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At least 271 records · Page 15

Separability of H 2 O molecular potential surfaces in hyperspherical coordinates via adiabatic approximation

An adiabatic scheme for separation of the three-dimensional (3D) nuclear dynamics on the ground electronic Born-Oppenheimer potential energy surface of an H 2 O molecule in hyperspherical coordinates is presented. It is found that the three vibrational modes are weakly coupled and the 3D vibrational wave function can be approximated as a product of three separable functions: one represented by the hyperradius and two by the two hyperangles individually. Additionally, this framework is then used for investigation of the formation and the role of a saddlelike barrier arising in the two hyperspherical angles that is to moderate the OH + H dissociation process. In order to test the validity of the framework, vibrational states with energies up to 19 500 cm -1 are constructed under the assumptions of adiabaticity and separability and compared to full three-dimensional high-precision numerical calculations yielding remarkable correspondence. As a result we present a simple construction scheme for separated molecular vibration states as the first step towards theoretical investigation of laser-driven molecular dynamics of triatomic molecules.

74 ATOMIC AND MOLECULAR PHYSICS↗

On the General Definition of the Production of Entropy in Open Markov Quantum Systems

We discuss the question of the general definition of the production of entropy per unit time for a quantum system governed by the Lindblad equation. The difficulty is as follows: in order to determine the total production of entropy, one must know the entropy flow from the system into the environment. This requires additional information on the environment and on its interaction with the system. The Lindblad equation for the reduced density matrix of the system does not contain such information. Therefore, the following question arises: What minimum additional information about the environment must be added to the Lindblad equation in order to find the flow of entropy into the environment and the total production of entropy? To answer this question, we use the concept of a complementary quantum channel known from the the quantum information theory. We also prove a theorem on the nonnegativity of production of entropy, and, under certain assumptions, the adiabatic and nonadiabatic contribution to it.

97 MATHEMATICS AND COMPUTING↗

Uncertainty Quantification for Multiphase Computational Fluid Dynamics Closure Relations with a Physics-Informed Bayesian Approach

Multiphase Computational Fluid Dynamics (MCFD) based on the two-fluid model is considered a promising tool to model complex two-phase flow systems. MCFD simulation can predict local flow features without resolving interfacial information. As a result, the MCFD solver relies on closure relations to describe the interaction between the two phases. Those empirical or semi-mechanistic closure relations constitute a major source of uncertainty for MCFD predictions. In this paper, we leverage a physics-informed uncertainty quantification (UQ) approach to inversely quantify the closure relations’ model form uncertainty in a physically consistent manner. This proposed approach considers the model form uncertainty terms as stochastic fields that are additive to the closure relation outputs. Combining dimensionality reduction and Gaussian processes, the posterior distribution of the stochastic fields can be effectively quantified within the Bayesian framework with the support of experimental measurements. As this UQ approach is fully integrated into the MCFD solving process, the physical constraints of the system can be naturally preserved in the UQ results. Here, in a case study of adiabatic bubbly flow, we demonstrate that this UQ approach can quantify the model form uncertainty of the MCFD interfacial force closure relations, thus effectively improving the simulation results with relatively sparse data support.

42 ENGINEERING↗

Decay of the de Sitter vacuum

The decay rate of the Bunch-Davies state of a massive scalar field in the expanding flat spatial sections of de Sitter space is determined by an analysis of the particle pair creation process in real time. The Feynman definition of particle and antiparticle Fourier mode solutions of the scalar wave equation and their adiabatic phase analytically continued to the complexified time domain show conclusively that the Bunch-Davies state is not the vacuum state at late times. The closely analogous creation of charged particle pairs in a uniform electric field is reviewed and Schwinger’s result for the vacuum decay rate is recovered by this same real time analysis. The vacuum decay rate in each case is also calculated by switching the background field on adiabatically, allowing it to act for a very long time, and then adiabatically switching it off again. In both the uniform electric field and de Sitter cases, the particles created while the field is switched on are verified to be real, in the sense that they persist in the final asymptotic flat zero-field region. In the de Sitter case, there is an interesting residual dependence of the rate on how the de Sitter phase is ended, indicating a greater sensitivity to spatial boundary conditions. The electric current of the created particles in the E-field case and their energy density and pressure in the de Sitter case are also computed, and the magnitude of their backreaction effects on the background field estimated. Finally, possible consequences of the Hubble scale instability of the de Sitter vacuum for cosmology, vacuum dark energy, and the cosmological “constant” problem are discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Analytical Investigation of the Role of Lateral Mixing in the Evolution of Nonprecipitating Cumulus. Part I: Developing Clouds

