Atomistic modelling of the Fe-Cr-C system

For the purpose of modelling the impact of carbon on radiation damage phenomena in steels, we have performed an extensive set of first principle calculations on the Fe-Cr-C system. The calculated solution and diffusion enthalpies of carbon in iron and in chromium agree well with experimental data, as do the relative formation energies of mono-carbides, cementite, Hägg and M₂₃C₆ carbides. Our data further indicate that interstitial carbon is attracted to a solute iron atom in bcc chromium, while the reaction between carbon and a solute chromium atom in bcc iron is repulsive. An empirical potential fitted to data for iron carbides is capable of reproducing melting behaviour of cementite, while the predicted interaction with point defects agrees less well with DFT data than a potential recently published by Hepburn and Ackland.     

德国中小城镇在国土开发中扮演的重要角色

与大多数欧洲城市相比,德国的城镇体系属于均衡发展的典范。地区的高度自治、联邦体制以及强有力的州政府使德国在两千多年的城市发展历程中,逐渐形成了大中小城市遍布全国的空间形态。这些城市都具有相似的生活质量、便捷的交通和便利的服务。基于对中小城镇的概括定义,本文将首先简要介绍城市均衡发展的历史渊源及小城镇在德国的重要作用,并举例分析一些进行中的都市化过程,随后将选取纽伦堡城市区域作为中小城镇的成功案例重点介绍,最后简要说明支持城镇发展的联邦政策规划。     

Fourier‐Transform Rheology of Unvulcanized,Carbon Black Filled Styrene Butadiene Rubber

Rubber materials filled with reinforcing fillers display nonlinear rheological behavior at small strain amplitudes below γ₀ < 0.1. Nevertheless, rheological data are analyzed mostly in terms of linear parameters, such as shear moduli (G′, G″), which loose their physical meaning in the nonlinear regime. In this work styrene butadiene rubber filled with carbon black (CB) under large amplitude oscillatory shear (LAOS) is analyzed in terms of the nonlinear parameter I_3/1. Three different CB grades are used and the filler load is varied between 0 and 70 phr. It is found that I_3/1(φ) is most sensitive to changes of the total accessible filler surface area at low strain amplitudes (γ₀ = 0.32). The addition of up to 70 phr CB leads to an increase of I_3/1(φ) by a factor of more than ten. The influence of the measurement temperature on I_3/1 is pronounced for CB levels above the percolation threshold.

     

Trace-based mobility modeling for multi-hop wireless networks

Realistic and scenario-dependent mobility modeling is crucial for the reliable performance evaluation of multi-hop networks. In the last decade, a significant number of synthetic mobility models have been proposed. However, only a few of these models have been validated by realistic movement traces. In the last few years, several of such traces have been collected, analyzed, and made available to the community. This paper provides a comprehensive and up-to-date survey of (1) available movement traces, (2) modeling/analyses of these traces, and (3) synthetic mobility models. The focus of the paper is on mobility traces/models that include position information. The contribution of this paper is to summarize the research that has been done in the area of mobility modeling over the last few years and present challenges for future work.     

Synthesis and Biological Evaluation of Chromium Bioorganometallics Based on the Antibiotic Platensimycin Lead Structure

The recent discovery of the natural product platensimycin as a new antibiotic lead structure has triggered the synthesis of numerous organic derivatives for structure–activity relationship studies. Herein, we describe the synthesis, characterization and biological evaluation of the first organometallic antibiotic inspired by platensimycin. Two bioorganometallic compounds containing (η⁶‐pentamethylbenzene)Cr(CO)₃ ( 2 ) and (η⁶‐benzene)Cr(CO)₃ ( 3 ), linked by an amide bond to the aromatic part of platensimycin, were synthesized. Their antibiotic activities were tested against B. subtilis 168 (Gram positive) and E. coli W3110 (Gram negative) bacterial strains. Both compounds were found to be inactive against E. coli but derivative 2 inhibits B. subtilis growth at a moderate MIC value of 0.15 mM . To test the intrinsic toxicity of chromium, several chromium salts along with {η⁶‐(3‐pentamethylphenyl propionic acid)}Cr(CO)₃ ( 5 ) and {η⁶‐(3‐phenyl propionic acid)}Cr(CO)₃ ( 6 ) were tested against both bacterial strains. No activity was observed against E. coli for any of the compounds; B. subtilis growth was not inhibited by Cr(NO₃)₃ and only very weakly by 5 , K₂Cr₂O₇ and Na₂CrO₄ at MIC values of 0.5, 0.68 and 1.24 mM , respectively. Compounds 2 , 3 , 5 and 4 (the pure organic analogue of 2 ) show similar cytotoxicity against HeLa, HepG2 and HT‐29 mammalian cell lines. Furthermore, the cellular uptake and the intracellular distribution of compounds 2 , 3 and Cr(NO₃)₃ in B. subtilis were studied using atomic absorption spectroscopy to gain insight in to the possible cellular targets. Compound 2 was found to be readily taken up and distributed almost equally among cytosol, cell debris and cell membrane in B. subtilis.     

The ABCs of Space-time-coherence Recording in Holography

Abstract

After placing prior work on time-gated holography and coherence-gated holography in a unified perspective, we broaden both with a new coherence theorem which introduces an assymetry between them and allows otherwise-impossible holograms to be formed.