Effect of Resonant Radiation Transport on the Parameters of RF and DC Discharges in a He-Ar-Xe Mixture

A study is made of the effect of the transport of Xe 147-nm resonant radiation on the parameters of a low-temperature plasma of DC and RF discharges in gas mixtures used as the working medium in lasers based on infrared transitions in xenon. RF discharges are treated in the planar geometry typical of slab lasers. DC discharges in tubes are treated in cylindrical geometry. The trapping of resonant radiation is described using different approximate models: the decay time approximation for a plasma slab (the Holstein approximation) and the effective lifetime approximation (the Biberman approximation). The transport equation for resonant radiation is solved numerically. The effect of the radiation transport on both the current-voltage characteristics of a discharge and the spatial distribution of the excited Xe atoms is investigated. The current-voltage characteristics calculated for a DC discharge with allowance for the resonant radiation transport agree well with the experimental characteristics. It is found that, for an RF discharge, the effective lifetime approximation overestimates the density of the excited Xe atoms near the electrodes by several times and underestimates this density at the midplane of the discharge gap.     

Robustness of the approximate likelihood of the protracted speciation model

The protracted speciation model presents a realistic and parsimonious explanation for the observed slowdown in lineage accumulation through time, by accounting for the fact that speciation takes time. A method to compute the likelihood for this model given a phylogeny is available and allows estimation of its parameters (rate of initiation of speciation, rate of completion of speciation and extinction rate) and statistical comparison of this model to other proposed models of diversification. However, this likelihood computation method makes an approximation of the protracted speciation model to be mathematically tractable: it sometimes counts fewer species than one would do from a biological perspective. This approximation may have large consequences for likelihood‐based inferences: it may render any conclusions based on this method completely irrelevant. Here, we study to what extent this approximation affects parameter estimations. We simulated phylogenies from which we reconstructed the tree of extant species according to the original, biologically meaningful protracted speciation model and according to the approximation. We then compared the resulting parameter estimates. We found that the differences were larger for high values of extinction rates and small values of speciation‐completion rates. Indeed, a long speciation‐completion time and a high extinction rate promote the appearance of cases to which the approximation applies. However, surprisingly, the deviation introduced is largely negligible over the parameter space explored, suggesting that this approximate likelihood can be applied reliably in practice to estimate biologically relevant parameters under the original protracted speciation model.     

Electrical conductivity of a partially ionized plasma with allowance for the effect of plasma screening on the electron scattering by neutral atoms

Using linear response theory, the effect of electron-atom scattering on the electrical conductivity of a partially ionized hydrogen plasma is studied in the relevant statistical operator approximation. A relationship is analyzed between the polarization potential, which is routinely used in the problem, and the adiabatic potential, which results from the separation of electrons into bound and unbound ones. An approximation accounting for the effect of unbound electrons on the interaction between neutral and charged plasma particles is constructed. It is found that, in a high-density plasma, the parameters of the interaction of an atom with charged particles can change significantly, so these changes should be taken into account in calculating kinetic plasma properties.     

Some Approximations of the Borel-Tanner or the Generalized Poisson Distribution

This paper considers some approximations for the Borel-Tanner (Generalized Poisson) sums by using (i) Gram-Charlier Poisson expansion, (ii) Mixture of two Poisson distributions, (iii) Variance stabilizing technique, and (iv) negative binomial distribution. It has been found that the approximation obtained by using the negative binomial distribution seems to be more efficient than the other approximation.     

Improving the calculation of statistical significance in genome-wide scans

Calculations of the significance of results from linkage analysis can be performed by simulation or by theoretical approximation, with or without the assumption of perfect marker information. Here we concentrate on theoretical approximation. Our starting point is the asymptotic approximation formula presented by Lander and Kruglyak (1995, Nature Genetics, 11, 241--247), incorporating the effect of finite marker spacing as suggested by Feingold et al. (1993, American Journal of Human Genetics, 53, 234--251). We consider two distinct ways in which this formula can be improved. Firstly, we present a formula for calculating the crossover rate rho for a pedigree of general structure. For a pedigree set, these values may then be weighted into an overall crossover rate which can be used as input to the original approximation formula. Secondly, the unadjusted p -value formula is based on the assumption of a Normally distributed nonparametric linkage (NPL) score. This leads to conservative or anti-conservative p -values of varying magnitude depending on the pedigree set structure. We adjust for non-Normality by calculating the marginal distribution of the NPL score under the null hypothesis of no linkage with an arbitrarily small error. The NPL score is then transformed to have a marginal standard Normal distribution and the transformed maximal NPL score, together with a slightly corrected value of the overall crossover rate, is inserted into the original formula in order to calculate the p -value. We use pedigrees of seven different structures to compare the performance of our suggested approximation formula to the original approximation formula, with and without skewness correction, and to results found by simulation. We also apply the suggested formula to two real pedigree set structure examples. Our method generally seems to provide improved behavior, especially for pedigree sets which show clear departure from Normality, in relation to the competing approximations.     