Evolution of nonprecipitating cumulus clouds (Cu) at the developing stage under the influence of lateral entrainment and mixing is studied analytically using a minimalistic analytical model. We present a model of an ascending cloud volume (a model of developing Cu) whose structure is determined by the processes of droplet diffusion growth/evaporation and entrainment mixing in the horizontal direction. Spatial and time changes of liquid water content, the adiabatic fraction, droplet concentration, and the mean volume droplet radius are calculated. It is shown that the existence of a nondiluted core in a growing cumulus cloud significantly depends on the cloud width and vertical velocity. While at the updraft velocity of 2 m s −1 the core of a 400-m-wide cloud becomes diluted at distances of a few hundred meters above cloud base, the core of a cloud of 1000-m width remains nondiluted at distances up to 1500 m above cloud base. The explanation of this result is simple: the increase in cloud width and the decrease in the updraft velocity increase the time during which the cloud is diluted due to mixing. Since lateral mixing synchronously decreases both the cloud water content and droplet concentration, the variation of the mean volume droplet radius is low inside the cloud. The approximate quantitative condition for cloud formation in updraft is derived. It is shown that a cloud can arise when its vertical velocity exceeds a critical value. To produce clouds, narrow turbulent plumes should ascend at higher velocity as compared to wider plumes. High humidity of the environment air is favorable for formation of clouds from plumes. The comparison of the obtained results with previously published observational data indicates a reasonable agreement. The results can be useful for parameterization purposes.

54 ENVIRONMENTAL SCIENCES↗

Post-shock temperatures in minerals

An experimental technique was developed for measuring post-shock temperatures in a wide variety of materials, including those of geophysical interest such as silicates. The technique uses an infrared radiation detector to determine the brightness temperature of samples shocked to pressures in the range 5 to approximately 30 GPa; in these experiments measurements were made in two wavelength ranges (4.5 to 5.75 microns and 7 to 14 microns). Reproducible results, with the temperatures in the two wavelength bands generally in excellent agreement, were obtained for aluminum-2024 (10.5 to 33 GPa, 125 to 260 C), stainless steel-304 (11.5 to 50 GPa, 80 to 350 C), crystalline quartz (5.0 to 21.5 GPa, 80 to 250 C), forsterite (7.5 to 28.0 GPa, approximately 30 to 160 C) and Bamble bronzite (6.0 to 26.0 GPa, approximately 30 to 225 C). It is concluded that release adiabat data should be used, wherever available, for calculations of residual temperature, and that adequate descriptions of the shock and release processes in minerals are more complex than generally assumed.

Raikes, S. A.↗

A kinetic approach to compressible turbulence

A kinetic theory of strong turbulence is developed by decomposing fluctuation of distribution function into scaled components, or ranks, to represent three transport processes: macroscopic evolution, transport property and relaxation. Closure is obtained by formulating a relaxation process for the approach of eddy diffusivity to equilibrium. The kinetic equation is solved and three transport functions of turbulence in adiabatic gas are derived: two transfer functions describe turbulent mode transfer, and a coupling function describes the build-up of kinetic energy at the expense of internal energy. The energy balance in the inertial subrange of homogeneous and isotropic turbulence in an adiabatic gas yields a k to the -3rd law, in agreement with numerical computations from one dimensional model of compressible turbulence.

