Vibrationally induced fourth-order magnetic anisotropy and tunnel splittings in Mn_{12}

From density-functional-theory (DFT) based methods we calculate the vibrational spectrum of the Mn_{12}O_{12}(COOH)_{16}(H_2 O)_4 molecular magnet. Calculated infrared intensities are in accord with experimental studies. There have been no ab initio attempts at determining which interactions account for the fourth-order anisotropy. We show that vibrationally induced distortions of the molecule contribute to the fourth-order anisotropy Hamiltonian and that the magnitude and sign of the effect (-6.2 K) is in good agreement with all experiments. Vibrationally induced tunnel splittings in isotopically pure and natural samples are predicted.Comment: corres. author: [email protected] 4 pages, final version, accepted PR

Multi-Dimensional Astrophysical Structural and Dynamical Analysis I. Development of a Nonlinear Finite Element Approach

A new field of numerical astrophysics is introduced which addresses the solution of large, multidimensional structural or slowly-evolving problems (rotating stars, interacting binaries, thick advective accretion disks, four dimensional spacetimes, etc.). The technique employed is the Finite Element Method (FEM), commonly used to solve engineering structural problems. The approach developed herein has the following key features: 1. The computational mesh can extend into the time dimension, as well as space, perhaps only a few cells, or throughout spacetime. 2. Virtually all equations describing the astrophysics of continuous media, including the field equations, can be written in a compact form similar to that routinely solved by most engineering finite element codes. 3. The transformations that occur naturally in the four-dimensional FEM possess both coordinate and boost features, such that (a) although the computational mesh may have a complex, non-analytic, curvilinear structure, the physical equations still can be written in a simple coordinate system independent of the mesh geometry. (b) if the mesh has a complex flow velocity with respect to coordinate space, the transformations will form the proper arbitrary Lagrangian- Eulerian advective derivatives automatically. 4. The complex difference equations on the arbitrary curvilinear grid are generated automatically from encoded differential equations. This first paper concentrates on developing a robust and widely-applicable set of techniques using the nonlinear FEM and presents some examples.Comment: 28 pages, 9 figures; added integral boundary conditions, allowing very rapidly-rotating stars; accepted for publication in Ap.

Comment on Viscous Stability of Relativistic Keplerian Accretion Disks

Recently Ghosh (1998) reported a new regime of instability in Keplerian accretion disks which is caused by relativistic effects. This instability appears in the gas pressure dominated region when all relativistic corrections to the disk structure equations are taken into account. We show that he uses the stability criterion in completely wrong way leading to inappropriate conclusions. We perform a standard stability analysis to show that no unstable region can be found when the relativistic disk is gas pressure dominated.Comment: 9 pages, 4 figures, uses aasms4.sty, submitted for ApJ Letter

Analysis and Implementation of Recovery-Based Discontinuous Galerkin for Diffusion

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/76575/1/AIAA-2009-3786-303.pd

Optimal multistage schemes for Euler equations with residual smoothing

Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/76583/1/AIAA-12860-858.pd

High Order Upwind Schemes for Multidimensional Magnetohydrodynamics

A general method for constructing high order upwind schemes for multidimensional magnetohydrodynamics (MHD), having as a main built-in condition the divergence-free constraint \divb=0 for the magnetic field vector \bb, is proposed. The suggested procedure is based on {\em consistency} arguments, by taking into account the specific operator structure of MHD equations with respect to the reference Euler equations of gas-dynamics. This approach leads in a natural way to a staggered representation of the \bb field numerical data where the divergence-free condition in the cell-averaged form, corresponding to second order accurate numerical derivatives, is exactly fulfilled. To extend this property to higher order schemes, we then give general prescriptions to satisfy a $(r+1)^{th}$ order accurate \divb=0 relation for any numerical \bb field having a $r^{th}$ order interpolation accuracy. Consistency arguments lead also to a proper formulation of the upwind procedures needed to integrate the induction equations, assuring the exact conservation in time of the divergence-free condition and the related continuity properties for the \bb vector components. As an application, a third order code to simulate multidimensional MHD flows of astrophysical interest is developed using ENO-based reconstruction algorithms. Several test problems to illustrate and validate the proposed approach are finally presented.Comment: 34 pages, including 14 figure

Solving One Dimensional Scalar Conservation Laws by Particle Management

We present a meshfree numerical solver for scalar conservation laws in one space dimension. Points representing the solution are moved according to their characteristic velocities. Particle interaction is resolved by purely local particle management. Since no global remeshing is required, shocks stay sharp and propagate at the correct speed, while rarefaction waves are created where appropriate. The method is TVD, entropy decreasing, exactly conservative, and has no numerical dissipation. Difficulties involving transonic points do not occur, however inflection points of the flux function pose a slight challenge, which can be overcome by a special treatment. Away from shocks the method is second order accurate, while shocks are resolved with first order accuracy. A postprocessing step can recover the second order accuracy. The method is compared to CLAWPACK in test cases and is found to yield an increase in accuracy for comparable resolutions.Comment: 15 pages, 6 figures. Submitted to proceedings of the Fourth International Workshop Meshfree Methods for Partial Differential Equation

Dispersive wave runup on non-uniform shores

Historically the finite volume methods have been developed for the numerical integration of conservation laws. In this study we present some recent results on the application of such schemes to dispersive PDEs. Namely, we solve numerically a representative of Boussinesq type equations in view of important applications to the coastal hydrodynamics. Numerical results of the runup of a moderate wave onto a non-uniform beach are presented along with great lines of the employed numerical method (see D. Dutykh et al. (2011) for more details).Comment: 8 pages, 6 figures, 18 references. This preprint is submitted to FVCA6 conference proceedings. Other author papers can be downloaded at http://www.lama.univ-savoie.fr/~dutykh

Athena: A New Code for Astrophysical MHD

A new code for astrophysical magnetohydrodynamics (MHD) is described. The code has been designed to be easily extensible for use with static and adaptive mesh refinement. It combines higher-order Godunov methods with the constrained transport (CT) technique to enforce the divergence-free constraint on the magnetic field. Discretization is based on cell-centered volume-averages for mass, momentum, and energy, and face-centered area-averages for the magnetic field. Novel features of the algorithm include (1) a consistent framework for computing the time- and edge-averaged electric fields used by CT to evolve the magnetic field from the time- and area-averaged Godunov fluxes, (2) the extension to MHD of spatial reconstruction schemes that involve a dimensionally-split time advance, and (3) the extension to MHD of two different dimensionally-unsplit integration methods. Implementation of the algorithm in both C and Fortran95 is detailed, including strategies for parallelization using domain decomposition. Results from a test suite which includes problems in one-, two-, and three-dimensions for both hydrodynamics and MHD are given, not only to demonstrate the fidelity of the algorithms, but also to enable comparisons to other methods. The source code is freely available for download on the web.Comment: 61 pages, 36 figures. accepted by ApJ