Point Charges Optimally Placed to Represent the Multipole Expansion of Charge Distributions

We propose an approach for approximating electrostatic charge distributions with a small number of point charges to optimally represent the original charge distribution. By construction, the proposed optimal point charge approximation (OPCA) retains many of the useful properties of point multipole expansion, including the same far-field asymptotic behavior of the approximate potential. A general framework for numerically computing OPCA, for any given number of approximating charges, is described. We then derive a 2-charge practical point charge approximation, PPCA, which approximates the 2-charge OPCA via closed form analytical expressions, and test the PPCA on a set of charge distributions relevant to biomolecular modeling. We measure the accuracy of the new approximations as the RMS error in the electrostatic potential relative to that produced by the original charge distribution, at a distance the extent of the charge distribution–the mid-field. The error for the 2-charge PPCA is found to be on average 23% smaller than that of optimally placed point dipole approximation, and comparable to that of the point quadrupole approximation. The standard deviation in RMS error for the 2-charge PPCA is 53% lower than that of the optimal point dipole approximation, and comparable to that of the point quadrupole approximation. We also calculate the 3-charge OPCA for representing the gas phase quantum mechanical charge distribution of a water molecule. The electrostatic potential calculated by the 3-charge OPCA for water, in the mid-field (2.8 Å from the oxygen atom), is on average 33.3% more accurate than the potential due to the point multipole expansion up to the octupole order. Compared to a 3 point charge approximation in which the charges are placed on the atom centers, the 3-charge OPCA is seven times more accurate, by RMS error. The maximum error at the oxygen-Na distance (2.23 Å ) is half that of the point multipole expansion up to the octupole order.     

Speed of invasion in lattice population models: pair-edge approximation

 We propose a simple approach to approximating the speed of invasion in lattice population models. Approximate critical parameter values for successful invasion are then found by solving for zero wave speed. The approximation is based on describing the occupied region by the ordinary pair approximation, and using quasi-steady-state pair approximations to describe the leading edge of the wave front. We illustrate this idea using the basic contact process on the 1 and 2 dimensional lattice (with and without nearest-neighbor migration), finding very good agreement between the approximation and simulation results. The approximate critical values obtained by our approximation are significantly more accurate than those obtained by the ordinary pair approximation. Received 4 September 1996     

Simple derivation of the function of genetic information and correction of the proof

The problem of predicting time to extinction in stochastics population models is approached in two ways. First, a finite Markov chain approximation is used to give the distribution of time to extinction and shown to predict simulation results accurately. Second, an approximate numerical integration technique is found to give good relative predictions of persistence using much less computer time. The relevance of the two approaches to real problems is discussed.     

System of Kinetic Equations for Collisionless Space Plasma in the Approximation of Field-Aligned Force Equilibrium for Electrons

A system of kinetic equations describing relatively slow large-scale processes in collisionless magnetoplasma structures with a spatial resolution on the order of the proton thermal gyroradius is derived. The system correctly takes into account the electrostatic effects in the approximation of field-aligned force equilibrium for electrons. The plasma is considered quasineutral, and the magnetic field is described by the Ampère equation. The longitudinal component of the electric field is found explicitly from the equality of the field-aligned component of the electric force acting on plasma electrons and the divergence of the electron pressure tensor. The electric field component orthogonal to the magnetic field is determined by the distributions of the number densities, current densities, and stress tensors of all plasma species in the instantaneous long-range approximation described by a system of time-independent elliptic equations. Versions of the system of equations adapted to the case of magnetized electrons described by the Vlasov equation in the drift approximation, as well as to the case in which all plasma species are magnetized, are derived. The resulting systems of equations allow creating numerical models capable of describing large-scale processes in nonuniform collisionless space plasma.     

Molecular Dynamics Simulations of Proteins in Water Without the Truncation of Long-range Coulomb Interactions

A new program package (COSMOS90) for molecular dynamics simulations was developed to simulate large molecular systems consisting of more than tens of thousands of atoms without the truncation of long-range coulomb interactions. This program package was based on a new approximation scheme (PPPC) for calculating efficiently the coulomb interactions without sacrificing accuracy. In this approximation scheme, the group of charges at a long distance from each atom was represented by a total charge and total dipole moment of the group. In order to assess the accuracy of PPPC and the ability of COSMOS90, molecular dynamics simulations were carried out for a large system consisting of 16108 atoms (human lysozyme in water) for 50 ps using this program package. The coulomb energy per solute atom was calculated with only five percent of the error found in the 10 Å cut-off approximation (about 0.9 kcal/mol versus 18 kcal/mol, respectively). The molecular dynamics simulations using COSMOS90 require no more CPU time than the simulations based on the 10 Å cut-off approximation of the conventional programs for macromolecular simulations.     

A comparison of electrical and diffusion forces in the metabolism of electrolytes

Using an approximation method the electrical forces due to the metabolism of electrolytes have been compared to the ordinary diffusion forces and found negligible.     

