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At least 217 records · Page 12

Deflagration-to-detonation transition in granular HMX

Granular HMX of three degrees of fineness was packed into heavy-walled steel tubes closed at both ends. Ignition was obtained at one end using an intimate mixture of finely divided titanium and boron as an igniter that produced heat with little gas. The distance to detonation was determined by examination of the resulting tube fragments. By inserting tightly-fitted neoprene diaphragms periodically into the HMX column, it was shown that the role of convective combustion was limited to the initial stage of the deflagration to detonation (DDT) process. Experiments in which various combinations of two of the three types of HMX were loaded into the same tube showed that heating by adiabatic shear of explosive grains was an essential factor in the final buildup to detonation. A description of the DDT process is developed in which conductive burning is followed in turn by convective burning, bed collapse with plug formation, onset of accelerated burning at the front of the plug through heating by intercrystalline friction and adiabatic shear, and intense shock formation resulting in high-order detonation.

Campbell, A. W.↗

MHD simulation on magnetic compression of field reversed configurations with NIMROD

Abstract Magnetic compression has long been proposed a promising method for plasma heating in a field reversed configuration (FRC). However, it remains a challenge to fully understand the physical mechanisms underlying the compression process, due to its highly dynamic nature beyond the one-dimensional (1D) adiabatic theory model (Spencer et al 1983 Phys. Fluids 26 1564). In this work, magnetohydrodynamics simulations on the magnetic compression of FRCs using the NIMROD code (Sovinec et al 2004 J. Comput. Phys. 195 355) and their comparisons with the 1D theory have been performed. The effects of the assumptions of the theory on the compression process have been explored, and the detailed profiles of the FRC during compression have been investigated. The pressure evolution agrees with the theoretical prediction under various initial conditions. The axial contraction of the FRC can be affected by the initial density profile and the ramping rate of the compression magnetic field, but the theoretical predictions on the FRC’s length in general and the relation r s = 2 r o in particular hold approximately well during the whole compression process, where r s is the major radius of FRC separatrix and r o is that of the magnetic axis. The evolutions of the density and temperature can be affected significantly by the initial equilibrium profile and the ramping rate of the compression magnetic field. During the compression, the major radius of the FRC is another parameter that is susceptible to the ramping rate of the compression field. Basically, for the same magnetic compression ratio, the peak density is higher and the FRC’s radius r s is smaller than the theoretical predictions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Rate constants for fine-structure excitations in O-H collisions with error bars obtained by machine learning

We present an approach using a combination of coupled channel scattering calculations with a machine-learning technique based on Gaussian Process regression to determine the sensitivity of the rate constants for non-adiabatic transitions in inelastic atomic collisions to variations of the underlying adiabatic interaction potentials. Using this approach, we improve the previous computations of the rate constants for the fine-structure transitions in collisions of O({sup 3}P{sub j}) with atomic H. We compute the error bars of the rate constants corresponding to 20% variations of the ab initio potentials and show that this method can be used to determine which of the individual adiabatic potentials are more or less important for the outcome of different fine-structure changing collisions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electronic properties of ThC − and ThC

The present study investigates the properties of low-lying states of ThC − and ThC using correlated wave function theories. To this end, we employed multireference calculations and various coupled-cluster approaches in combination with large correlation-consistent basis sets. These methods were applied to examine potential energy curves (PECs), electron configurations, energetics, spectroscopic constants, and spin–orbit coupling effects for 9 states of ThC − and 18 states of ThC. The ground states of ThC − and ThC were identified as single-reference 2 Σ + 1/2 (I) and $^3Σ^+_{0^-} (\textrm{I})$, respectively. Electron detachment from the 7s orbital of the Th center in ThC − [ 2 Σ + (I); 1σ 2 2σ1 3 σ2 1 π 4 ] yields ThC [ 3 Σ + (I); 1σ 2 2σ 1 3σ 1 1π 4 ]. The calculated adiabatic detachment energy (ADE) and vertical detachment energy (VDE) for this process are 1.591 and 1.604 eV, respectively. Furthermore, the dissociation energy (D 0 ) of ThC [$^3Σ^+_{0^-} (\textrm{I})$] is predicted to be 5.099 eV. The standard enthalpy of formation, $ΔH^{°}_{\textrm{f}}$ (298 K), of ThC is estimated to be 822.52 ± 6 kJ mol −1 .

