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At least 919 records · Page 51

Derivation of Lanthanide Series Crystal Field Parameters From First Principles.

Two series of lanthanide complexes were chosen to analyze the trends of the magnetic properties along the series: the highly symmetric LnZn 16 (picHA) 16 series with Ln = Tb, Dy, Ho, Er, Yb and picHA=picoline hydroxamic, and the [Ln(DPA) 3 ](C 3 H 5 N 2 ) 3 · 3H 2 O series with DPA = 2,6-dipicolinic acid and Ln = Ce–Yb and the approximate threefold symmetry. The first series present a compressed coordination sphere of 8 oxygen atoms environment while in the 2nd series, the coordination sphere is formed by an elongated coordination sphere formed by 6 oxygen atoms. Crystal field parameters (CFPs) are deduced from ab initio calculations using two methods: the AILFT (Ab Initio Ligand Field Theory) which determines the parameters at the orbital level, and the ITO (Irreducible Technique Operator) decomposition which treats the problem at the many-electron level. It is shown that the CFPs are transferable from one derivative to the other, within a given series. The sign of the 2nd order parameter $B_0^2$ differs in the two series reflecting the difference of environment. It is shown that the use of strength parameter $S$ permits a easy comparison between complexes. Furthermore, in both cases, the parameters are found to decrease in magnitude along the series and this decrease is imputed to covalent effects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Impurity behavior during sawtooth activity in tokamak plasmas

The transport of impurities by a sawtooth crash is simulated with the XTOR-2F code. Impurities are modeled as passive scalars, evolving in the compressible MHD flow inferred from the main MHD plasma. For a peaked impurity density profile, the non-linear kink flow of the sawtooth crash redistributes the profile efficiently and most of the particles in the peak inside the q = 1 surface are expelled. For an initially hollow impurity density profile, the crash leads to a significant penetration up to the magnetic axis. The results are compared with Kadomtsev's model. Despite essentially different mechanisms, the evolution of the particle content inside the q = 1 surface for Kadomtsev's model and for the non-linear case are virtually identical for the peaked profile, while the model slightly overestimates penetration for the hollow case.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

The influence of the nitrogen admixture on the evolution of a deuterium pinch column

The application of a mixture of nitrogen and deuterium for the gas-puffing along the anode axis in deuterium plasma-focus discharges, as carried out at megaampere-level currents, enabled observations of the filamentary structure, and the decrease in the transformation velocity of the plasma column to be performed. It made possible to investigate the instability evolution during the production of hard X-rays and fast neutrons in more detail. The constriction of a plasma column transforms itself during the final phase of the compression into one or more small dense plasmoid-like structures which are separated by narrow necks. During the next phase, these structures start to decay by an expansion, in which a part of the plasma volume maintains its compactness. This evolution is explained by an increase and later decrease in the internal poloidal current component by reconnections of the associated magnetic lines, which are responsible for the acceleration of electron and ion beams.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Localization behavior at bound Bi complex states in GaA s 1 - x B i x

While bismuth-related states are known to localize carriers in GaAs 1-x Bi x alloys, the localization behavior of distinct Bi pair, triplet and cluster states bound above the valence band is less well understood. We probe localization at three different Bi complex states in dilute GaAs 1-x Bi x alloys using magneto-photoluminescence and time-resolved photoluminescence spectroscopy. The mass of electrons Coulomb-bound to holes trapped at Bi pair states is found to increase relative to the average electron mass in the alloy. This increase is attributed to enhanced local compressive strain in the immediate vicinity of the pairs. The dependence of energy transfer between these states on composition is also explored.