Quantum theory of stimulated Cherenkov emission and stimulated compton scattering of electromagnetic waves by a low-density relativistic electron beam

A quantum theory of instabilities of a relativistic electron beam due to the stimulated Cherenkov effect in a dielectric and the stimulated Compton effect in vacuum is presented. The instability growth rates are found in a linear approximation and are shown to go over to the familiar growth rates in the classical approximation. A nonlinear theory of instabilities in the quantum case is developed. Analytic solutions are obtained that describe the nonlinear saturation of the amplitudes of the electromagnetic waves emitted by the beam.     

A Modification of the Edgeworth Approximation in the AR (1) Model

This paper considers the sampling distribution problem of the least squares estimator for the parameter of some special autoregressive models. The Edgeworth approximation has been derived and a modification is proposed to improve its accuracy. Comparisons with the exact distribution and the so called Edgeworth-B approximation have been discussed. The results show that the proposed approximation performs more accurately than the Edgeworth-B approximation, especially, when models are close to the non-stationary boundary.     

Determination of barrier heights and prefactors from protein folding rate data

We determine both barrier heights and prefactors for protein folding by applying constraints determined from experimental rate measurements to a Kramers theory for folding rate. The theoretical values are required to match the experimental values at two conditions of temperature and denaturant that induce the same stability. Several expressions for the prefactor in the Kramers rate equation are examined: a random energy approximation, a correlated energy approximation, and an approximation using a single Arrhenius activation energy. Barriers and prefactors are generally found to be large as a result of implementing this recipe, i.e., the folding landscape is cooperative and smooth. Interestingly, a prefactor with a single Arrhenius activation energy admits no formal solution.     

Theory and simulation of the time-dependent rate coefficients of diffusion-influenced reactions.

A general formalism is developed for calculating the time-dependent rate coefficient k(t) of an irreversible diffusion-influenced reaction. This formalism allows one to treat most factors that affect k(t), including rotational Brownian motion and conformational gating of reactant molecules and orientation constraint for product formation. At long times k(t) is shown to have the asymptotic expansion k(infinity)[1 + k(infinity) (pie Dt)-1/2 /4 pie D + ...], where D is the relative translational diffusion constant. An approximate analytical method for calculating k(t) is presented. This is based on the approximation that the probability density of the reactant pair in the reactive region keeps the equilibrium distribution but with a decreasing amplitude. The rate coefficient then is determined by the Green function in the absence of chemical reaction. Within the framework of this approximation, two general relations are obtained. The first relation allows the rate coefficient for an arbitrary amplitude of the reactivity to be found if the rate coefficient for one amplitude of the reactivity is known. The second relation allows the rate coefficient in the presence of conformational gating to be found from that in the absence of conformational gating. The ratio k(t)/k(0) is shown to be the survival probability of the reactant pair at time t starting from an initial distribution that is localized in the reactive region. This relation forms the basis of the calculation of k(t) through Brownian dynamics simulations. Two simulation procedures involving the propagation of nonreactive trajectories initiated only from the reactive region are described and illustrated on a model system. Both analytical and simulation results demonstrate the accuracy of the equilibrium-distribution approximation method.     

A contribution to the study of diffusion of neutral particles through pores

Diffusion through a flat pore into a large open region is proportional to the linear dimension of the pore and not to its area. This was first explained by Brown and Escombe (1900) for a circular pore and is here generalized, by means of a dimensional argument, to include any type of regular opening. The problem is further generalized to include diffusion through pores of finite thickness, finite distance apart, and into finite regions. Since this problem cannot be solved exactly, an approximation method is introduced. Reasons for the credibility of the approximation are presented. It is then shown, by means of the approximation method, that the diffusive flow through a pore is equal to the total concentration difference divided by the resistance of the system. The resistance, in turn, is the sum of the resistances of all portions of the system, each of which is calculated. The result is compared with results which have been calculated exactly for limiting cases and found to agree very well. The results are then applied to a standard method of computing pore size in membranes, and it is shown that the correction factor is negligible. This research was supported by the United States Air Force through the Air Force Office of Scientific Research of the Air Research and Development Command under Contract No. AF 49(638)-414. Reproduction in whole or in part is permitted for any purpose of the United States Government.     

The robustness of the weak selection approximation for the evolution of altruism against strong selection

The weak selection approximation of population genetics has made possible the analysis of social evolution under a considerable variety of biological scenarios. Despite its extensive usage, the accuracy of weak selection in predicting the emergence of altruism under limited dispersal when selection intensity increases remains unclear. Here, we derive the condition for the spread of an altruistic mutant in the infinite island model of dispersal under a Moran reproductive process and arbitrary strength of selection. The simplicity of the model allows us to compare weak and strong selection regimes analytically. Our results demonstrate that the weak selection approximation is robust to moderate increases in selection intensity and therefore provides a good approximation to understand the invasion of altruism in spatially structured population. In particular, we find that the weak selection approximation is excellent even if selection is very strong, when either migration is much stronger than selection or when patches are large. Importantly, we emphasize that the weak selection approximation provides the ideal condition for the invasion of altruism, and increasing selection intensity will impede the emergence of altruism. We discuss that this should also hold for more complicated life cycles and for culturally transmitted altruism. Using the weak selection approximation is therefore unlikely to miss out on any demographic scenario that lead to the evolution of altruism under limited dispersal.