Tchen, C. M.↗

The FFAG return loop for the CBETA Energy Recovery Linac

The CBETA energy recovery linac uses a single xed eld alternating gradient (FFAG) beam line to return the beam for electron beams with four energies, ranging from 42 MeV to 150 MeV. To keep the beam line compact, the ends of the return line have a small radius of curvature, but the central part of the return line is straight. These are connected by transition lines that adiabatically change from one to the other. We rst describe the design or the arc cell. We then describe how a straight cell is created to be a good match to this arc cell. We then describe the design of the transition line between them. The design process makes use of eld maps for the desired magnets. Because we switch magnet types as we move from the arc, through the transition, and into the straight, there are discrete jumps in the elds that degrade the adiabaticity of the transition, and we describe corrections to manage that.

43 PARTICLE ACCELERATORS↗

Outer Radiation Belt Dynamics During the October 2012 Storm Revisited: Rapid Inward Radial Transport From a Dynamic Outer Boundary

Earth's outer radiation belt electron flux is highly variable and can be enhanced by over an order of magnitude over timescales less than one day, as observed during the October 2012 storm. Previous studies of this storm (e.g., Reeves et al., 2013, https://doi.org/10.1126/science.1237743) have invoked local acceleration to explain this. However, here, we argue that the observations can instead be explained by fast inward radial transport. One method often invoked to distinguish between these two acceleration processes is the existence of local peaks in electron phase space density (PSD) as a function of L* at fixed first, M, and second, K, adiabatic invariants. However, this method relies on the assumption that the evolution of the PSD as a function of L* occurs over timescales slower than the satellite orbital period. Here, high spatiotemporal resolution data from the Global Positioning System (GPS) spacecraft constellation is used to show that enhancements in the PSD occur during the October 2012 storm over short timescales not resolvable by the Van Allen Probes. In addition, Geostationary Operational Environmental Satellite spacecraft data also indicate that these enhancements are consistent with relativistic electron injections. A radial diffusion model is shown to reproduce the PSD dynamics observed by the Van Allen Probes, once rapid variations at the simulation outer boundary are included, consistent with GPS data. This verifies that apparently “locally growing” peaks in PSD along high apogee satellite orbits can be produced by fast inward radial transport without requiring the action of any local acceleration processes.

99 GENERAL AND MISCELLANEOUS↗

Invigoration or Enervation of Convective Clouds by Aerosols?

Are convective clouds strengthened by the addition of aerosol particles? We present new theoretical calculations which starkly contrast previous results. Prior foundational work suggested that aerosols strongly invigorate convective cloud updrafts via changes to cold-phase processes. We show that the peak magnitude of invigoration by this mechanism is substantially reduced for cold-based storms. For warm-based storms, the updrafts are weakened, not strengthened, by aerosol-induced changes to cold-phase processes. Our calculations show that if invigoration occurs, it is driven primarily by changes to warm-phase processes and may be largest well before the storm reaches maturity. The calculations are based on a new formulation of the moist adiabatic lapse rate that accounts for freezing, supersaturation, and condensate loading. The results significantly reshape our understanding of the impact of aerosols on convective updrafts.

58 GEOSCIENCES↗

Adiabatic frequency shifting in epsilon-near-zero materials: the role of group velocity

The conversion of a photon’s frequency has long been a key application area of nonlinear optics. It has been discussed how a slow temporal variation of a material’s refractive index can lead to the adiabatic frequency shift (AFS) of a pulse spectrum. Such a rigid spectral change has relevant technological implications, for example, in ultrafast signal processing. Here, we investigate the AFS process in epsilon-near-zero (ENZ) materials and show that the frequency shift can be achieved in a shorter length if operating in the vicinity of R e { ε <#comment/> r } = 0 . We also predict that, if the refractive index is induced by an intense optical pulse, the frequency shift is more efficient for a pump at the ENZ wavelength. Remarkably, we show that these effects are a consequence of the slow propagation speed of pulses at the ENZ wavelength. Our theoretical predictions are validated by experiments obtained for the AFS of optical pulses incident upon aluminum zinc oxide thin films at ENZ. Our results indicate that transparent metal oxides operating near the ENZ point are good candidates for future frequency conversion schemes.

