A comment on the consistency of truncated nonlinear integral equation based theories of freezing

We report the results of two studies of aspects of the consistency of truncated nonlinear integral equation based theories of freezing: (i) We show that the self-consistent solutions to these nonlinear equations are unfortunately sensitive to the level of truncation. For the hard sphere system, if the Wertheim–Thiele representation of the pair direct correlation function is used, the inclusion of part but not all of the triplet direct correlation function contribution, as has been common, worsens the predictions considerably. We also show that the convergence of the solutions found, with respect to number of reciprocal lattice vectors kept in the Fourier expansion of the crystal singlet density, is slow. These conclusions imply great sensitivity to the quality of the pair direct correlation function employed in the theory. (ii) We show the direct correlation function based and the pair correlation function based theories of freezing can be cast into a form which requires solution of isomorphous nonlinear integral equations. However, in the pair correlation function theory the usual neglect of the influence of inhomogeneity of the density distribution on the pair correlation function is shown to be inconsistent to the lowest order in the change of density on freezing, and to lead to erroneous predictions. The Journal of Chemical Physics is copyrighted by The American Institute of Physics.

Pig effluent-P application can increase risk of P transport: two case studies

Land application of piggery effluent (containing urine, faeces, water, and wasted feed) is under close scrutiny as a potential source of water resource contamination with phosphorus (P). This paper investigates two case studies of the impact of long-term piggery effluent-P application to soil. A Natrustalf (Sodosol) at P1 has received a net load of 3700 kg effluent P/ha over 19 years. The Haplustalf (Dermosol) selected (P2) has received a net load of 310 000 kg P/ha over 30 years. Total, bicarbonate extractable, and soluble P forms were determined throughout the soil profiles for paired (irrigated and unirrigated) sites at P1 and P2, as well as P sorption and desorption characteristics. Surface bicarbonate (PB, 0 - 0.05 m depth) and dilute CaCl2 extractable molybdate-reactive P (PC) have been significantly elevated by effluent irrigation (P1: PB unirrigated 23±1, irrigated 290±6; PC unirrigated 0.03±0.00, irrigated 23.9±0.2. P2: PB unirrigated 72±48, irrigated 3950±1960; PC unirrigated 0.7±0.0, irrigated 443±287 mg P/kg; mean±s.d.). Phosphorus enrichment to 1.5 m, detected as PB, was observed at P2. Elevated concentrations of CaCl2 extractable organic P forms (POC; estimated by non-molybdate reactive P in centrifuged supernatants) were observed from the soil surface of P1 to a depth of 0.4 m. Despite the extent of effluent application at both of these sites, only P1 displayed evidence of significant accumulation of POC. The increase in surface soil total P (0 - 0.05 m depth) due to effluent irrigation was much greater than laboratory P sorption (>25 times for P1; >57 times for P2) for a comparable range of final solution concentrations (desorption extracts ranged from 1-5 mg P/L for P1 and 50-80 mg P/L for P2). Precipitation of sparingly soluble P phases was evidenced in the soils of the P2 effluent application area.

Co-induction of sucrose transport and invertase activities in a thermophilic fungus,Thermomyces lanuginosus

The incorporation of sucrose into the thermophilic fungus,Thermomyces lanuginosus, occurred only in mycelia previously exposed to sucrose or raffinose. Sucrose uptake and invertase were inducible. Both activities appeared in sucrose-induced mycelia at about the same time. Both activities declined almost simultaneously following the exhaustion of sucrose in the medium. The sucrose-induced uptake system was specific for \beta -fructofuranosides as revealed by competition with various sugars. The induction of sucrose uptake system was blocked by cycloheximide, showing that it was dependent on new protein synthesis. Transport of sucrose did not seem to be dependent on ATP. Rather, uptake of this sugar seemed to be driven by a proton gradient across the plasma membrane. The uptake system showed Michaelis-Menten kinetics.

Effect of inter-edge Coulomb interactions on transport through a point contact in nu=5/2 quantum Hall state

We study transport across a point contact separating two line junctions in a nu = 5/2 quantum Hall system. We analyze the effect of inter-edge Coulomb interactions between the chiral bosonic edge modes of the half-filled Landau level (assuming a Pfaffian wave function for the half-filled state) and of the two fully filled Landau levels. In the presence of inter-edge Coulomb interactions between all the six edges participating in the line junction, we show that the stable fixed point corresponds to a point contact that is neither fully opaque nor fully transparent. Remarkably, this fixed point represents a situation where the half-filled level is fully transmitting, while the two filled levels are completely backscattered; hence the fixed point Hall conductance is given by G(H) = 1/2e(2)/h. We predict the non-universal temperature power laws by which the system approaches the stable fixed point from the two unstable fixed points corresponding to the fully connected case (G(H) = 5/2e(2)/h) and the fully disconnected case (G(H) = 0).