36 MATERIALS SCIENCE↗

RECONNECTION-DRIVEN CORONAL-HOLE JETS WITH GRAVITY AND SOLAR WIND

Coronal-hole jets occur ubiquitously in the Sun's coronal holes, at EUV and X-ray bright points associated with intrusions of minority magnetic polarity. The embedded-bipole model for these jets posits that they are driven by explosive, fast reconnection between the stressed closed field of the embedded bipole and the open field of the surrounding coronal hole. Previous numerical studies in Cartesian geometry, assuming uniform ambient magnetic field and plasma while neglecting gravity and solar wind, demonstrated that the model is robust and can produce jet-like events in simple configurations. We have extended these investigations by including spherical geometry, gravity, and solar wind in a nonuniform, coronal hole-like ambient atmosphere. Our simulations confirm that the jet is initiated by the onset of a kink-like instability of the internal closed field, which induces a burst of reconnection between the closed and external open field, launching a helical jet. Our new results demonstrate that the jet propagation is sustained through the outer corona, in the form of a traveling nonlinear Alfvén wave front trailed by slower-moving plasma density enhancements that are compressed and accelerated by the wave. This finding agrees well with observations of white-light coronal-hole jets, and can explain microstreams and torsional Alfvén waves detected in situ in the solar wind. We also use our numerical results to deduce scaling relationships between properties of the coronal source region and the characteristics of the resulting jet, which can be tested against observations.

79 ASTRONOMY AND ASTROPHYSICS↗

Surge-like Oscillations above Sunspot Light Bridges Driven by Magnetoacoustic Shocks

High-resolution observations of the solar chromosphere and transition region often reveal surge-like oscillatory activities above sunspot light bridges (LBs). These oscillations are often interpreted as intermittent plasma jets produced by quasi-periodic magnetic reconnection. We have analyzed the oscillations above an LB in a sunspot using data taken by the Interface Region Imaging Spectrograph . The chromospheric 2796 Å images show surge-like activities above the entire LB at any time, forming an oscillating wall. Within the wall we often see that the core of the Mg ii k 2796.35 Å line first experiences a large blueshift, and then gradually decreases to zero shift before increasing to a redshift of comparable magnitude. Such a behavior suggests that the oscillations are highly nonlinear and likely related to shocks. In the 1400 Å passband, which samples emission mainly from the Si iv ion, the most prominent feature is a bright oscillatory front ahead of the surges. We find a positive correlation between the acceleration and maximum velocity of the moving front, which is consistent with numerical simulations of upward propagating slow-mode shock waves. The Si iv 1402.77 Å line profile is generally enhanced and broadened in the bright front, which might be caused by turbulence generated through compression or by the shocks. These results, together with the fact that the oscillation period stays almost unchanged over a long duration, lead us to propose that the surge-like oscillations above LBs are caused by shocked p-mode waves leaked from the underlying photosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

On the nonlinear temperature dependence of residual stresses in solid oxide fuel cells

The residual stresses in a dense yttria-stabilized zirconia (YSZ) layer bonded to a porous NiO-YSZ substrate were measured by X-ray diffraction in air between 25°C and 900°C. In this work, it was found that the residual stresses on the outer surface of the YSZ layer were compressive, that their magnitude increased with decreasing temperature, and that the temperature dependence was nonlinear particularly at temperatures below 600°C. An elastic model that incorporates micromechanics and laminate theory was formulated to successfully predicts the nonlinearity of the temperature dependence of the residual stresses by accounting for the effect of the order-disorder transition experienced by YSZ around 600°C and the magnetic transition of NiO at the Néel temperature around 265°C, on the properties of these materials. The implications of the results for the reliability of solid oxide fuel cells are discussed.

25 ENERGY STORAGE↗

Radiation Belt Response to Fast Reverse Shock at Geosynchronous Orbit

Fast reverse shocks (FRSs) cause the magnetosphere to expand, by contrast to the well-known compressions caused by the impact of fast forward shocks (FFS). Usually, FFSs are more geoeffective than FRSs, and consequently the inner magnetosphere dynamic responses to both shock types can be quite different. In this study, we investigate for the first time the radiation belt response to an FRS impact using multi-satellite observations and numerical simulations. Spacecraft on the dayside observed decreases in magnetic field strength and energetic (~40–475 keV) particle fluxes. Timing analysis shows that the magnetic field signature propagated from the dayside to the nightside magnetosphere. Particles with different energies vary simultaneously at each spacecraft, implying a non-dispersive particle response to the shock. Spacecraft located at lower L-shells did not record any significant signatures. The observations indicate a local time dependence of the response associated with the shock inclination, with the clearest signatures being observed in the dusk–midnight sector. Simulations underestimate the amplitude of the magnetic field variations observed on the nightside. The observed decreases in the electron intensities result from a combination of radial gradient and adiabatic effects. The radial gradients in the spectral index appear to be the dominant contributor to the observed variations of electrons seen on the dayside (near noon and dusk) and on the nightside (near midnight). This work shows that even an FRS can affect the radiation belts significantly and provides an opportunity to understand their dynamic response to a sudden expansion of the magnetosphere.

