Molecular line radiative transfer in protoplanetary disks: Monte Carlo simulations versus approximate methods

We analyze the line radiative transfer in protoplanetary disks using several approximate methods and a well-tested Accelerated Monte Carlo code. A low-mass flaring disk model with uniform as well as stratified molecular abundances is adopted. Radiative transfer in low and high rotational lines of CO, C18O, HCO+, DCO+, HCN, CS, and H2CO is simulated. The corresponding excitation temperatures, synthetic spectra, and channel maps are derived and compared to the results of the Monte Carlo calculations. A simple scheme that describes the conditions of the line excitation for a chosen molecular transition is elaborated. We find that the simple LTE approach can safely be applied for the low molecular transitions only, while it significantly overestimates the intensities of the upper lines. In contrast, the Full Escape Probability (FEP) approximation can safely be used for the upper transitions (J_{\rm up} \ga 3) but it is not appropriate for the lowest transitions because of the maser effect. In general, the molecular lines in protoplanetary disks are partly subthermally excited and require more sophisticated approximate line radiative transfer methods. We analyze a number of approximate methods, namely, LVG, VEP (Vertical Escape Probability) and VOR (Vertical One Ray) and discuss their algorithms in detail. In addition, two modifications to the canonical Monte Carlo algorithm that allow a significant speed up of the line radiative transfer modeling in rotating configurations by a factor of 10--50 are described.Comment: 47 pages, 12 figures, accepted for publication in Ap

Corner and finger formation in Hele--Shaw flow with kinetic undercooling regularisation

We examine the effect of a kinetic undercooling condition on the evolution of a free boundary in Hele--Shaw flow, in both bubble and channel geometries. We present analytical and numerical evidence that the bubble boundary is unstable and may develop one or more corners in finite time, for both expansion and contraction cases. This loss of regularity is interesting because it occurs regardless of whether the less viscous fluid is displacing the more viscous fluid, or vice versa. We show that small contracting bubbles are described to leading order by a well-studied geometric flow rule. Exact solutions to this asymptotic problem continue past the corner formation until the bubble contracts to a point as a slit in the limit. Lastly, we consider the evolving boundary with kinetic undercooling in a Saffman--Taylor channel geometry. The boundary may either form corners in finite time, or evolve to a single long finger travelling at constant speed, depending on the strength of kinetic undercooling. We demonstrate these two different behaviours numerically. For the travelling finger, we present results of a numerical solution method similar to that used to demonstrate the selection of discrete fingers by surface tension. With kinetic undercooling, a continuum of corner-free travelling fingers exists for any finger width above a critical value, which goes to zero as the kinetic undercooling vanishes. We have not been able to compute the discrete family of analytic solutions, predicted by previous asymptotic analysis, because the numerical scheme cannot distinguish between solutions characterised by analytic fingers and those which are corner-free but non-analytic

High-Order Coupled Cluster Method (CCM) Calculations for Quantum Magnets with Valence-Bond Ground States

In this article, we prove that exact representations of dimer and plaquette valence-bond ket ground states for quantum Heisenberg antiferromagnets may be formed via the usual coupled cluster method (CCM) from independent-spin product (e.g. N\'eel) model states. We show that we are able to provide good results for both the ground-state energy and the sublattice magnetization for dimer and plaquette valence-bond phases within the CCM. As a first example, we investigate the spin-half $J_1$--$J_2$ model for the linear chain, and we show that we are able to reproduce exactly the dimerized ground (ket) state at $J_2/J_1=0.5$. The dimerized phase is stable over a range of values for $J_2/J_1$ around 0.5. We present evidence of symmetry breaking by considering the ket- and bra-state correlation coefficients as a function of $J_2/J_1$. We then consider the Shastry-Sutherland model and demonstrate that the CCM can span the correct ground states in both the N\'eel and the dimerized phases. Finally, we consider a spin-half system with nearest-neighbor bonds for an underlying lattice corresponding to the magnetic material CaV$_4$O$_9$ (CAVO). We show that we are able to provide excellent results for the ground-state energy in each of the plaquette-ordered, N\'eel-ordered, and dimerized regimes of this model. The exact plaquette and dimer ground states are reproduced by the CCM ket state in their relevant limits.Comment: 34 pages, 13 figures, 2 table