Analysis of Paschen Curves for air, N2 and SF6 Using the Townsend Breakdown Equation

It has been shown that it is possible to extend the validity of the Townsend breakdown criterion for evaluating the breakdown voltages in the complete pd range in which Paschen curves are available. Evaluation of the breakdown voltages for air (pd=0.0133 to 1400 kPa · cm), N2(pd=0.0313 to 1400 kPa · cm) and SF6 (pd=0.3000 to 1200 kPa · cm) has been done and in most cases the computed values are accurate to ±3% of the measured values. The computations show that it is also possible to estimate the secondary ionization coefficient ¿ in the pd ranges mentioned above.

Multinomial solutions of the beach equation

Exact multinomial solutions of the beach equation for shallow water waves on a uniformly sloping beach are found and related to solution of the same equation found earlier by other investigators, using integral transform techniques. The use of these solutions for a general initialvalue problem for the equation under investigation is briefly discussed.

The physiological and metabolic impacts on sheep and cattle of feed and water deprivation before and during transport

Sheep and cattle are frequently subjected to feed and water deprivation (FWD) for about 12 h before, and then during, transport to reduce digesta load in the gastrointestinal tract. This FWD is marked by weight loss as urine and faeces mainly in the first 24 h but continuing at a reduced rate subsequently. The weight of rumen contents falls although water loss is to some extent masked by saliva inflow. FWD is associated with some stress, particularly when transportation is added. This is indicated by increased levels of plasma cortisol that may be partly responsible for an observed increase in the output of water and N in urine and faeces. Loss of body water induces dehydration that may induce feelings of thirst by effects on the hypothalamus structures through the renin-angiotensin-aldosterone system. There are suggestions that elevated cortisol levels depress angiotensin activity and prevent sensations of thirst in dehydrated animals, but further research in this area is needed. Dehydration coupled with the discharge of Na in urine challenges the maintenance of homeostasis. In FWD, Na excretion in urine is reduced and, with the reduction in digesta load, Na is gradually returned from the digestive tract to the extracellular fluid space. Control of enteropathogenic bacteria by normal rumen microbes is weakened by FWD and resulting infections may threaten animal health and meat safety. Recovery time is required after transport to restore full feed intake and to ensure that adequate glycogen is present in muscle pre-slaughter to maintain meat quality.

Electron attachment in binary mixtures of electronegative and buffer gases

The ratio of the electron attachment coefficient eta to the gas pressure p (reduced to 0 degrees C) evaluated from the Townsend current growth curves in binary mixtures of electronegative gases (SF6, CCl2F2, CO2) and buffer gases (N2, Ar, air) clearly indicate that the eta /p ratios do not scale as the partial pressure of electronegative gas in the mixture. Extensive calculations carried out using data experimentally obtained have shown that the attachment coefficient of the mixture eta mix can be expressed as eta mix= eta (1-exp- beta F/(100-F)) where eta is the attachment coefficient of the 100% electronegative gas, F is the percentage of the electronegative gas in the mixture and beta is a constant. The results of this analysis explain to a high degree of accuracy the data obtained in various mixtures and are in very good agreement with the data deduced by Itoh and co-workers (1980) using the Boltzmann equation method.

Electrical transport and crystallization studies of glassy semiconducting Si20Te80 alloy at high pressure

The effect of pressure on the electrical resistivity of bulk Si20Te80 glass is reported. Results of calorimetric, X-ray and transmission electron microscopy investigations at different stages of crystallization of bulk Si20Te80 glass are also presented. A pressure induced glass-to-crystal transition occurs at a pressure of 7 GPa. Pressure and temperature dependence of the electrical resistivity of Si20Te80 glass show the observed transition is a pressure induced glassy semiconductor to crystalline metal transition. The glass also exhibits a double Tg effect and double stage crystallization, under heating. The differences between the temperature induced crystallization (primary crystallization) and pressure induced congruent crystallization are discussed.

Electrical Transport Studies in as-se Glasses

The DC and AC conductivity studies of As---Se glasses over a wide range of compositions have been reported and discussed. The contribution to conductivity from transport among extended states has been delineated and the possible existence of a characteristic temperature is indicated. Two conductivity maxima have been observed as a function of composition in AC conductivities at lower temperatures.

