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At least 631 records · Page 35

CHROMOSPHERIC AND CORONAL WAVE GENERATION IN A MAGNETIC FLUX SHEATH

Using radiation magnetohydrodynamic simulations of the solar atmospheric layers from the upper convection zone to the lower corona, we investigate the self-consistent excitation of slow magneto-acoustic body waves (slow modes) in a magnetic flux concentration. We find that the convective downdrafts in the close surroundings of a two-dimensional flux slab “pump” the plasma inside it in the downward direction. This action produces a downflow inside the flux slab, which encompasses ever higher layers, causing an upwardly propagating rarefaction wave. The slow mode, excited by the adiabatic compression of the downflow near the optical surface, travels along the magnetic field in the upward direction at the tube speed. It develops into a shock wave at chromospheric heights, where it dissipates, lifts the transition region, and produces an offspring in the form of a compressive wave that propagates further into the corona. In the wake of downflows and propagating shock waves, the atmosphere inside the flux slab in the chromosphere and higher tends to oscillate with a period of ν ≈ 4 mHz. We conclude that this process of “magnetic pumping” is a most plausible mechanism for the direct generation of longitudinal chromospheric and coronal compressive waves within magnetic flux concentrations, and it may provide an important heat source in the chromosphere. It may also be responsible for certain types of dynamic fibrils.

79 ASTRONOMY AND ASTROPHYSICS↗

Collision matrix elements near a pseudocrossing of potential energy curves.

The cross sections of certain inelastic atomic collision processes can be determined from the matrix elements of the collision operator, d/dR, where R is the separation of the colliding atoms. At one extreme, the matrix element may pass through zero near a pseudocrossing of potential energy curves, while at the other extreme, it may pass through a maximum. The resulting cross sections are entirely different in magnitude and in energy dependence. An attempt is made to predict the qualitative behavior of the collision matrix elements with variations in R from an analysis of the Born-Oppenheimer adiabatic Hamiltonian. The modifications caused by a second pseudocrossing with a third adiabatic state are studied.

Oppenheimer, M.↗

Vibronic interaction in CO3- photo-detachment: Jahn-Teller effects beyond structural distortion and general formalisms for vibronic Hamiltonians in trigonal symmetries

Recently, the negative ion photoelectron spectrum of CO?? 3 was reported and the second lowest energy band is assigned to the close-lying 3E00 and 3E0 states that undergo Jahn-Teller distortions (Chem. Sci. 2016, 7, 1142). This assignment is based on the Born-Oppenheimer approximation and the assumption of a static Jahn-Teller eect that distorts the CO3 structure from D3h to C2v symmetry. In this work, we employ a 4 states 6 modes vibronic coupling model to investigate the triplet band and uncover the dynamic and non-adiabatic nature of the Jahn-Teller and pseudo- Jahn-Teller interactions in the triplet states. The apparent four peaks progression in the band is studied in depth, and is found to consist of more than four transitions. By comparing the simulated spectra using the full model and the reduced-dimension 2 states 2 modes models, we characterize those transitions. The origin of the complexities of the spectrum is traced to the C-O nonbonding character of the orbitals that lose electron in the photo-detachment process. Methodology-wise, we derive and present the formalisms for arbitrary order expansions of all bimodal trigonal Jahn-Teller and pseudo-Jahn-Teller Hamiltonians in vibrational coordinates.

Seidu, Issaka↗

Landau-Zener transitions mediated by an environment: Population transfer and energy dissipation

We study Landau-Zener transitions between two states with the addition of a shared discretized continuum. The continuum allows for population decay from the initial state as well as indirect transitions between the two states. The probability of nonadiabatic transition in this multichannel model preserves the standard Landau-Zener functional form except for a shift in the usual exponential factor, reflecting population transfer into the continuum. We provide an intuitive explanation for this behavior assuming individual, independent transitions between pairs of states. In contrast, the ground state survival probability at long time shows a novel, non-monotonic, functional form with an oscillatory behavior in the sweep rate at low sweep rate values. We contrast the behavior of this open-multistate model to other generalized Landau-Zener models incorporating an environment: the stochastic Landau-Zener model and the dissipative case, where energy dissipation and thermal excitations affect the adiabatic region. Finally, we present evidence that the continuum of states may act to shield the two-state Landau-Zener transition probability from the effect of noise.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Dynamical and chemical contributions to variability in microwave limb sounder Arctic stratoshperic column ozone