79 ASTRONOMY AND ASTROPHYSICS↗

Control of linear modes in cylindrical resistive magnetohydrodynamics with a resistive wall, plasma rotation, and complex gain

Feedback stabilization of magnetohydrodynamic (MHD) modes in a tokamak is studied in a cylindrical model with a resistive wall, plasma resistivity, viscosity, and toroidal rotation. The control is based on a linear combination of the normal and tangential components of the magnetic field just inside the resistive wall. The feedback includes complex gain, for both the normal and for the tangential components, and it is known that the imaginary part of the feedback for the former is equivalent to plasma rotation [J. M. Finn and L. Chacon, Phys. Plasmas 11, 1866 (2004)]. The work includes (1) analysis with a reduced resistive MHD model for a tokamak with finite β and with stepfunction current density and pressure profiles, and (2) computations with a full compressible visco-resistive MHD model with smooth decreasing profiles of current density and pressure. The equilibria are stable for β = 0 and the marginal stability values β{sub rp,rw} < β{sub rp,iw} < β{sub ip,rw} < β{sub ip,iw} (resistive plasma, resistive wall; resistive plasma, ideal wall; ideal plasma, resistive wall; and ideal plasma, ideal wall) are computed for both models. The main results are: (a) imaginary gain with normal sensors or plasma rotation stabilizes below β{sub rp,iw} because rotation suppresses the diffusion of flux from the plasma out through the wall and, more surprisingly, (b) rotation or imaginary gain with normal sensors destabilizes above β{sub rp,iw} because it prevents the feedback flux from entering the plasma through the resistive wall to form a virtual wall. A method of using complex gain G{sub i} to optimize in the presence of rotation in this regime with β > β{sub rp,iw} is presented. The effect of imaginary gain with tangential sensors is more complicated but essentially destabilizes above and below β{sub rp,iw}.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Plate impact experiments on DC745U cooled to ~ -60 °C

Using gas-gun driven plate impact experiments, we have measured the U S - u p Hugoniot of the silicone elastomer DC745U cooled to -60 °C. In summary, the initial density changes from p 0 (23°C) = 1.312 ± 0.010 g/cm 3 to p 0 (-60°C) = 1.447 ± 0.011 g/cm 3 . The linear U S - u p Hugoniot changes from U S = 1.62 + 1.74u p km/s at +23°C, to U S = 2.03 ± 0.06 + (2.03 ± 0.06) u p km/s at -60°C. DC745U, therefore is much stiffer at -60°C than at +23°C, probably due to the crystallization that occurs at ~ -50°C. Caveats/deficiencies: 1) This report does not provide an adequate pedigree of the DC745U used. 2) References to unpublished room temperature shock compression data on the elastomer are inadequate. 3) The report has not been fact checked by a DC745 subject matter expert.

36 MATERIALS SCIENCE↗

Sub-photospheric Shocks in Relativistic Explosions

This paper examines the mechanism of internal shocks in opaque relativistic outflows, in particular in cosmological gamma-ray bursts. The shocks produce neutrino emission and affect the observed photospheric radiation from the explosion. They develop from internal compressive waves and can be of different types depending on the composition of the outflow. (1) Shocks in “photon gas,” with negligible plasma inertia, have a unique structure determined by the force-free condition—zero radiation flux in the plasma rest frame. Radiation dominance over plasma inertia suppresses the formation of collisionless shocks mediated by collective electromagnetic fields. (2) If the outflow is sufficiently magnetized, a strong collisionless subshock develops, which is embedded in a thicker radiation-mediated structure. (3) Waves in outflows with a free neutron component lead to dissipation through nuclear collisions. At large optical depths, shocks have a thickness comparable to the neutron free path, with embedded radiation-mediated and collisionless subshocks. The paper also presents first-principles simulations of magnetized flows filled with photons, demonstrating the formation of shocks and their structure. Simple estimates show that magnetized sub-photospheric shocks are efficient producers of photons and have a great impact on the observed photospheric radiation. The shock structure changes as the outflow expands toward its photosphere. The dissipation is accompanied by strong e{sup ±} pair creation, and the e{sup ±}-dressed shock carries the photosphere with it up to two decades in radius, emitting a strong pulse of nonthermal radiation.

