley polarization. The combined effect of spin–orbit and interlayer coupling can strongly modify the band structure, phonon interactions and overall carrier dynamics in the material. In this paper we use first-principles calculations of electron–electron and electron–phonon interactions to investigate bilayer MoS 2 and WSe 2 in both the AA' and AB stacking configurations. We find that in addition to spin–orbit coupling, interlayer interactions present in the two configurations significantly alter the near-band-edge dynamics. Scattering lifetimes and dynamic behavior are highly material-dependent, despite the similarities and typical trends in TMDCs. Additionally, we capture significant differences in dynamics for the AA' and AB stacking configurations, with lifetime values differing by up to an order of magnitude between them for MoS 2 . Further, we evaluate the valley polarization times and find that maximum lifetimes at room temperature are of the scale of 1 picosecond for WSe 2 in the AB orientation. These results present a pathway to understanding complex heterostructure configurations and ‘magic angle’ physics in TMDCs.
A coherent theory for the superconductivity of both conventional and unconventional superconductors is currently lacking. Here we show that superconductivity arises from the formation of a symmetry-broken superconducting configuration (SCC) due to atomic perturbation of the normal conducting configuration (NCC). This electron–phonon interaction creates straight one-dimensional tunnels (SODTs) for charge density of electrons and/or holes as revealed by the calculations based on density functional theory (DFT). The SODTs act as resistance-free superhighways and are correlated to the Cooper pairs in the Bardeen–Cooper–Schrieffer (BCS) theory. The formation of SODTs implies that the electron–phonon interaction in the BCS theory can be represented by the difference in charge densities between SCC and NCC predicted by DFT. The present work highlights that in conventional superconductors, SODTs are embedded within the bulk materials and are easily destroyed by phonon vibrations, resulting in a low critical superconducting temperature (T C ). Conversely, in unconventional superconductors such as YBa 2 Cu 3 O 7 (YBCO 7 ), SODTs are protected by a layered pontoon structure with very weak bonding to the bulk materials, maintaining SODTs’ stability at higher temperatures and leading to a much higher T C . The present approach is validated for 14 conventional superconductors of 18 pure elements and MgB 2 examined in this work, including the presently predicted superconductivity in Cu, Ag, Au, Sb, Bi, and MgB 2 at 0 K and 0 GPa, and one unconventional superconductor of YBCO 7 . Our discovery indicates that DFT can be a practical tool for predicting superconductors, enabling a systematic search for new superconducting materials in the future.
NASA's Concept Development Group assessment methodology for the on-orbit rigid body controllability characteristics of each generic configuration proposed for the manned space station is presented; the preliminary results obtained represent the first step in the analysis of these eight configurations. Analytical computer models of each configuration were developed by means of the Interactive Design Evaluation of Advanced Spacecraft CAD system, which created three-dimensional geometry models of each configuration to establish dimensional requirements for module connectivity, payload accommodation, and Space Shuttle berthing; mass, center-of-gravity, inertia, and aerodynamic drag areas were then derived. Attention was also given to the preferred flight attitude of each station concept.
Airbreathing launch vehicles continue to be a subject of great interest in the space access community. In particular, horizontal takeoff and horizontal landing vehicles are attractive with their airplane-like benefits and flexibility for future space launch requirements. The most promising of these concepts involve airframe integrated propulsion systems, in which the external undersurface of the vehicle forms part of the propulsion flowpath. Combining of airframe and engine functions in this manner involves all of the design disciplines interacting at once. Design and optimization of these configurations is a most difficult activity, requiring a multi-discipline process to analytically resolve the numerous interactions among the design variables. This paper describes the design and optimization of one configuration in this vehicle class, a lifting body with turbine-based low-speed propulsion. The integration of propulsion and airframe, both from an aero-propulsive and mechanical perspective are addressed. This paper primarily focuses on the design details of the preferred configuration and the analyses performed to assess its performance. The integration of both low-speed and high-speed propulsion is covered. Structural and mechanical designs are described along with materials and technologies used. Propellant and systems packaging are shown and the mission-sized vehicle weights are disclosed.
Airbreathing launch vehicles continue to be a subject of great interest in the space access community. In particular, horizontal takeoff and horizontal landing vehicles are attractive with their airplane-like benefits and flexibility for future space launch requirements. The most promising of these concepts involve airframe integrated propulsion systems, in which the external undersurface of the vehicle forms part of the propulsion flowpath. Combining of airframe and engine functions in this manner involves all of the design disciplines interacting at once. Design and optimization of these configurations is a most difficult activity, requiring a multi-discipline process to analytically resolve the numerous interactions among the design variables. This paper describes the design and optimization of one configuration in this vehicle class, a lifting body with turbine-based low-speed propulsion. The integration of propulsion and airframe, both from an aero-propulsive and mechanical perspective are addressed. This paper primarily focuses on the design details of the preferred configuration and the analyses performed to assess its performance. The integration of both low-speed and high-speed propulsion is covered. Structural and mechanical designs are described along with materials and technologies used. Propellant and systems packaging are shown and the mission-sized vehicle weights are disclosed.
This report documents very accurately the configuration and the materials for experiments with three unmoderated, unreflected, interacting, coaxial, highly enriched, 15-in.-diameter, uranium metal cylinders performed at the Oak Ridge Critical Experiments Facility (ORCEF) in August and September 1963 and described in logbook E 20 associated with experiments in the East cell of ORCEF. The information is sufficiently accurate that it can be used as the basis for preparation of benchmarks for International Criticality Safety Benchmark Program (ICSBEP) at Idaho National laboratory. The thickness of the cylinders was varied and the spacing between them was adjusted to achieve a delayed critical configuration. The average enrichment of the uranium metal was 94.14 wt. % 235U. The heights of the 15-in.-diameter, equal-height cylinders varied from 1-1/8to 2.00 inches. All interacting cylinders were assembled coaxially with their flat faces parallel and their combined masses varied between 182 and 325 kilograms of HEU metal. The data from these six experiments described are judged to be acceptable for use as criticality safety benchmark experiments for the ICSBEP and EURATOM’s Nuclear Energy Agency nuclear criticality safety benchmark program, once the uncertainty analysis is completed. Based on previous ICSBEP benchmarks with this enriched uranium metal at ORCEF, it is expected that the uncertainties in measured keff could be as low as ± 0.0002.