74 ATOMIC AND MOLECULAR PHYSICS↗

Symmetric Bloch oscillations of matter waves

Cold atoms in an optical lattice provide an ideal platform for studying Bloch oscillations. Here we extend Bloch oscillations to two superposed optical lattices that are accelerated away from one another, and show that these symmetric Bloch oscillations can split, reflect, and recombine matter waves coherently. Using the momentum parity symmetry of the Hamiltonian, we map out the energy band structure of the process and show that superpositions of momentum states are created by adiabatically following the ground state of the Hamiltonian. The relative phase and velocity of the two lattices completely determines the trajectories of different branches of the matter wave. Experimentally we demonstrate symmetric Bloch oscillations using cold cesium atoms where we form interferometers with up to 240ℏk momentum splitting, one of the largest coherent momentum splittings achieved to date. This work has applications in macroscopic tests of quantum mechanics, measurements of fundamental constants, and searches for new physics.

36 MATERIALS SCIENCE↗

Once-in-a-lifetime encounter models for neutrino media. II. Quasisteady states and miscidynamic flavor evolution

We extended the once-in-a-lifetime encounter (OILE) model to stochastic interactions among neutrinos. As in the original OILE model, the new model reproduces the mean-field behavior of a dense neutrino gas for time 𝑡 ≲ (𝜇⁢𝛾) −1 , where 𝜇 measures the strength of the mean-field neutrino self-interaction potential and is proportional to the neutrino density, and the dimensionless “impact parameter” 𝛾 is a measure of the change in the flavor quantum state of a neutrino during interaction with another neutrino when the wave packets of the two neutrinos overlap. As in the mean-field case, the OILE model with random neutrino velocities experiences kinetic flavor decoherence as the flavor quantum states of the neutrinos diverge from each other. Unlike the mean-field case, however, the OILE model has a “collision term” due to the quantum entanglement among neutrinos. For 𝛾 ≪ 1, this incoherent effect can drive the neutrinos into a quasisteady state that is similar to the collective precession mode in a homogeneous and isotropic neutrino gas in the mean-field approximation. Subsequently, the collision term drives the neutrino gas adiabatically through different quasisteady states and eventually to flavor equilibration. This process is an example of miscidynamic flavor evolution, with the mixing equilibria being the quasisteady precession states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

S-band radio occultation measurements of the atmosphere and topography of Mars with Mariner 9: Extended mission coverage of polar and intermediate latitudes

Radio occultation measurements from Mariner 9 orbits around Mars show that the radius of Mars changes by only about 2 km from a latitude of 65 deg to the north pole, that the north polar area is about average in elevation, and that polar temperature profiles are indicative of the possibility that the remnant north polar cap may be at least partially composed of water ice. It is also found that Mars, in addition to being asymmetrical equatorially, is also significantly asymmetrical in the north and south direction with the Southern Hemisphere lying 3 to 4 km higher. Temperature gradients in the clear Martian atmosphere of only about one-half of the adiabatic gradients of 5 deg K/km suggest the importance of dynamical processes.

Kliore, A. J.↗

Synchrotron radiation from Neptune - Neptune's magnetic field and electron population

On the basis of radio measurements of Neptune at 20 cm, one can infer the presence of about 0.4 mJy synchrotron radiation. By assuming a dipole-like magnetic field, with the energetic electrons confined to the magnetic equator, Neptune's magnetic dipole moment is estimated. Its electron population should be between that in Uranus' and Jupiter's magnetospheres. If the electrons are injected by the solar wind, local acceleration processes in the magnetosphere are required to energize the particles, because adiabatic diffusion alone is not sufficient.