Atrazine degradation and transport in runoff on a Black Vertosol

In Australia communities are concerned about atrazine being detected in drinking water supplies. It is important to understand mechanisms by which atrazine is transported from paddocks to waterways if we are to reduce movement of agricultural chemicals from the site of application. Two paddocks cropped with grain sorghum on a Black Vertosol were monitored for atrazine, potassium chloride (KCl) extractable atrazine, desethylatrazine (DEA), and desisopropylatrazine (DIA) at 4 soil depths (0-0.05, 0.05-0.10, 0.10-0.20, and 0.20-0.30 m) and in runoff water and runoff sediment. Atrazine + DEA + DIA (total atrazine) had a half-life in soil of 16-20 days, more rapid dissipation than in many earlier reports. Atrazine extracted in dilute potassium chloride, considered available for weed control, was initially 34% of the total and had a half-life of 15-20 days until day 30, after which it dissipated rapidly with a half life of 6 days. We conclude that, in this region, atrazine may not pose a risk for groundwater contamination, as only 0.5% of applied atrazine moved deeper than 0.20 m into the soil, where it dissipated rapidly. In runoff (including suspended sediment) atrazine concentrations were greatest during the first runoff event (57 days after application) (85 μg/L) and declined with time. After 160 days, the total atrazine lost in runoff was 0.4% of the initial application. The total atrazine concentration in runoff was strongly related to the total concentration in soil, as expected. Even after 98% of the KCl-extractable atrazine had dissipated (and no longer provided weed control), runoff concentrations still exceeded the human health guideline value of 40 μg/L. For total atrazine in soil (0-0.05 m), the range for coefficient of soil sorption (Kd) was 1.9-28.4 mL/g and for soil organic carbon sorption (KOC) was 100-2184 mL/g, increasing with time of contact with the soil and rapid dissipation of the more soluble, available phase. Partition coefficients in runoff for total atrazine were initially 3, increasing to 32 and 51 with time, values for DEA being half these. To minimise atrazine losses, cultural practices that maximise rain infiltration, and thereby minimise runoff, and minimise concentrations in the soil surface should be adopted.

Nonlinear transport in semiconducting polymers at high carrier densities

Conducting and semiconducting polymers are important materials in the development of printed, flexible, large-area electronics such as flat-panel displays and photovoltaic cells. There has been rapid progress in developing conjugated polymers with high transport mobility required for high-performance field-effect transistors (FETs), beginning(1) with mobilities around 10(-4) cm(2) V-1 s(-1) to a recent report(2) of 1 cm(2) V-1 s(-1) for poly(2,5-bis(3-tetradecylthiophen-2-yl) thieno[3,2-b] thiophene) (PBTTT). Here, the electrical properties of PBTTT are studied at high charge densities both as the semiconductor layer in FETs and in electrochemically doped films to determine the transport mechanism. We show that data obtained using a wide range of parameters (temperature, gate-induced carrier density, source-drain voltage and doping level) scale onto the universal curve predicted for transport in the Luttinger liquid description of the one-dimensional `metal'.

Swarm intelligence-based solver for parameter estimation of laboratory through-diffusion transport of contaminants

Theoretical approaches are of fundamental importance to predict the potential impact of waste disposal facilities on ground water contamination. Appropriate design parameters are generally estimated be fitting theoretical models to data gathered from field monitoring or laboratory experiments. Transient through-diffusion tests are generally conducted in the laboratory to estimate the mass transport parameters of the proposed barrier material. Thes parameters are usually estimated either by approximate eye-fitting calibration or by combining the solution of the direct problem with any available gradient-based techniques. In this work, an automated, gradient-free solver is developed to estimate the mass transport parameters of a transient through-diffusion model. The proposed inverse model uses a particle swarm optimization (PSO) algorithm that is based on the social behavior of animals searching for food sources. The finite difference numerical solution of the forward model is integrated with the PSO algorithm to solve the inverse problem of parameter estimation. The working principle of the new solver is demonstrated and mass transport parameters are estimated from laboratory through-diffusion experimental data. An inverse model based on the standard gradient-based technique is formulated to compare with the proposed solver. A detailed comparative study is carried out between conventional methods and the proposed solver. The present automated technique is found to be very efficient and robust. The mass transport parameters are obtained with great precision.

Convenient construction of tetrahedral finite elements for the quasi-harmonic equation

It is shown that in the finite-element formulation of the general quasi-harmonic equation using tetrahedral elements, for every member of the element family there exists just one numerical universal matrix indpendent of the size, shape and material properties of the element. Thus the element matrix is conveniently constructed by manipulating this single matrix along with a set of reverse sequence codes at the same time accounting for the size, shape and material properties in a simple manner.