Computer simulation of surface and film processes

Adequate computer methods, based on interactions between discrete particles, provide information leading to an atomic level understanding of various physical processes. The success of these simulation methods, however, is related to the accuracy of the potential energy function representing the interactions among the particles. The development of a potential energy function for crystalline SiO2 forms that can be employed in lengthy computer modelling procedures was investigated. In many of the simulation methods which deal with discrete particles, semiempirical two body potentials were employed to analyze energy and structure related properties of the system. Many body interactions are required for a proper representation of the total energy for many systems. Many body interactions for simulations based on discrete particles are discussed

Symmetric modules over their endomorphism rings

Let R be an arbitrary ring with identity and M a right R-module with S=EndR(M). In this paper, we study right R-modules M having the property for f,g∈EndR(M) and for m∈M, the condition fgm=0 implies gfm=0. We prove that some results of symmetric rings can be extended to symmetric modules for this general setting

Symmetric modules over their endomorphism rings

Let R be an arbitrary ring with identity and M a right R-module with S = EndR(M). In this paper, we study right R-modules M having the property for f, g ∈ EndR(M) and for m ∈ M, the condition fgm = 0 implies gfm = 0. We prove that some results of symmetric rings can be extended to symmetric modules for this general setting. © Journal “Algebra and Discrete Mathematics”

Generalized symmetric rings

In this paper, we introduce a class of rings which is a generalization of symmetric rings. Let R be a ring with identity. A ring R is called central symmetric if for any a, b,c∈R, abc=0 implies bac belongs to the center of R. Since every symmetric ring is central symmetric, we study sufficient conditions for central symmetric rings to be symmetric. We prove that some results of symmetric rings can be extended to central symmetric rings for this general settings. We show that every central reduced ring is central symmetric, every central symmetric ring is central reversible, central semmicommutative, 2-primal, abelian and so directly finite. It is proven that the polynomial ring R[x] is central symmetric if and only if the Laurent polynomial ring R[x,x−1] is central symmetric. Among others, it is shown that for a right principally projective ring R, R is central symmetric if and only if R[x]/(xn) is central Armendariz, where n≥2 is a natural number and (xn) is the ideal generated by x

Calculation of the vibrational frequencies of carbon clusters and fullerenes with empirical potentials

Vibrational frequencies for carbon clusters, fullerenes and nanotubes evaluated using empirical carbon-carbon potentials are presented. For linear and cyclic clusters, frequencies evaluated with the reactive empirical bond order (REBO) potential provide the closest agreement with experiment. The mean absolute deviation (MAD) between experiment and the calculated harmonic frequencies is 79 cm−1 for the bending modes and 76 cm−1 for the stretching modes. The effects of anharmonicity are included via second order vibrational perturbation theory and tend to increase the frequency of the bending modes while the stretching modes have negative shifts in the region of 20 - 60 cm−1, with larger shifts for the higher frequency modes. This results in MADs for the bending and stretching modes of 84 cm−1 and 58 cm−1, respectively. For the fullerene molecule C60, the high frequency modes are predicted to have harmonic frequencies that are significantly higher than experiment, and this is not corrected by accounting for anharmonicity. This overestimation of experimental observed frequencies is also evident in the calculated frequencies of the G band in nanotubes. This suggests that the REBO potential is not optimal for these larger systems and it is shown that adjustment of the parameters within the potential leads to closer agreement with experiment, particularly if higher and lower frequency modes are considered separately

Residential electricity pricing in China

The paper aims to evaluate the implications of the new residential pricing system in China by examining price and income elasticity of demand by different household types. We use pre-reform annual panel data for 29 provinces over a fourteen year period, from 1998 to 2011, applying feasible generalize least squares models. The price and income elasticities for household sector are -0.412, and 1.476 at nation level, -0.300 and 1.550 in urban areas and -0.522 and 1.093 in rural areas respectively. With regional effects, the price and income elasticities are -0.146 and 1.286 for urban households in coastal provinces and -0.772 and 1.259 for urban households in inland provinces respectively. The empirical results reveal that there is important heterogeneity in the responsiveness to electricity price changes according to household income level and location