Analyses of column ozone above 100 hPa (Col100) derived from Upper Atmosphere Research Satellite Microwave Limb Sounder (MLS) data in February/March 1992-1998 show that about half of the interannual variability in Col100 in the Arctic polar vortex in late winter results from interannual variability in chemical loss. A majority of the remainder results from interannual variability in day-to-day dynamical motions including adiabatic warming/cooling and poleward advection of underlying upper tropospheric subtropical air on short timescales, rather than from variations in descent rates and large-scale transport over the winters. The morphology of Col100 from MLS remains very similar to that in the dynamical models even in the years with most chemical ozone loss. The amount and character of day-to-day variability in dynamical models closely follows that in MLS Col100. Although the morphology of and day-to-day variability in Arctic column ozone are controlled by dynamical processes, chemical ozone loss was a major factor in producing both the low values of and the large interannual variability in Arctic column ozone observed during the 1990s.

Arctic ozone loss↗

Mechanics of pore array collapse and interaction in shock-compressed polymethyl methacrylate (PMMA)

Recent studies on dynamic pore collapse have revealed significant development of shear localization, which can lead to material failure in porous structures and hot spot generation in energetic materials. These findings have dramatically improved the understanding of failure mechanisms during pore collapse but also prompt further investigation of realistic porous materials. In particular, porous media consist of many pores and porous networks. Even in low-porosity materials, pores can form in close proximity during the manufacturing process, leading to the critical question of pore–pore interaction during collapse under dynamic loading conditions. This study investigates, via plate impact experiments coupled with high-speed internal digital image correlation and shadowgraphy techniques, the collapse of two pores in shock-compressed PMMA at stresses between 0.4 and 1 GPa. The results of these experiments provide new insights into shear localization in pore collapse, in addition to distinct interactions between pores. Shadowgraphy measurements reveal novel, direct visualization of shear band development and crack evolution from pore surfaces. Spacing between adiabatic shear bands is measured over a range of impact stresses and is predicted accurately by the Grady–Kipp model. Pore interactions are found to effect a transition in the impact stress threshold at which different failure mechanisms initiate and are also found to possibly influence preferential sites for shear cracking. Throughout the study, numerical and theoretical models are leveraged to understand shear localization behavior. The role of baroclinicity and wave interactions between the pores is used to elucidate interaction mechanisms between pores.

Lawlor, Barry P. [California Institute of Technolo↗

Evaluation of a New Cloud Droplet Activation Parameterization wtih in Situ Data from CRYSTAL-FACE and CSTRIPE

The accuracy of the 2003 prognostic, physically based aerosol activation parameterization of A. Nenes and J. H. Seinfeld (NS) with modification introduced by C. Fountoukis and A. Nenes in 2005 (modified NS) is evaluated against extensive microphysical data sets collected on board the Center for Interdisciplinary Remotely Piloted Aircraft Studies (CIRPAS) Twin Otter aircraft for cumuliform and stratiform clouds of marine and continental origin. The cumuliform cloud data were collected during NASA's Cirrus Regional Study of Tropical Anvils and Cirrus Layers-Florida Area Cirrus Experiment (CRYSTAL-FACE, Key West, Florida, July 2002), while the stratiform cloud data were gathered during Coastal Stratocumulus Imposed Perturbation Experiment (CSTRIPE, Monterey, California, July 2003). In situ data sets of aerosol size distribution, chemical composition, and updraft velocities are used as input for the NS parameterization, and the evaluation is carried out by comparing predicted cloud droplet number concentrations (CDNC) with observations. This is the first known study in which a prognostic cloud droplet activation parameterization has been evaluated against a wide range of observations. On average, predicted droplet concentration in adiabatic regions is within -20% of observations at the base of cumuliform clouds and -30% of observations at different altitudes throughout the stratiform clouds, all within experimental uncertainty. Furthermore, CDNC is well parameterized using either a single mean updraft velocity w or by weighting droplet nucleation rates with a Gaussian probability density function of w. This study suggests that for nonprecipitating warm clouds of variable microphysics, aerosol composition, and size distribution the modified NS parameterization can accurately predict cloud droplet activation and can be successfully implemented for describing the aerosol activation process in global climate models.

