Search results for "lattice [space-time]"

On the Formation of Droperidol Solvates: Characterization of Structure and Properties

2014

A solvate screening and characterization of the obtained solvates was performed to rationalize and understand the solvate formation of active pharamaceutical ingredient droperidol. The solvate screening revealed that droperidol can form 11 different solvates. The analysis of the crystal structures and molecular properties revealed that droperidol solvate formation is mainly driven by the inability of droperidol molecules to pack efficiently. The obtained droperidol solvates were characterized by X-ray diffraction and thermal analysis. It was found that droperidol forms seven nonstoichiometric isostructural solvates, and the crystal structures were determined for five of these solvates. To b…

Crystal structure, dielectric properties and molecular motions in ( i -C 4 H 9 NH 3 ) 3 Bi 2 Br 9

2000

Abstract The crystal structure of ( i -C 4 H 9 NH 3 ) 3 Bi 2 Br 9 at room temperature has been determined and refined to R =0.036. The crystal is orthorhombic, space group Ama 2. The structure is built up of the i -butylammonium cations and isolated Bi 2 Br 9 3− anions. The complex dielectric permittivity along the a -axis has been measured between 500 Hz and 1000 MHz in the vicinity of two phase transitions at 252 and 263 K. The dielectric response close to 252 K is well described by the Debye equation. The activation energy of the reorientation of the i -butylammonium cations is found to be 0.68 eV. The temperature dependencies of the proton relaxation time T 1 and of the second moment of…

Extending the star order to Rickart rings

2015

Star partial order was initially introduced for semigroups and rings with (proper) involution. In particular, this order has recently been studied on Rickart *-rings. It is known that the star order in such rings can be characterized by conditions not involving involution explicitly. Owing to these characterizations, the order can be extended to certain special Rickart rings named strong in the paper; this extension is the objective of the paper. The corresponding order structure of strong Rickart rings is studied more thoroughly. In particular, the most significant lattice properties of star-ordered Rickart *-rings are successfully transferred to strong Rickart rings; also several new resu…

Super-Exponential Size Advantage of Quantum Finite Automata with Mixed States

2008

Quantum finite automata with mixed states are proved to be super-exponentially more concise rather than quantum finite automata with pure states. It was proved earlier by A.Ambainis and R.Freivalds that quantum finite automata with pure states can have exponentially smaller number of states than deterministic finite automata recognizing the same language. There was a never published "folk theorem" proving that quantum finite automata with mixed states are no more than super-exponentially more concise than deterministic finite automata. It was not known whether the super-exponential advantage of quantum automata is really achievable. We use a novel proof technique based on Kolmogorov complex…

On the lattice of J-subnormal subgroups

1992

Estimation of the photon production rate using imaginary momentum correlators

2023

The thermal photon emission rate is determined by the spatially transverse, in-medium spectral function of the electromagnetic current. Accessing the spectral function using Euclidean data is, however, a challenging problem due to the ill-posed nature of inverting the Laplace transform. In this contribution, we present the first results on implementing the proposal of directly computing the analytic continuation of the retarded correlator at fixed, vanishing virtuality of the photon via the calculation of the appropriate Euclidean correlator at imaginary spatial momentum. We employ two dynamical O(a)-improved Wilson fermions at a temperature of 250 MeV.

Reduction of the number of spectral bands in Landsat images: a comparison of linear and nonlinear methods

2006

We describe some applications of linear and nonlinear pro- jection methods in order to reduce the number of spectral bands in Land- sat multispectral images. The nonlinear method is curvilinear component analysis CCA, and we propose an adapted optimization of it for image processing, based on the use of principal-component analysis PCA, a linear method. The principle of CCA consists in reproducing the topol- ogy of the original space projection points in a reduced subspace, keep- ing the maximum of information. Our conclusions are: CCA is an im- provement for dimension reduction of multispectral images; CCA is really a nonlinear extension of PCA; CCA optimization through PCA called CCAinitP…

An efficient swap algorithm for the lattice Boltzmann method

2007

During the last decade, the lattice-Boltzmann method (LBM) as a valuable tool in computational fluid dynamics has been increasingly acknowledged. The widespread application of LBM is partly due to the simplicity of its coding. The most well-known algorithms for the implementation of the standard lattice-Boltzmann equation (LBE) are the two-lattice and two-step algorithms. However, implementations of the two-lattice or the two-step algorithm suffer from high memory consumption or poor computational performance, respectively. Ultimately, the computing resources available decide which of the two disadvantages is more critical. Here we introduce a new algorithm, called the swap algorithm, for t…

Parallelization of Cellular Automata for Surface Reactions

2002

We present a parallel implementation of cellular automata to simulate chemical reactions on surfaces. The scaling of the computer time with the number of processors for this parallel implementation is quite close to the ideal T/P, where T is the computer time used for one single processor and P the number of processors. Two examples are presented to test the algorithm, the simple A+B->0 model and a realistic model for CO oxidation on Pt(110). By using large parallel simulations, it is possible to derive scaling laws which allow us to extrapolate to even larger system sizes and faster diffusion coefficients allowing us to make direct comparisons with experiments.

Effective conductivity in a lattice model for binary disordered media with complex distributions of grain sizes

2003

Using numerical simulations and analytical approximations we study a modified version of the two-dimensional lattice model [R. Piasecki,phys. stat. sol. (b) 209, 403 (1998)] for random pH:(1-p)L systems consisting of grains of high (low) conductivity for H-(L-)phase, respectively. The modification reduces a spectrum of model bond conductivities to the two pure ones and the mixed one. The latter value explicitly depends on the average concentration gamma(p) of the H-component per model cell. The effective conductivity as a function of content p of the H-phase in such systems can be modelled making use of three model parameters that are sensitive to both grain size distributions, GSD(H) and G…