Equilibration of a cone: KMC simulation results

We study the equilibration of an initial surface of conic shape that consists of concentric circular monolayers by Kinetic Monte Carlo (KMC) method. The kinetic processes of attachment and/or detachment of particles to/from steps, diffusion of particles on the surface, along a step or cluster edges are considered. The difference between an up hill and down hill motion of a particle at a step are taken into account through the Ehrlich-Schwoebel (ES) barrier. The height of the cone evolves as h(0) − h(t) ~ t ^1/α where h(0) is the initial height of the surface and α is approximately 2. The ES barrier slows down the equilibration of the surface but the time dependence remains as given above. The exponent α depends neither on ES barrier nor on the temperature. The equilibration is found also to be independent of energy barrier to the motion of particles along the step edges. The number of particles in each layer except the top two circular layers is found to decrease as t ^0.57.     

Modeling of supersonic plasma flow in the scrape-off layer

The substantial drop of the plasma temperature along magnetic field lines with increasing plasma density is one of the main features in tokamak divertors. As a result the temperature gradient at the divertor plates becomes very steep and the boundary condition normally applied for the parallel Mach number M at the target, M_t = 1, cannot be satisfied. In this case the value of M_t based on the general form of the Bohm criterion, M_t  1, has to be determined from the continuity of plasma parameters.In the present paper a new approach to resolve the Mach number at the target for such a situation is proposed. This method avoids the singularity problem that arises by treating the particle balance and parallel motion equations in a differential form. Instead, the integral representation of the equations is formulated for an arbitrary form of particle and momentum sources. The approach can also take into account transport perpendicular to the magnetic field lines.The proposed method is demonstrated on the example of a one-dimensional stationary model for the scrape-off layer (SOL) plasma and includes the continuity-, parallel momentum- and heat transfer equations. The recycled neutrals are described in the diffusion approximation. In the case of low density the normal condition M_t = 1 is satisfied and the results are in agreement with the two-point model. At high enough plasma density solutions with the supersonic flow at the divertor plates, M_t > 1, are found. These states correspond to a partially detached plasma with a temperature of a few eV.     

Reinvestigation of the ground and first torsional state of methylformate

We have reinvestigated the laboratory spectrum for the methylformate HCOOCH₃ molecule involving both the ground and first excited torsional states.We have fitted within almost experimental accuracy a data set for this molecule consisting of 3496 v_t=0 and 774 v_t=1 microwave lines, using the so-called “rho axis method” (RAM) and a model extended to include perturbation terms through eighth order. The previously published microwave lines covering the J values up to 43 in the ground state and up to 18 in the first excited state have been extended by 434 new measurements from Lille in the 567–669 GHz spectral range, corresponding to transitions with J_max=62, K_max=22 in v_t=0. The final fit requires only 49 parameters to achieve a unitless weighted standard deviation of 1.43 for a total of 4270 lines for the whole fit. This result represents an improvement over the previous fit which achieved a standard deviation of 1.96 for 3862 lines using 69 parameters. A calculation of the line strengths of torsion–rotation transitions up to J = 60 needed for the astronomical survey is also provided.     

Practical Kedem-Katchalsky equations and their modification

The research problem presented in this work concerns modification of the Kedem-Katchalsky (K-K) equation for volume flow (J _v ) through system (h|M|l), consisting of a membrane M and boundary layers h and l. Such boundary layers appear in the vicinity of the membrane on both sides due to the lack of mixing of solutions. This paper also includes the derivation of the equation for volume flow (J _vr ) dissipated on concentration boundary layers h and l. The derivation of these equations concerns the case in which the substance transport through the membrane is generated by the osmotic pressure gradient . On the basis of the equations for the volume flows (J _v ) and (J _vr ), some calculations for a nephrophane membrane, used in medicine, and for aqueous glucose solutions have been carried out. In order to test the equations for (J _v ) and (J _vr ), we have also carried out calculations for the volume flow (J′ _v ) that is transferred through the membrane in the case of mixed solutions on both sides of the membrane. This volume flux has been calculated on the basis of the original (K-K) equation. The results are presented in Fig. 2.      