Meskhidze, Nicholas↗

Analysis of NIF experiments with the minimal energy implosion model

We apply a recently developed analytical model of implosion and thermonuclear burn to fusion capsule experiments performed at the National Ignition Facility that used low-foot and high-foot laser pulse formats. Our theoretical predictions are consistent with the experimental data. Our studies, together with neutron image analysis, reveal that the adiabats of the cold fuel in both low-foot and high-foot experiments are similar. That is, the cold deuterium-tritium shells in those experiments are all in a high adiabat state at the time of peak implosion velocity. The major difference between low-foot and high-foot capsule experiments is the growth of the shock-induced instabilities developed at the material interfaces which lead to fuel mixing with ablator material. Furthermore, we have compared the NIF capsules performance with the ignition criteria and analyzed the alpha particle heating in the NIF experiments. Our analysis shows that alpha heating was appreciable only in the high-foot experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Decoherence and energy relaxation in the quantum-classical dynamics for charge transport in organic semiconducting crystals: An instantaneous decoherence correction approach

We explore an instantaneous decoherence correction (IDC) approach for the decoherence and energy relaxation in the quantum-classical dynamics of charge transport in organic semiconducting crystals. These effects, originating from environmental fluctuations, are essential ingredients of the carrier dynamics. The IDC is carried out by measurement-like operations in the adiabatic representation. While decoherence is inherent in the IDC, energy relaxation is taken into account by considering the detailed balance through the introduction of energy-dependent reweighing factors, which could be either Boltzmann (IDC-BM) or Miller-Abrahams (IDC-MA) type. For a non-diagonal electron-phonon coupling model, it is shown that IDC tends to enhance diffusion while energy relaxation weakens this enhancement. As expected, both the IDC-BM and IDC-MA achieve a near-equilibrium distribution at finite temperatures in the diffusion process, while in the Ehrenfest dynamics the electronic system tends to infinite temperature limit. The resulting energy relaxation times with the two kinds of factors lie in different regimes and exhibit different dependences on temperature, decoherence time, and electron-phonon coupling strength, due to different dominant relaxation processes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The adiabatic motion of charged dust grains in rotating magnetospheres

Adiabatic equations of motion are derived for the micrometer-sized dust grains detected in the Jovian and Saturn magnetospheres by the Pioneer 10 and 11 spacecraft. The adiabatic theory of charged particle motion is extended to the case of variable grain charge. Attention is focused on the innermost and outermost limits to the grain orbit evolution, with all orbits tending to become circular with time. The parameters such as the center equation of motion, the drift velocity, and the parallel equation of motion are obtained for grains in a rotating magnetosphere. Consideration is given to the effects of periodic grain charge-discharge, which are affected by the ambient plasma properties and the grain plasma velocity. The charge-discharge process at the gyrofrequency is determined to eliminate the invariance of the magnetic moment and cause the grain to exhibit radial movement. The magnetic moment increases or decreases as a function of the gyrophase of the charge variation.

Northrop, T. G.↗

Elemental Fractionation During Rapid Accretion of the Moon Triggered by a Giant Impact

Recently, Ida et al. made an N-body simulation of lunar accretion from a protolunar disk formed by a giant impact. One of their important conclusions is that the accretion time of the Moon is as short as one month. Such rapid accretion is a necessary consequence of the high surface density of a lunar mass disk accreting just beyond the Roche limit (about 3Re); the Safronov accretion time (a few days) is even shorter. The energy of accretion always exceeds the gravitational binding energy of newly arriving matter. Hence, without an energy sink, the accreting body is thermally unstable. For the Earth and other planets, radiation acts as the sink. However, in such a short accretion time, the Moon cannot radiate the accretional energy. Even radiating at a silicate cloudtop temperature of roughly 2000 K, it would take more than 100 yr to radiatively cool the Moon. The plausible alternative heat sinks are heat capacity, latent heat of vaporization, and thermal escape of the gas to space (i.e., hydrodynamic blowoff). The latter becomes plausible for the Moon because the scale height at 2000 K (about 300 km) is a significant fraction of the lunar radius. The early stages of lunar (or "lunatesimal") growth release relatively little energy and can occur simply by heating the material, especially if the accreting material is originally cold. However, the material is unlikely to be cold, because the disk itself is hot and cooling time is long, while the lunar accretion time iss very short. Therefore, the moon is likely to accrete condensed material just after it condenses. Accordingly, the newly accreted material will be on the verge of vaporization and will have very little heat capacity to spare. The immediate heat sink is the latent heat of vaporization. Most of the vapor will escape from the moon, because the thermal energy in the gas can be used to drive escape. However, vaporization is generally incomplete. the latent heat of vaporization exceeds the energy of accretion. Viewed globally, the accretional energy is about half the energy required to vaporize the entire Moon. Thus to first approximation, half of the Moon-forming material can be vaporized and lost during accretion. During this process, we would expect preferential loss of relatively volatile elements. Escape will retard the rate of accretion. To test these ideas, we computed detailed models of the thermal state of the Moon during accretion. We pay special attention to the structure of the silicate atmosphere and its loss rate by calculating the chemical species at equilibrium. We used the PHEQ program which includes 12 elements (H,O,C,Mg,Si,Fe,Ca, Al, Na,Ti, and N.) and 272 compounds (including ionic compounds). Because of the large heats of vaporization and ionization, the adiabatic atmosphere is nearly isothermal and massive escape is expected. The pressure of the atmosphere is determined by the balance between vaporization of a accreting material and escape. If the accretion time is one month, a 0.3 bar atmosphere is expected. Elemental fractionation depends strongly on the temperature of the accreting material. The initial temperature of the material can be estimated from the condition of gravitational instability in the protolunar disk. As shown by Ida et al, accretion starts when gravitational instability occurs when more than 99% of the material condenses. At this point, all of Ca, Al, Si, Mg, and Fe, and 95% of Na (probably K also), are in condensed phases. If the moon is formed from the accretion of such material, volatile elements such as Na, and K are retained by the moon only early in accretion. At later times, K and Na are lost and a fraction of the MG, Si and Fe is lost. However, refractory elements such as Ca and Al are retained and so achieve a mild degree (factor 2) of superabundance.