79 ASTRONOMY AND ASTROPHYSICS↗

Existence regimes for the formation of nonlinear dissipative structures in inhomogeneous magnetoplasmas with non-Maxwellian electrons

Nonlinear dissipative structures are studied in one and two dimensions in nonuniform magnetized plasmas with non-Maxwellian electrons. The dissipation is incorporated in the system through ion-neutral collisions. Employing the drift approximation, nonlinear drift waves are derived in 1D, whereas coupled drift-ion acoustic waves are derived in 2D in the weak nonlinearity limit. It is found that the ratio of the diamagnetic drift velocity to the velocity of nonlinear structure determines the nature (compressive or rarefactive) of the shock structure. The upper and lower bounds for velocity of the nonlinear shock structures are also found. It is noticed that the existence regimes for the drift shock waves in one and two dimensions for Cairns distributed electrons are very distinct from those with kappa distributed electrons. Interestingly, it is found that both compressive and rarefactive shock structures could be obtained for the one dimensional drift waves with kappa distributed electrons.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pressure-induced spin crossover in a Fe 78 Si 9 B 13 metallic glass

The pressure effect on structures and properties of a Fe 78 Si 9 B 13 metallic glass was investigated by in situ high-pressure synchrotron Fe Kβ x-ray emission spectroscopy and x-ray diffraction, and electrical resistivity measurements up to ~51 GPa. The study reveals a reversible and continuous pressure-induced high- to low-spin crossover of Fe atoms in an amorphous structure. The changes of the local spin moment can be scaled to match its average atomic distance shrinkage very well during compression. The crossover of electronic spin states in the Fe 78 Si 9 B 13 metallic glass resembles that of typical crystalline Fe-bearing materials but without a sharp atomic volume collapse and an abrupt electrical resistivity jump. Furthermore, these findings could help guide applications of Fe-based metallic glasses as a soft ferromagnetic material at extreme conditions and also improve our understanding of magnetism and coupling of its changes with disordered atomic structures and other properties in metallic glasses.

36 MATERIALS SCIENCE↗

Multiscale Chirping Modes Driven by Thermal Ions in a Plasma with Reactor-Relevant Ion Temperature

A thermal ion driven bursting instability with rapid frequency chirping, considered as an Alfv´enic ion temperature gradient mode, has been observed in plasmas having reactor-relevant temperature in the DIII-D tokamak. The modes are excited over a wide spatial range from macroscopic device size to micro-turbulence size and the perturbation energy propagates across multiple spatial scales. The radial mode structure is able to expand from local to global in ~ 0.1 ms and it causes magnetic topology changes in the plasma edge, which can lead to a minor disruption event. Since the mode is typically observed in the high ion temperature ≳ 10 keV and high-! plasma regime, the manifestation of the mode in future reactors should be studied with development of mitigation strategies, if needed. In conclusion, this is the first observation of destabilization of the Alfv´en continuum caused by the compressibility of ions with reactor-relevant ion temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Pressure induced modification of electronic and magnetic properties of MnCrNbAl and MnCrTaAl

Spin-gapless semiconductor (SGS) is a new class of material that has been studied recently for potential applications in spintronics. This material behaves as an insulator for one spin channel, and as a gapless semiconductor for the opposite spin. In this work, we present results of a computational study of two quaternary Heusler alloys, MnCrNbAl and MnCrTaAl that have been recently reported to exhibit spin-gapless semiconducting electronic structure. In particular, using density functional calculations we analyze the effect of external pressure on electronic and magnetic properties of these compounds. It is shown that while these two alloys exhibit nearly SGS behavior at optimal lattice constants and at negative pressure (expansion), they are half-metals at equilibrium, and magnetic semiconductors at larger lattice constant. At the same time, reduction of the unit cell volume has a detrimental effect on electronic properties of these materials, by modifying the exchange splitting of their electronic structure and ultimately destroying their half-metallic/semiconducting behavior. Thus, our results indicate that both MnCrNbAl and MnCrTaAl may be attractive for practical device applications in spin-based electronics, but a potential compression of the unit cell volume (e.g. in thin-film applications) should be avoided.