Super-Diffusivity in a Shear Flow Model¶from Perpetual Homogenization

This paper is concerned with the asymptotic behavior solutions of stochastic differential equations dy _t =dω _t −∇Γ(y _t ) dt, y ₀=0 and d=2. Γ is a 2 &\times; 2 skew-symmetric matrix associated to a shear flow characterized by an infinite number of spatial scales Γ₁₂=−Γ₂₁=h(x ₁), with h(x ₁)=∑ _{n =0} ^∞γ _n h ⁿ (x ₁/R _n ), where h ⁿ are smooth functions of period 1, h ⁿ (0)=0, γ _n and R _n grow exponentially fast with n. We can show that y ^t has an anomalous fast behavior (?[|y ^t |²]∼t ^1+ν with ν > 0) and obtain quantitative estimates on the anomaly using and developing the tools of homogenization. Received: 1 June 2001 / Accepted: 11 January 2002     

Existence and Modulation of Uniform Sliding States in Driven and Overdamped Particle Chains

In this paper we are mainly concerned with existence and modulation of uniform sliding states for particle chains with damping γ and external driving force F. If the on-site potential vanishes, then for each F > 0 there exist trivial uniform sliding states x _n (t) = n ω + ν t + α for which the particles are uniformly spaced with spacing ω > 0, the sliding velocity of each particle is ν = F/γ, and the phase α is arbitrary. If the particle chain with convex interaction potential is placed in a periodic on-site potential, we show under some conditions the existence of modulated uniform sliding states of the form

High resolution FTIR spectroscopy of pentafluoroethane: perturbations in the Coriolis doublet of ν4 and ν13

The FTIR spectrum of pentafluoroethane (R125) was measured in the mid infrared region from 900 to 4000 cm⁻¹. Vibrational assignments for R125 are revised by comparison of previous and current experimental data with ab initio calculations at both the MP2/6-311+(d,p) and B3LYP/TZV+(3df,3p) levels of theory. High resolution FTIR spectra were recorded at room temperature and in an enclosive flow cell at a rotational temperature of 140 K. The cold spectrum was sufficiently resolved to enable rovibrational analyses of the overlapping ν₄ (1200.7341 cm⁻¹) and ν₁₃ (1223.3 cm⁻¹) bands, which have a/c hybrid and b-type character, respectively. Ground state combination differences were used to confirm assignment of 2375 lines to ν₄ (J_max = 86, K_{a max} = 50) and 2921 lines to ν₁₃ (J_max = 60, K_{a max} = 54). Effective rotational and centrifugal distortion constants were determined for ν₄, and the polarization ratio was found to be . Severe Coriolis perturbations prevent any satisfactory fit to the ν₁₃ band.     

Fourier transform spectroscopy of the CO-stretching band of O-18 methanol

The high-resolution Fourier transform spectrum of the ν₈ CO-stretching band of CH₃¹⁸OH between 900 and 1100 cm⁻¹ has been recorded at the Canadian Light Source (CLS) synchrotron facility in Saskatoon, and the majority of the torsion-rotation structure has been analyzed. For the ν_t = 0 torsional ground state, subbands have been identified for K values from 0 to 11 for A and E torsional symmetries up to J values typically well over 30. For ν_t = 1, A and E subbands have been assigned up to K = 7, and several ν_t = 2 subbands have also been identified. Upper-state term values determined from the assigned transitions using the Ritz program have been fitted to J(J + 1) power-series expansions to obtain substate origins and sets of state-specific parameters giving a compact representation of the substate J-dependence. The ν_t = 0 subband origins have been fitted to effective molecular constants for the excited CO-stretching state and a torsional barrier of 377.49(32) cm⁻¹ is found, representing a 0.89% increase over the ground-state value. The vibrational energy for the CO-stretch state was found to be 1007.49(7) cm⁻¹. A number of subband-wide and J-localized perturbations have been seen in the spectrum, arising both from anharmonic and Coriolis interactions, and several of the interacting states have been identified.     