Abe, Y.↗

Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: A comparative investigation of the isomerization in the gas and solution phases

Azobenzene is one of the most widely used photoactive units and recently an ethylene-bridged azobenzene (BAB) was reported to have greatly enhanced conversion efficiency, quantum yield, and other favorable properties. As the first step towards exploring its photo-switchable character in real systems, we report here a systematic study on the photoisomerization dynamics between trans (E) and cis (Z) isomers in the gas phase and the CH{sub 3}OH solution, using ab initio based surface hopping and molecular dynamics, which is the first report of dynamics simulation to reveal the environmental effects on BAB photoreactions. Results show that while the relatively faster S{sub 1} relaxation of the photo-induced E{yields}Z process is only mildly affected by the solvent effect, the relatively slower S{sub 1} relaxation of the reverse reaction becomes even slower in the solution compared to the gas phase. The subsequent S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub E}) to Z is accelerated in solution compared to the gas phase because of avoided re-crossing to the S{sub 1} state, while the S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub Z}) to E are basically the same in both phases. Overall, the solvent effect was found to enhance the back-and-forth photo-switch efficiency between the Z and E isomers compared to the gas phase, while the quantum yields are reduced. But the solution yields of both the forward and backward photoreactions are still around 0.4. Therefore, BAB may have good photo-responsive properties if used as a photoactive unit in real systems. These results will facilitate future experimental and theoretical studies in this area to help design new azobenzene derivatives as photoactive units in biological processes, nanoscale devices, and photo-responsive materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Heat Loss Correction Factor for Fireball Yield Measurements

Fireball yield calculations are performed using Taylor’s radius equation. However, at early times, the x-ray diffusion process has a significant effect on the size of the fireball, and at late times the shock wave degenerates into an acoustic wave. Thus, earlier research determined that the range of validity for Taylor’s equation was in the scaled time regime of 0.004–0.008 s. So, when performing a yield calculation, the only values that are analyzed are those that lie within that range of validity. While Taylor’s equations offer an approximation of the scaled yield, they also rely on several assumptions. For example, the equations assume that the shock wave is adiabatic, when, in fact, the first light pulse on the nuclear test films, which occurs as the shock wave is forming, suggests that the shock wave is not adiabatic. Furthermore, the amount of heat loss from the shock wave that occurs prior to the scaled time regime of 0.004–0.008 s can change significantly as a function of air density. This may cause the shock wave radius to be smaller relative to the assumed adiabatic shock wave. Therefore, the objective of this project was to determine the correction factor for heat transfer, which should be applied in order to produce a more accurate approximation of the weapon’s yield.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Particle motion in the tail current sheet

Theory of particle motion in current sheets is reviewed. For small, approximately constant normal magnetic field, Bz, particles oscillate about the current sheet and 'live' within the sheet for one-half gyroperiod based on Bz. This lifetime replaces the mean collision time in the Lorentzian conductivity and thus gives rise to the concept of an inertial (or gyro-) conductivity. A substorm model by Coroniti utilizes this conductivity to allow reconnection to proceed without anomalous processes, due to wave-particle interactions. Chaotic particle orbits may at times be important to the dynamics, depending on parameters such as particle energy, current sheet thickness, and field line curvature. A current sheet model with neutral line predicts a ridge structure and asymmetries in the distribution function. Ion distributions near the plasma sheet boundary layer, during the CDAW 6 interval, are consistent with the model predictions. In recent studies by Mitchell et al. and Williams et al., the major current carriers during the growth phase of a substorm were found to be adiabatic electrons not more than 1 keV, but just before a current disruption event, the tail current was mainly carried by energetic ions undergoing current sheet oscillation.