De Pater, Imke↗

Reliable Optical Pump Architecture for Highly Coherent Lasers Used in Space Metrology Applications

The design and initial demonstration of a laser pump module (LPM) incorporating single-mode, grating-stabilized 808-nm diode lasers and a low-loss, high-port-count optical combiner are completed. The purpose of the developed LPM is to reliably pump an Nd:YAG crystal in the laser head (LH), which serves as the optical metrology source for SIMLite mission. Using the narrow-linewidth, single-mode laser diodes enables placement of the pump power near Nd adsorption peak, which enhances pumping efficiency. Grating stabilization allows for stable pump spectra as diode operating temperature and bias current change. The low-loss, high-port-count optical combiner enables efficient combining of tens of pumps. Overall, the module supports 5+ years of continuous operation at 2 W of pump power with reliability approaching 100 percent. The LPM consists of a laser diode farm (LDF) and a pump beam combiner (PBC). An array of 807- to 808-nm fiber-pigtailed laser diodes makes up the LDF. A Bragg grating in each 5- m core single-mode (SM) fiber pigtail acts to stabilize the lasing spectra over a range of diode operating conditions. These commercially available single-mode laser diodes can deliver up to 150 mW of optical power. The outputs from the multiple pumps in the LDF are routed to the PBC, which is a 37-input by 1-output all-fiber device. The input ports consist of 5- m core SM fiber, while the output port consists of 105- m core, 0.15 NA (numerical aperture) multi-mode (MM) fiber. The combiner is fabricated by fusing the 37 input fibers while simultaneously tapering the fused region. At the completion of this process, the MM fiber is spliced to the end of the adiabatic taper, and, for protection, the combiner is sheathed by a capillary tube. A compact and robust metal housing was designed and fabricated to protect the PBC during space deployment.

Erlig, Herman↗

HOW AGN JETS HEAT THE INTRACLUSTER MEDIUM—INSIGHTS FROM HYDRODYNAMIC SIMULATIONS

Feedback from active galactic nuclei (AGNs) is believed to prevent catastrophic cooling in galaxy clusters. However, how the feedback energy is transformed into heat, and how the AGN jets heat the intracluster medium (ICM) isotropically, still remain elusive. In this work, we gain insights into the relative importance of different heating mechanisms using three-dimensional hydrodynamic simulations including cold gas accretion and momentum-driven jet feedback, which are the most successful models to date in terms of reproducing the properties of cool cores. We find that there is net heating within two “jet cones” (within ∼30° from the axis of jet precession) where the ICM gains entropy by shock heating and mixing with the hot thermal gas within bubbles. Outside the jet cones, the ambient gas is heated by weak shocks, but not enough to overcome radiative cooling, therefore, forming a “reduced” cooling flow. Consequently, the cluster core is in a process of “gentle circulation” over billions of years. Within the jet cones, there is significant adiabatic cooling as the gas is uplifted by buoyantly rising bubbles; outside the cones, energy is supplied by the inflow of already-heated gas from the jet cones as well as adiabatic compression as the gas moves toward the center. In other words, the fluid dynamics self-adjusts such that it compensates and transports the heat provided by the AGN, and hence no fine-tuning of the heating profile of any process is necessary. Throughout the cluster evolution, turbulent energy is only at the percent level compared to gas thermal energy, and thus turbulent heating is not the main source of heating in our simulation.

