An Arbitrary Curvilinear Coordinate Method for Particle-In-Cell Modeling

A new approach to the kinetic simulation of plasmas in complex geometries, based on the Particle-in- Cell (PIC) simulation method, is explored. In the two dimensional (2d) electrostatic version of our method, called the Arbitrary Curvilinear Coordinate PIC (ACC-PIC) method, all essential PIC operations are carried out in 2d on a uniform grid on the unit square logical domain, and mapped to a nonuniform boundary-fitted grid on the physical domain. As the resulting logical grid equations of motion are not separable, we have developed an extension of the semi-implicit Modified Leapfrog (ML) integration technique to preserve the symplectic nature of the logical grid particle mover. A generalized, curvilinear coordinate formulation of Poisson's equations to solve for the electrostatic fields on the uniform logical grid is also developed. By our formulation, we compute the plasma charge density on the logical grid based on the particles' positions on the logical domain. That is, the plasma particles are weighted to the uniform logical grid and the self-consistent mean electrostatic fields obtained from the solution of the logical grid Poisson equation are interpolated to the particle positions on the logical grid. This process eliminates the complexity associated with the weighting and interpolation processes on the nonuniform physical grid and allows us to run the PIC method on arbitrary boundary-fitted meshes.Comment: Submitted to Computational Science & Discovery December 201

Relaxation dynamics and colossal magnetocapacitive effect in CdCr2S4

A thorough investigation of the relaxational dynamics in the recently discovered multiferroic CdCr2S4 showing a colossal magnetocapacitive effect has been performed. Broadband dielectric measurements without and with external magnetic fields up to 10 T provide clear evidence that the observed magnetocapacitive effect stems from enormous changes of the relaxation dynamics induced by the development of magnetic order.Comment: 4 pages, 4 figure

Symplectic integrators with adaptive time steps

In recent decades, there have been many attempts to construct symplectic integrators with variable time steps, with rather disappointing results. In this paper we identify the causes for this lack of performance, and find that they fall into two categories. In the first, the time step is considered a function of time alone, \Delta=\Delta(t). In this case, backwards error analysis shows that while the algorithms remain symplectic, parametric instabilities arise because of resonance between oscillations of \Delta(t) and the orbital motion. In the second category the time step is a function of phase space variables \Delta=\Delta(q,p). In this case, the system of equations to be solved is analyzed by introducing a new time variable \tau with dt=\Delta(q,p) d\tau. The transformed equations are no longer in Hamiltonian form, and thus are not guaranteed to be stable even when integrated using a method which is symplectic for constant \Delta. We analyze two methods for integrating the transformed equations which do, however, preserve the structure of the original equations. The first is an extended phase space method, which has been successfully used in previous studies of adaptive time step symplectic integrators. The second, novel, method is based on a non-canonical mixed-variable generating function. Numerical trials for both of these methods show good results, without parametric instabilities or spurious growth or damping. It is then shown how to adapt the time step to an error estimate found by backward error analysis, in order to optimize the time-stepping scheme. Numerical results are obtained using this formulation and compared with other time-stepping schemes for the extended phase space symplectic method.Comment: 23 pages, 9 figures, submitted to Plasma Phys. Control. Fusio

Learning object relationships which determine the outcome of actions

Peer reviewedPublisher PD

Anisotropic Colossal Magnetoresistance Effects in Fe_{1-x}Cu_xCr_2S_4

A detailed study of the electronic transport and magnetic properties of Fe$_{1-x}$Cu$_x$Cr$_2$S$_4$ ($x \leq 0.5$) on single crystals is presented. The resistivity is investigated for $2 \leq T \leq 300$ K in magnetic fields up to 14 Tesla and under hydrostatic pressure up to 16 kbar. In addition magnetization and ferromagnetic resonance (FMR) measurements were performed. FMR and magnetization data reveal a pronounced magnetic anisotropy, which develops below the Curie temperature, $T_{\mathrm{C}}$, and increases strongly towards lower temperatures. Increasing the Cu concentration reduces this effect. At temperatures below 35 K the magnetoresistance, $MR = \frac{\rho(0) - \rho(H)}{\rho(0)}$, exhibits a strong dependence on the direction of the magnetic field, probably due to an enhanced anisotropy. Applying the field along the hard axis leads to a change of sign and a strong increase of the absolute value of the magnetoresistance. On the other hand the magnetoresistance remains positive down to lower temperatures, exhibiting a smeared out maximum with the magnetic field applied along the easy axis. The results are discussed in the ionic picture using a triple-exchange model for electron hopping as well as a half-metal utilizing a band picture.Comment: some typos correcte

Identification of Potential Sites for Tryptophan Oxidation in Recombinant Antibodies Using tert-Butylhydroperoxide and Quantitative LC-MS

Amino acid oxidation is known to affect the structure, activity, and rate of degradation of proteins. Methionine oxidation is one of the several chemical degradation pathways for recombinant antibodies. In this study, we have identified for the first time a solvent accessible tryptophan residue (Trp-32) in the complementary-determining region (CDR) of a recombinant IgG1 antibody susceptible to oxidation under real-time storage and elevated temperature conditions. The degree of light chain Trp-32 oxidation was found to be higher than the oxidation level of the conserved heavy chain Met-429 and the heavy chain Met-107 of the recombinant IgG1 antibody HER2, which have already been identified as being solvent accessible and sensitive to chemical oxidation. In order to reduce the time for simultaneous identification and functional evaluation of potential methionine and tryptophan oxidation sites, a test system employing tert-butylhydroperoxide (TBHP) and quantitative LC-MS was developed. The optimized oxidizing conditions allowed us to specifically oxidize the solvent accessible methionine and tryptophan residues that displayed significant oxidation in the real-time stability and elevated temperature study. The achieved degree of tryptophan oxidation was adequate to identify the functional consequence of the tryptophan oxidation by binding studies. In summary, the here presented approach of employing TBHP as oxidizing reagent combined with quantitative LC-MS and binding studies greatly facilitates the efficient identification and functional evaluation of methionine and tryptophan oxidation sites in the CDR of recombinant antibodies

Common ground in collaborative intelligence analysis: an empirical study

This paper reports an empirical exploration of how different configurations of collaboration technology affect peoples’ ability to construct and maintain common ground while conducting collaborative intelligence analysis work. Prior studies of collaboration technology have typically focused on simpler conversational tasks, or ones that involve physical manipulation, rather than the complex sensemaking and inference involved in intelligence work. The study explores the effects of video communication and shared visual workspace (SVW) on the negotiation of common ground by distributed teams collaborating in real time on intelligence analysis tasks. The experimental study uses a 2x2 factorial, between-subjects design involving two independent variables: presence or absence of Video and SVW. Two-member teams were randomly assigned to one of the four experimental media conditions and worked to complete several intelligence analysis tasks involving multiple, complex intelligence artefacts. Teams with access to the shared visual workspace could view their teammates’ eWhiteboards. Our results demonstrate a significant effect for the shared visual workspace: the effort of conversational grounding is reduced in the cases where SVW is available. However, there were no main effects for video and no interaction between the two variables. Also, we found that the “conversational grounding effort” required tended to decrease over the course of the tas