Speiser, T. W.↗

A power compensated differential scanning calorimeter for protein stability characterization

This study presented a power compensated MEMS differential scanning calorimeter (DSC) for protein stability characterization. In this microfabricated sensor, PDMS (Polydimethylsiloxane) and polyimide were used to construct the adiabatic chamber (1 μL) and temperature sensitive vanadium oxide was used as the thermistor material. A power compensation system was implemented to maintain the sample and reference at the same temperature. The resolution study and step response characterization indicated the high sensitivity (6 V/W) and low noise level (60 μk) of the device. The test with IgG1 antibody (mAb1) samples showed clear phase transitions and the data was confirmed to be reasonable by comparing it with the results of commercial DSC’s test. Finally, this device used ~1uL sample amount and could complete the scanning process in 4 min, significantly increasing the throughput of the bimolecular thermodynamics study like drug formulation process.

36 MATERIALS SCIENCE↗

THE OPACITY OF THE INTERGALACTIC MEDIUM DURING REIONIZATION: RESOLVING SMALL-SCALE STRUCTURE

Early in the reionization process, the intergalactic medium (IGM) would have been quite inhomogeneous on small scales, due to the low Jeans mass in the neutral IGM and the hierarchical growth of structure in a cold dark matter universe. This small-scale structure acted as an important sink during the epoch of reionization, impeding the progress of the ionization fronts that swept out from the first sources of ionizing radiation. Here we present results of high-resolution cosmological hydrodynamics simulations that resolve the cosmological Jeans mass of the neutral IGM in representative volumes several Mpc across. The adiabatic hydrodynamics we follow are appropriate in an unheated IGM, before the gas has had a chance to respond to the photoionization heating. Our focus is determination of the resolution required in cosmological simulations in order to sufficiently sample and resolve small-scale structure regulating the opacity of an unheated IGM. We find that a dark matter particle mass of m {sub dm} {approx}< 50 M {sub Sun} and box size of L {approx}> 1 Mpc are required. With our converged results we show how the mean free path of ionizing radiation and clumping factor of ionized hydrogen depend on the ultraviolet background flux and redshift. We find, for example at z = 10, clumping factors typically of 10-20 for an ionization rate of {Gamma} {approx} (0.3-3) Multiplication-Sign 10{sup -12} s{sup -1}, with corresponding mean free paths of {approx}3-15 Mpc, extending previous work on the evolving mean free path to considerably smaller scales and earlier times.

79 ASTRONOMY AND ASTROPHYSICS↗

Dark matter isocurvature from curvature

Isocurvature fluctuations, where the relative number density of particle species spatially varies, can be generated from initially adiabatic, or curvature, fluctuations if the various species fall out of or were never in thermal equilibrium. The freezing of the thermal relic dark matter abundance is one such case, but for modes that are still outside the horizon the amplitude is highly suppressed and originates from the small change in the local expansion rate due to the local space curvature produced by the curvature fluctuation. We establish a simple separate-universe method for calculating this generation that applies to both freeze-in and freeze-out models, identify three critical epochs for this process, and give general scaling behaviors for the amplitude in each case: the freezing epoch, the kinetic decoupling epoch and matter-radiation equality. Freeze-out models are typically dominated by spatially modulated annihilation from the latter epochs and can generate much larger isocurvature fluctuations compared with typical freeze-in models, albeit still very small and observationally allowed by cosmic microwave background measurements. Here, we illustrate these results with concrete models where the dark matter interactions are vector or scalar mediated.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum entanglement in nuclear fission

Nuclear fission presents a unique example of quantum entanglement in strongly interacting many-body systems. A heavy nucleus can split into hundreds of combinations of two complementary fragments in the fission process. The entanglement of fragment wave functions is persistent even after separation and impacts the partition of particles and energies between fragments. Based on microscopic dynamical calculations of the fission of 240 Pu, this work finds that dynamical quantum entanglement is indispensable in the appearance of sawtooth distributions of average excitation energies of fragments and thus neutron multiplicities, but not in average neutron excess of fragments. Both sawtooth slopes from particle-number projections are found to be steep – a feature which can be alleviated by random fluctuations. The persistent entanglement is mainly due to non-adiabatic dynamics since the final splitting is so fast that the non-localization of wave functions is kept during the separation. These findings may impact the understanding of quantum entanglement more broadly in mesoscopic systems

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