Universality of the Break-up Profile for the KdV Equation in the Small Dispersion Limit Using the Riemann-Hilbert Approach

We obtain an asymptotic expansion for the solution of the Cauchy problem for the Korteweg-de Vries (KdV) equation

Sharp Convergence Rate of the Glimm Scheme for General Nonlinear Hyperbolic Systems

Consider a general strictly hyperbolic, quasilinear system, in one space dimesion

On the Massive Wave Equation on Slowly Rotating Kerr-AdS Spacetimes

The massive wave equation ${\square_{g}\psi - \alpha \frac{\Lambda}{3}\psi = 0}The massive wave equation \square_gy- a\fracL3y = 0{\square_{g}\psi - \alpha \frac{\Lambda}{3}\psi = 0} is studied on a fixed Kerr-anti de Sitter background (M,g_M,a,L){\left(\mathcal{M},g_{M,a,\Lambda}\right)}. We first prove that in the Schwarzschild case (a = 0), ψ remains uniformly bounded on the black hole exterior provided that a < \frac94{\alpha < \frac{9}{4}}, i.e. the Breitenlohner-Freedman bound holds. Our proof is based on vectorfield multipliers and commutators: The total flux of the usual energy current arising from the timelike Killing vector field T (which fails to be non-negative pointwise) is shown to be non-negative with the help of a Hardy inequality after integration over a spacelike slice. In addition to T, we construct a vectorfield whose energy identity captures the redshift producing good estimates close to the horizon. The argument is finally generalized to slowly rotating Kerr-AdS backgrounds. This is achieved by replacing the Killing vectorfield T = ∂ _t with K=?_t + l?_f{K=\partial_t + \lambda \partial_\phi} for an appropriate λ ~ a, which is also Killing and–in contrast to the asymptotically flat case–everywhere causal on the black hole exterior. The separability properties of the wave equation on Kerr-AdS are not used. As a consequence, the theorem also applies to spacetimes sufficiently close to the Kerr-AdS spacetime, as long as they admit a causal Killing field K which is null on the horizon.     

Modeling of supersonic plasma flow in the scrape-off layer

The substantial drop of the plasma temperature along magnetic field lines with increasing plasma density is one of the main features in tokamak divertors. As a result the temperature gradient at the divertor plates becomes very steep and the boundary condition normally applied for the parallel Mach number M at the target, M_t = 1, cannot be satisfied. In this case the value of M_t based on the general form of the Bohm criterion, M_t ⩾ 1, has to be determined from the continuity of plasma parameters.In the present paper a new approach to resolve the Mach number at the target for such a situation is proposed. This method avoids the singularity problem that arises by treating the particle balance and parallel motion equations in a differential form. Instead, the integral representation of the equations is formulated for an arbitrary form of particle and momentum sources. The approach can also take into account transport perpendicular to the magnetic field lines.The proposed method is demonstrated on the example of a one-dimensional stationary model for the scrape-off layer (SOL) plasma and includes the continuity-, parallel momentum- and heat transfer equations. The recycled neutrals are described in the diffusion approximation. In the case of low density the normal condition M_t = 1 is satisfied and the results are in agreement with the two-point model. At high enough plasma density solutions with the supersonic flow at the divertor plates, M_t > 1, are found. These states correspond to a partially detached plasma with a temperature of a few eV.     

Distribution of a Particle’s Position in the ASEP with the Alternating Initial Condition

In this paper we give the distribution of the position of a particle in the asymmetric simple exclusion process (ASEP) with the alternating initial condition. That is, we find ℙ(X _m (t)≤x) where X _m (t) is the position of the particle at time t which was at m=2k−1, k∈ℤ at t=0. As in the ASEP with step initial condition, there arises a new combinatorial identity for the alternating initial condition, and this identity relates the integrand of the integral formula for ℙ(X _m (t)≤x) to a determinantal form together with an extra product.     

A Fuchsian Matrix Differential Equation for Selberg Correlation Integrals

We characterize averages of ?_l=1^N|x - t_l|^{a- 1}{\prod_{l=1}^N|x - t_l|^{\alpha - 1}} with respect to the Selberg density, further constrained so that t_l ? [0,x] (l=1,...,q){t_l \in [0,x] (l=1,\dots,q)} and t_l ? [x,1] (l=q+1,...,N){t_l \in [x,1] (l=q+1,\dots,N)} , in terms of a basis of solutions of a particular Fuchsian matrix differential equation. By making use of the Dotsenko-Fateev integrals, the explicit form of the connection matrix from the Frobenius type power series basis to this basis is calculated, thus allowing us to explicitly compute coefficients in the power series expansion of the averages. From these we are able to compute power series for the marginal distributions of the t_j (j=1,...,N){t_j (j=1,\dots,N)} . In the case q = 0 and α < 1 we compute the explicit leading order term in the x ? 0{x \to 0} asymptotic expansion, which is of interest to the study of an effect known as singularity dominated strong fluctuations. In the case q = 0 and a ? \mathbbZ⁺{\alpha \in \mathbb{Z}^+} , and with the absolute values removed, the average is a polynomial, and we demonstrate that its zeros are highly structured.     