Materials Science↗

RF cavity design and qualification for proton accelerator

Alvarez type Drift Tube Linac (DTL) is used for acceleration of proton beam in low energy section of beta ranging from 0.04 to 0.40. DTL is cylindrical RF cavity resonating in TM010 mode at 352.21 MHz frequency. It consists of array of drift tubes arranged ensuring that DTL centre and Drift Tube centre are concentric. The Drift Tubes also houses Permanent Magnet Quadrupole for transverse focusing of proton beam. A twelve cell prototype of DTL section is designed, developed and fabricated at Bhabha Atomic Research Centre, Trombay. Complete DTL accelerator consists of eight such DTL sections. High frequency microwave simulations are carried out in SOPRANO, vector fields and COMSOL simulation software. This prototype DTL is 1640.56 mm long cavity with 520 mm ID, 600 mm OD and consists of eleven Drift Tubes, two RF end flanges, three slug tuners, six post couplers, three RF field monitors, one RF waveguide coupler, two DN100 vacuum flanges and DTL tank platform with alignment features. Girder based Drift tube mounting arrangement utilizing uncompressing energy of disc springs for optimum combo RF-vacuum seal compression is worked out and implemented. This paper discusses design of this RF vacuum cavity operating at high accelerating field gradient in ultra-high vacuum. Detailed vacuum design and results of RF and vacuum qualifications are discussed. Results on mechanical accuracy achieved on scaled pre-prototype are also presented. Paper summarizes the engineering developments carried out for this RF cavity and brings out the future activities proposed in indigenous development of high gradient RF cavities for ion accelerators. (author)

43 PARTICLE ACCELERATORS↗

Strongly transverse-electric-polarized emission from deep ultraviolet AlGaN quantum well light emitting diodes

The optical polarization of emission from ultraviolet (UV) light emitting diodes (LEDs) based on (0001)-oriented Al{sub x}Ga{sub 1−x}N multiple quantum wells (MQWs) has been studied by simulations and electroluminescence measurements. With increasing aluminum mole fraction in the quantum well x, the in-plane intensity of transverse-electric (TE) polarized light decreases relative to that of the transverse-magnetic polarized light, attributed to a reordering of the valence bands in Al{sub x}Ga{sub 1−x}N. Using k ⋅ p theoretical model calculations, the AlGaN MQW active region design has been optimized, yielding increased TE polarization and thus higher extraction efficiency for bottom-emitting LEDs in the deep UV spectral range. Using (i) narrow quantum wells, (ii) barriers with high aluminum mole fractions, and (iii) compressive growth on patterned aluminum nitride sapphire templates, strongly TE-polarized emission was observed at wavelengths as short as 239 nm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Compression of curium pyrrolidine-dithiocarbamate enhances covalency

Curium is unique in the actinide series because its half-filled 5f 7 shell has lower energy than other 5f n configurations, rendering it both redox-inactive and resistant to forming chemical bonds that engage the 5f shell. This is even more pronounced in gadolinium, curium’s lanthanide analogue, owing to the contraction of the 4f orbitals with respect to the 5f orbitals. However, at high pressures metallic curium undergoes a transition from localized to itinerant 5f electrons. This transition is accompanied by a crystal structure dictated by the magnetic interactions between curium atoms. Therefore, the question arises of whether the frontier metal orbitals in curium(III)–ligand interactions can also be modified by applying pressure, and thus be induced to form metal–ligand bonds with a degree of covalency. Here we report experimental and computational evidence for changes in the relative roles of the 5f/6d orbitals in curium–sulfur bonds in [Cm(pydtc) 4 ] – (pydtc, pyrrolidinedithiocarbamate) at high pressures (up to 11 gigapascals). We compare these results to the spectra of [Nd(pydtc) 4 ] – and of a Cm(III) mellitate that possesses only curium–oxygen bonds. Compared with the changes observed in the [Cm(pydtc) 4 ] – spectra, we observe smaller changes in the f–f transitions in the [Nd(pydtc) 4 ] – absorption spectrum and in the f–f emission spectrum of the Cm(III) mellitate upon pressurization, which are related to the smaller perturbation of the nature of their bonds. These results reveal that the metal orbital contributions to the curium–sulfur bonds are considerably enhanced at high pressures and that the 5f orbital involvement doubles between 0 and 11 gigapascal. Furthermore, our work implies that covalency in actinides is complex even when dealing with the same ion, but it could guide the selection of ligands to study the effect of pressure on actinide compounds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