Search results for "dynamics."
showing 10 items of 9637 documents
The F-pure threshold of quasi-homogeneous polynomials
2018
Abstract Inspired by the work of Bhatt and Singh [3] we compute the F-pure threshold of quasi-homogeneous polynomials. We first consider the case of a curve given by a quasi-homogeneous polynomial f in three variables x , y , z of degree equal to the degree of xyz and then we proceed with the general case of a Calabi–Yau hypersurface, i.e. a hypersurface given by a quasi-homogeneous polynomial f in n + 1 variables x 0 , … , x n of degree equal to the degree of x 0 ⋯ x n .
Treatment of Herráez equation correlating viscosity in binary liquid mixtures exhibiting strictly monotonous distribution
2013
Recently, Herraez et al. proposed a new correlation equation, which introduces a correcting polynomial as an exponential-acting upon the molar fraction of one of mixture components. This equation is found to be widely applicable with more reasonable accuracy in systems exhibiting monotonous distribution than those presenting an extremum. In previous works, we have found that the first adjustable parameter of this equation is a universal exponent (0.5 or 1) for dioxane–water and isobutyric acid–water mixtures characterising the presence of solute–solute or solute–solvent interaction at very high dilution. In this work, we have tested this equation in 48 systems, and we have noted that severa…
Some insights on the description of gradient elution in reversed-phase liquid chromatography
2014
The so-called "fundamental equation for gradient elution" has been used for modeling the retention in gradient elution. In this approach, the instantaneous retention factor (k) is expressed as a function of the change in the modifier content (φ(ts )), ts being the time the solute has spent in the stationary phase. This approach can only be applied at constant flow rate and with gradients where the elution strength depends on the column length following a f(t-l/u) function, u being the linear mobile phase flow rate, and l the distance from the column inlet to the location where the solute is at time t measured from the beginning of the gradient. These limitations can be solved by using the h…
A study of Wigner functions for discrete-time quantum walks
2013
We perform a systematic study of the discrete time Quantum Walk on one dimension using Wigner functions, which are generalized to include the chirality (or coin) degree of freedom. In particular, we analyze the evolution of the negative volume in phase space, as a function of time, for different initial states. This negativity can be used to quantify the degree of departure of the system from a classical state. We also relate this quantity to the entanglement between the coin and walker subspaces.
A tight-binding potential for the simulation of solid and liquid iodine
2003
In this work, we suggest an interatomic potential for iodine applicable to the simulation of the condensed phases of the halogen within the temperature and density range accessible to experiments. The potential includes an attractive term that is partitioned into directional chemical bonding with a many-particle character and a pairwise interaction. Despite its simplicity, the potential reproduces the crystal structure of solid iodine, the presence of atomic phases with increasing pressure, and the metallic or insulating character of the solid phases. Finally, we present preliminary simulation results for fluid iodine.
N2-, O2- and air-broadened half-widths and line shifts for transitions in the nu3 band of methane in the 2726- to 3200-cm-1 spectral region
2008
International audience; Complex Robert-Bonamy calculations of the pressure-broadened half-width and the pressure-induced line shift are made for some 4000 transitions in the [nu]3 band of methane with N2, O2, and air as the perturbing gases. This work focuses on A and F symmetry transitions in the spectral range 2726 to 3200 cm-1. More work is needed on the intermolecular potential before calculations can be made for the E-symmetry transitions. The calculations are made at 225 and 296 K in order to determine the temperature dependence of the half-width. The calculations are compared with measurements. These data are to support remote sensing of the Earth and Titan atmospheres.
Mechanism of aluminium incorporation into C–S–H from ab initio calculations
2014
Blended cements have great potential to reduce the CO2 footprint due to cement production. C(alcium)–S(ilicate)–H(ydrate) in these novel materials is known to incorporate a considerable amount of Al. We have for the first time applied large-scale first principles calculations to address the mechanism of Al incorporation into low C/S ratio C–S–H. In agreement with state-of-the-art NMR information, our calculations show that Al substitutes Si in bridging tetrahedra only, and that substitutions in pairing tetrahedra are strongly disfavoured in a wide range of conditions. In broad terms, the energy penalty for having an Al atom in a pairing position is of about 20 kcal mol−1. Al in bridging tet…
Estimating the temperature evolution of foodstuffs during freezing with a 3D meshless numerical method
2015
Abstract Freezing processes are characterised by sharp changes in specific heat capacity and thermal conductivity for temperatures close to the freezing point. This leads to strong nonlinearities in the governing PDE that may be difficult to resolve using traditional numerical methods. In this work we present a meshless numerical method, based on a local Hermite radial basis function collocation approach in finite differencing mode, to allow the solution of freezing problems. By introducing a Kirchhoff transformation and solving the governing equations in Kirchhoff space, the strength of nonlinearity is reduced while preserving the structure of the heat equation. In combination with the hig…
Dynamic reliability indices for k-out-of-n multi-state system
2005
A multi-state system k-out-of-n is one of basic models in reliability analysis. In this system, k is the minimum number of n components that must work for the system to work and both the system and its components can have more than two states. A structure function declares relation between system and component states uniquely. New algorithm for reliability analysis of the k-out-of-n multi-state system is proposed in this paper. We use two tools for examine this system: (a) structure function for the system description; (b) direct partial logic derivatives for analysis this system. New algorithm for reliability analysis of the multi-state system k-out-of-n is allowed to calculate the probabi…
Observable Streaming Potential in Membranes
2003
Theories describing the electrokinetic processes in membranes usually involve nonobservable variables. One of these phenomena is the streaming potential, i.e., the electric potential generated by a pressure difference imposed across the membrane system. In this work the streaming potential is successfully described by using observable variables in the framework of thermodynamics of irreversible processes. The observable electric potential is the central quantity of the transport equations. The relaxation with time of this electric potential difference is well explained by the solute flux in these transport equations. The fluxes and forces defined in the formulation permit one to analyze the…