High-resolution infrared study of the 2ν3 (A1, E) and ν1 + ν3 (E) bands of NF3

The 2ν₃ overtone (A₁, E) and the ν₁ + ν₃ (E) combination bands of the oblate symmetric top ¹⁴NF₃ were studied by FTIR spectroscopy with a resolution of 2.5 × 10⁻³ cm⁻¹. Nearly 500 lines up to K_max/J_max = 30/43 were observed for the weak A₁ component reaching the v₃ = 2⁰ substate (1803.1302 cm⁻¹), the majority of which corresponded to reinforced K = 3p-type transitions. For the strong E component reaching the v₃ = 2^±2 substate (1810.4239 cm⁻¹), about 3550 transitions were assigned up to K_max/J_max = 65/69, favoring a clear observation of the ℓ(4, −2) and ℓ(4, 4) splittings within the kℓ = −2 and +4 sublevels, respectively. The two v₃ = 2 substates are linked by the ℓ(2, 2)- and ℓ(2, −1)-type interactions, providing severe crossings, respectively, at K′ = 6 and near K′ = 24 on the v₃ = 2⁺² side. A model working in the D-reduction and including all these ℓ-type interactions could reproduce together 3695 nonzero weighted experimental data (NZW) through 33 free parameters with a standard deviation of σ = 0.357 × 10⁻³  cm⁻¹. As for the ν₁ + ν₃ (E) combination band, about 3690 lines were assigned up to K_max/J_max = 45/55. Its v₁ = v₃ = 1 upper state (1931.577 5 cm⁻¹) was treated using the same model recently applied to the v₃ = 1 (E, 907.5413 cm⁻¹) state. It yielded 21 free parameters through 3282 NZW experimental data, adjusted with σ = 0.344 × 10⁻³  cm⁻¹ in the D-reduction. For the two excited states, the small and unobserved ℓ(0, 6) interaction was tested as useless. To confirm the adequacy of the vibrationally isolated models used, some other reductions of the Hamiltonian were tried. For the v₃ = 2 state, the D-, L-, and LD-reductions led to similar σ’s, while the Q one was not successful. For the v₁ = v₃ = 1 state, the D- and Q-reductions gave comparable σ’s, while the QD-reduction was not as good. The corresponding unitary equivalence relations are generally more nicely fulfilled for the v₃ = 2 state than for the v₁ = v₃ = 1 state. The three derivable anharmonicity constants in cm⁻¹ are x₃₃ = −4.1528, g₃₃ = +1.8235 and x₁₃ = −7.9652.     

Transport Equation Evaluation of Coupled Continuous Time Random Walks

The transport behavior of a migrating particle in a disordered medium is exhibited in the solution of a transport equation derived from a coupled continuous time random walk (CTRW). A core aspect of CTRW is the spectrum of transitions in displacement s and time t, ψ(s,t), that characterizes the disordered system, which determine the transport. In many applications the CTRW approach has successfully accounted for the anomalous or non-Fickian nature of the particle plume propagation based on a power-law dependence ψ(t) in a decoupled p(s)ψ(t) approximation to ψ(s,t). For example, this power-law dependence in t derives from the complex Darcy flow fields in geological formations. Recently, the fully coupled CTRW was analyzed using a particle tracking approach, demonstrating that the decoupled approximation is valid only for a compact distribution of s. In this paper we solve the nonlocal-in-time transport equation with a ψ(s,t) containing a power-law dependence in both s (a Lévy-like distribution) and t, which necessitates the strong s,t coupling. We show enhanced transport behavior (relative to the plume propagation behavior reported in the literature) that derives from the rare large displacements in s (limited by the transition t). The interplay between the two coupled power laws is clearly shown in the changes in the breakthrough curves in the arrival times, dispersion and dependence on the velocity (v=s/t) distribution. Similar enhancements are exhibited in the particle tracking results.     