79 ASTRONOMY AND ASTROPHYSICS↗

The Corrected Distortion model for Lagrangian spray simulation of transcritical fuel injection

In this work, we present a detailed implementation and validation of the droplet modeling framework proposed by Dahms and Oefelein (2016) into the engine commercial CFD software CONVERGE using the User Defined Function (UDF) interface. The model accounts for the nonlinear deformation and oscillation experienced by liquid spray droplet injected into high pressure and temperature. Lagrangian spray simulations of Engine Combustion Network (ECN) Spray A are performed. Model validation against standard experimental measurements of liquid velocity, vapor mixture fraction is conducted. To perform more rigorous model validation, new experimental measurements based on Diffused Back Illumination (DBI) are introduced. The new measurements are processed for Projected Liquid Volume (PLV), which offers as close as possible one-to-one model validation for liquid penetration while offering new insights into the spray physics. Comparison with a One-D model based on adiabatic mixing theory by Siebers (1999) and Desantes et al. (2007) are also conducted. Through these model validation exercises, it is shown that the new framework improves liquid-phase penetration predictions, following a tendency for enhanced evaporation, compared to the standard approach for both Reynolds Average Navier Stokes (RANS) and Large Eddy Simulation (LES). Additionally, at the liquid length, maximum mixture fraction values predicted by the new approach are in good agreement those of an adiabatic mixing model. Qualitative analysis of the spray behaviors during the early stage of the injection process reveals that the proposed framework predicts significant increase in droplet evaporation rate with lower drop drag compared to the current standard approach.

42 ENGINEERING↗

Quantum-mechanical approach to predissociation of water dimers in the vibrational adiabatic representation: Importance of channel interactions

The results of application of the quantum-mechanical adiabatic theory to vibrational predissociation (VPD) of water dimers, (H{sub 2}O){sub 2} and (D{sub 2}O){sub 2}, are presented. We consider the VPD processes including the totally symmetric OH mode of the dimer and the bending mode of the fragment. The VPD in the adiabatic representation is induced by breakdown of the vibrational adiabatic approximation, and two types of nonadiabatic coupling matrix elements are involved: one provides the VPD induced by the low-frequency dissociation mode and the other provides the VPD through channel interactions induced by the low-frequency modes. The VPD rate constants were calculated using the Fermi golden rule expression. A closed form for the nonadiabatic transition matrix element between the discrete and continuum states was derived in the Morse potential model. All of the parameters used were obtained from the potential surfaces of the water dimers, which were calculated by the density functional theory procedures. The VPD rate constants for the two processes were calculated in the non-Condon scheme beyond the so-called Condon approximation. The channel interactions in and between the initial and final states were taken into account, and those are found to increase the VPD rates by 3(1) orders of magnitude for the VPD processes in (H{sub 2}O){sub 2} ((D{sub 2}O){sub 2}). The fraction of the bending-excited donor fragments is larger than that of the bending-excited acceptor fragments. The results obtained by quantum-mechanical approach are compared with both experimental and quasi-classical trajectory calculation results.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical investigations with a hybrid isentropic-sigma model. I - Normal-mode characteristics. II - The inclusion of moist processes

The normal-mode characteristics of baroclinically amplifying disturbances were numerically investigated in a series of adiabatic simulations by a hybrid isentropic-sigma model, demonstrating the effect of coupling an isentropic-coordinate free atmospheric domain with a sigma-coordinate PBL on the normal-mode characteristics. Next, the normal-mode model was modified by including a transport equation for water vapor and adiabatic heating by condensation. Simulations with and without a hydrological component showed that the overall effect of latent heat release is to markedly enhance cyclogenesis and frontogenesis.

Pierce, R. B.↗

Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase

Absolute thermodynamic quantities for critical chemical reactions are needed to determine the role of solvents and reactive environments in catalysis and electrocatalysis beyond the relative scales typically employed. In principle, theoretical methods can provide such quantification but are often hindered by the innate complexity of strong electron correlation and dynamic relaxation of solvent environments. Here, we present and validate a protocol for calculating the redox potentials of ferrocene/ferrocenium redox pair in the acetonitrile. Equation-of-motion ionization potential coupled-cluster single-double (EOM-IP-CCSD) and effective fragment potential (EFP) methods are used to characterize the adiabatic and vertical ionization potentials (IP) as well as the electron affinity processes. We benchmark molecular mechanics against the EFP model to show the differences in ferrocene electronic polarizability in two redox states. Our best estimate of the redox potential (4.94 eV) agrees well with the experimental value (4.93 eV). This demonstrated the ability of modern computational methods to predict absolute redox potentials quantitatively and, more critically, quantify the correlation of dynamic effects, which underlie their origin.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Synchrotron self-Compton in a radiative-adiabatic fireball scenario: modelling the multiwavelength observations in some Fermi /LAT bursts