36 MATERIALS SCIENCE↗

High-resolution X-ray observations of the Cassiopeia A supernova remnant with the Einstein Observatory

Cas A was observed with the imaging detectors on the Einstein X-ray Observatory. The mass of the expanding shell due to the interaction of the blast wave and the ambient medium is determined. This indicates that Cas A is probably not in the free expansion phase, but has not yet reached the adiabatic phase of expansion. Detailed comparison of X-ray, optical, and radio images shows various degrees of correlation, indicating that several processes for emission are present. An upper limit of 1,500,000 K is established for any stellar remnant that is below the expected temperature of a neutron star by a factor of about 5. The total mass of the SNR is found to be 10-30 solar masses

Murray, S. S.↗

Initial thermal plasma observations from ISEE-1

The initial measurements of magnetospheric thermal ions by the Plasma Composition Experiment on ISEE-1 are presented to demonstrate the surprising variety in this plasma population. The data provide evidence that the adiabatic mapping of the high latitude ionosphere to the equatorial plasma trough provides an insufficient description of the origin, transport, and accumulation processes which supply low energy ions to the outer plasmasphere and plasma trough.

Baugher, C. R.↗

Focusing anisotropy of solar cosmic rays

Analysis of 50-MeV particle data from ICE and 1-GeV data from eight high-latitude neutron monitors of the February 16, 1984 solar cosmic ray event indicates that an exponential with scattering mean free path of greater than 2 AU and with index in the 1.3-1.7 range provides a better description of particle anisotropies than the first-order form, confirming the prediction from cosmic ray transport theories which incorporate the effect of adiabatic focusing into the usual pitch angle scattering formalism. The time profile of the event is largely a reflection of coronal transport processes, with good fits provided by a coronal diffusion coefficient of about 10 to the 18th sq cm/s and with velocity-dependent escape. The simple method of predicting the interplanetary scattering parameters has application where particle injection is nearly continuous, but where previously accelerated particles have filled the heliosphere with a large omnidirectional background.

Bieber, J. W.↗

Prediction and control of transition in hypersonic boundary layers

In this paper, the role of compressible linear stability theory in prediction of boundary layer transition at supersonic and hypersonic speeds is investigated. Computations for sharp cones, using the e exp N method with N = 10, show that the first oblique Tollmien-Schlichting mode is responsible for transition at adiabatic wall conditions for freestream Mach numbers up to 7. For cold walls, the two-dimensional second mode dominates the transition process at lower hypersonic Mach numbers due to the well-known destabilizing effect of cooling on the second mode. It is shown that pressure gradient and suction may be used to stabilize this mode. Some results on the real gas effects on hypersonic boundary-layer stability are presented.

Malik, Mujeeb R.↗

The problem of cooling an air-cooled cylinder on an aircraft engine

An analysis of the cooling problem has been to show by what means the cooling of an air-cooled aircraft engine may be improved. Each means of improving cooling is analyzed on the basis of effectiveness in cooling with respect to power for cooling. The altitude problem is analyzed for both supercharged and unsupercharged engines. The case of ground cooling is also discussed. The heat-transfer process from the hot gases to the cylinder wall is discussed on the basis of the fundamentals of heat transfer and thermodynamics. Adiabatic air-temperature rise at a stagnation point in compressible flow is shown to depend only on the velocity of flow.

Brevoort, M J↗

Summertime low clouds mediate the impact of the large-scale circulation on Arctic sea ice

The rapid Arctic sea ice retreat in the early 21 st century is believed to be driven by several dynamic and thermodynamic feedbacks, such as ice-albedo feedback and water vapor feedback. However, the role of clouds in these feedbacks remains unclear since the causality between clouds and these processes is complex. Here, we use NASA CERES satellite products and NCAR CESM model simulations to suggest that summertime low clouds have played an important role in driving sea ice melt by amplifying the adiabatic warming induced by a stronger anticyclonic circulation aloft. The upper-level high pressure regulates low clouds through stronger downward motion and increasing lower troposphere relative humidity. The increased low clouds favor more sea ice melt via emitting stronger longwave radiation. Then decreased surface albedo triggers a positive ice-albedo feedback, which further enhances sea ice melt. Considering the importance of summertime low clouds, accurate simulation of this process is a prerequisite for climate models to produce reliable future projections of Arctic sea ice.

54 ENVIRONMENTAL SCIENCES↗