RODEO: a new method for planet-disk interaction

In this paper we describe a new method for studying the hydrodynamical problem of a planet embedded in a gaseous disk. We use a finite volume method with an approximate Riemann solver (the Roe solver), together with a special way to integrate the source terms. This new source term integration scheme sheds new light on the Coriolis instability, and we show that our method does not suffer from this instability. The first results on flow structure and gap formation are presented, as well as accretion and migration rates. For Mpl < 0.1 M_J and Mpl > 1.0 M_J (M_J = Jupiter's mass) the accretion rates do not depend sensitively on numerical parameters, and we find that within the disk's lifetime a planet can grow to 3-4 M_J. In between these two limits numerics play a major role, leading to differences of more than 50 % for different numerical parameters. Migration rates are not affected by numerics at all as long as the mass inside the Roche lobe is not considered. We can reproduce the Type I and Type II migration for low-mass and high-mass planets, respectively, and the fastest moving planet of 0.1 M_J has a migration time of only 2.0 10^4 yr.Comment: Accepted for publication in A&

Efficient Reactive Brownian Dynamics

We develop a Split Reactive Brownian Dynamics (SRBD) algorithm for particle simulations of reaction-diffusion systems based on the Doi or volume reactivity model, in which pairs of particles react with a specified Poisson rate if they are closer than a chosen reactive distance. In our Doi model, we ensure that the microscopic reaction rules for various association and disassociation reactions are consistent with detailed balance (time reversibility) at thermodynamic equilibrium. The SRBD algorithm uses Strang splitting in time to separate reaction and diffusion, and solves both the diffusion-only and reaction-only subproblems exactly, even at high packing densities. To efficiently process reactions without uncontrolled approximations, SRBD employs an event-driven algorithm that processes reactions in a time-ordered sequence over the duration of the time step. A grid of cells with size larger than all of the reactive distances is used to schedule and process the reactions, but unlike traditional grid-based methods such as Reaction-Diffusion Master Equation (RDME) algorithms, the results of SRBD are statistically independent of the size of the grid used to accelerate the processing of reactions. We use the SRBD algorithm to compute the effective macroscopic reaction rate for both reaction- and diffusion-limited irreversible association in three dimensions. We also study long-time tails in the time correlation functions for reversible association at thermodynamic equilibrium. Finally, we compare different particle and continuum methods on a model exhibiting a Turing-like instability and pattern formation. We find that for models in which particles diffuse off lattice, such as the Doi model, reactions lead to a spurious enhancement of the effective diffusion coefficients.Comment: To appear in J. Chem. Phy

A sandpile model for proportionate growth

An interesting feature of growth in animals is that different parts of the body grow at approximately the same rate. This property is called proportionate growth. In this paper, we review our recent work on patterns formed by adding $N$ grains at a single site in the abelian sandpile model. These simple models show very intricate patterns, show proportionate growth, and sometimes having a striking resemblance to natural forms. We give several examples of such patterns. We discuss the special cases where the asymptotic pattern can be determined exactly. The effect of noise in the background or in the rules on the patterns is also discussed.Comment: 18 pages, 14 figures, to appear in a special issue of JSTAT dedicated to Statphys2

Trimer-Monomer Mixture Problem on (111) 1×11 \times 1 Surface of Diamond Structure

We consider a system of trimers and monomers on the triangular lattice, which describes the adsorption problem on (111) $1 \times 1$ surface of diamond structure. We give a mapping to a 3-state vertex model on the square lattice. We treat the problem by the transfer-matrix method combined with the density-matrix algorithm, to obtain thermodynamic quantities.Comment: 9 pages, 7 figures, PTPTeX ver. 1.0. To appear Progress of Theoretical Physics, Jan. 2001. http://www2.yukawa.kyoto-u.ac.jp/~ptpwww/ (Full Access