Energetic GeV photons expected from the closest and the most energetic Gamma-ray bursts (GRBs) provide a unique opportunity to study the very-high-energy emission as well as the possible correlations with lower energy bands in realistic GRB afterglow models. In the standard GRB afterglow model, the relativistic homogeneous shock is usually considered to be fully adiabatic, however, it could be partially radiative. Based on the external forward-shock scenario in both stellar wind and constant-density medium, we present a radiative-adiabatic analytical model of the synchrotron self-Compton (SSC) and synchrotron processes considering an electron energy distribution with a power-law index of $1\lt p\lt 2$ and $2\le p$. We show that the SSC scenario plays a relevant role in the radiative parameter $\epsilon$, leading to a prolonged evolution during the slow cooling regime. In a particular case, we derive the Fermi/LAT light curves together with the photons with energies $\ge 100$ MeV in a sample of nine bursts from the second Fermi/LAT GRB catalogue that exhibited temporal and spectral indices with $\gtrsim 1.5$ and $\approx 2$, respectively. These events can hardly be described with closure relations of the standard synchrotron afterglow model, and also exhibit energetic photons above the synchrotron limit. We have modelled the multiwavelength observations of our sample to constrain the microphysical parameters, the circumburst density, the bulk Lorentz factor, and the mechanism responsible for explaining the energetic GeV photons.

acceleration of particles↗

Calculation of a realistic gradient as a function of radial distance from the sun

Numerical calculations of radial gradients of galactic cosmic ray protons have been performed for a model of the interplanetary cavity which includes processes of diffusion along the spiral interplanetary magnetic field lines, convection, and adiabatic energy change. The increasing spiral nature of the field lines with increasing distance from the sun results in the bulk of the modulation region being beyond the earth. The radial gradients for this model are found to be small near the earth and out to a few AU, increasing as one approaches the boundary.

Lezniak, J. A.↗

An empirical polytrope law for solar wind thermal electrons between 0.45 and 4.76 AU: Voyager 2 and Mariner 10

Empirical evidence is presented that solar wind thermal electrons obey a polytrope law with polytrope index gamma = 1.175 plus or minus 0.03. The Voyager 2 and Mariner 10 data used as evidence are compared and discussed. The theoretical predictions that solar wind thermal electrons in the asymptotic solar wind should obey a polytrope law with polytrope index gamma = 1.16 plus or minus. The widespread impressions in the literature that solar wind electrons behave more like an isothermal than adiabatic gas, and the arguments that Coulomb collisions are the dominant stochastic process shaping observed electron distribution functions in the solar wind are reexamined, reviewed and evaluated. The assignment of the interplanetary potential as equal to approximately seven times the temperature of the thermal electrons is discussed.

Sittler, E. C., Jr.↗

A bounce-averaged kinetic model of the ring current ion population

A bounced-averaged ring current kinetic model for arbitrary pitch angle, including losses due to charge exchange and Coulomb collisions along ion drift paths, is developed and solved numerically. Results from simplifield model runs, intended to illustrate the effects of adiabatic drifts and collisional losses on the proton population, are presented. The processes of: (1) particle acceleration under the conditions of time-independent magnetospheric electric fields; (2) a predominant loss of particles with small pitch angles due to charge exchange; and (3) a buildup of a low-energy population caused by the Coulomb drag energy degradation, are discussed.

Jordanova, V. K.↗