Effect of the Dzyaloshinskii-Moriya interaction on heat conductivity in one-dimensional quantum Ising chains

The effect of the Dzyaloshinskii-Moriya (DM) interaction on the heat conduction in the quantum Ising chain has been studied by solving the Lindblad master equation. The chain is subject to a uniform transverse field h, while the exchange couplings {J _m } between the nearest-neighbor spins are either uniform, random or quasi-periodic. The average energy-density profile and the average energy current in the non-equilibrium steady state have been numerically calculated. The ballistic transport is observed in the uniform Ising chain with DM interaction. For the random Ising chain with DM interaction, the energy gradient is observed in the bulk of the spin chain whose energy current appears to scale as the system size ⟨Q⟩ ∼ exp(βN) with β < 0. For the quasi-periodic Ising chain with DM interaction, the J _m takes the two values J _A and J _B arranged in the Fibonacci sequence. The energy gradient also exists in the spin chain and the energy current behaves as ⟨Q⟩ ∼ N ^α with α < 0. By increasing the strength of the DM interaction D, a non-trivial transition from the thermal insulator heat transport to anomalous heat conduction is found in the Fibonacci Ising chain with large ratio of couplings λ = J _A /J _B . A rough phase diagram of λ vs. D is given in this paper as well.     

Collapse transition of a two-dimensional lattice animal

The phase diagram and the tricritical point of a collapsing lattice animal are studied through an extended series expansion of the isothermal compressibilityK _T on a square lattice. As a function of the variables of fugacity and Boltzmann weight,K _T is investigated using partial differential approximant techniques. The characteristic flow pattern of partial differential approximant trajectories is determined for a stable fixed point. We obtain satisfactory estimates for the tricritical fugacityx _t =0.024±0.005 and temperatureT _t =0.54±0.04. Taking into account only linear scaling fields, we are also able to get the scaling exponent =1.4±0.2 and the crossover =0.66±0.08. Our results are in reasonable agreement with previous estimates in the literature.     

Modulated Phase of a Potts Model with Competing Binary Interactions on a Cayley Tree

We study the phase diagram for Potts model on a Cayley tree with competing nearest-neighbor interactions J ₁, prolonged next-nearest-neighbor interactions J _p and one-level next-nearest-neighbor interactions J _o . Vannimenus proved that the phase diagram of Ising model with J _o =0 contains a modulated phase, as found for similar models on periodic lattices, but the multicritical Lifshitz point is at zero temperature. Later Mariz et al. generalized this result for Ising model with J _o ≠0 and recently Ganikhodjaev et al. proved similar result for the three-state Potts model with J _o =0. We consider Potts model with J _o ≠0 and show that for some values of J _o the multicritical Lifshitz point be at non-zero temperature. We also prove that as soon as the same-level interactionJ _o is nonzero, the paramagnetic phase found at high temperatures for J _o =0 disappears, while Ising model does not obtain such property. To perform this study, an iterative scheme similar to that appearing in real space renormalization group frameworks is established; it recovers, as particular case, previous work by Ganikhodjaev et al. for J _o =0. At vanishing temperature, the phase diagram is fully determined for all values and signs of J ₁,J _p and J _o . At finite temperatures several interesting features are exhibited for typical values of J _o /J ₁.     

High-resolution FTIR spectroscopy of HNSO—Analysis of the highly perturbed ν4, ν6 and 2ν5 bands

We report a rovibrational analysis of the ν₄ and ν₆ fundamentals and the 2ν₅ overtone of HNSO from high-resolution Fourier transform infrared spectra. The ν₆ band (out-of-plane bend) centred at 757.5 cm⁻¹ is c-type. The ν₄ band (HNS bend) centred at 905.9 cm⁻¹ is predominantly a-type with a very weak b-type component (). Numerous global perturbations and localized avoided crossings affecting the v₄ = 1 rotational levels were successfully treated by inclusion of Fermi and c-axis Coriolis resonance terms between v₄ = 1 and v₅ = 2, and a b-axis Coriolis resonance term between v₄ = 1 and v₆ = 1. The latter term gives rise to an avoided crossing with an extraordinary ΔK_a = 5 selection rule. The Fermi resonance between v₄ = 1 and v₅ = 2 gives rise to strong mixing of their rotational wavefunctions in the vicinity of K_a = 18. The resultant borrowing of intensity made it possible for 2ν₅ transitions in the range K_a = 16–19 to be assigned and included in a global rovibrational treatment of all three band systems.