Nanoscopic modelling of the adhesion, indentation and fracture characteristics of metallic systems via molecular dynamics simulations

Large-scale molecular dynamics simulations have been performed on canonical ensembles to model the adhesion and indentation characteristics of 3-D metallic nano-scale junctions in tip-substrate geometries, and the crack propagation in 2-D metallic lattices. It is shown that irreversible flows in nano-volumes of materials control the behaviour of the 3-D nano-contacts, and that local diffusional flow constitutes the atomistic mechanism underlying these plastic flows. These simulations show that the force of adhesion in metallic nano-contacts is reduced when adsorbate monolayers are present at the metal—metal junctions. Our results are in agreement with the conclusions of very accurate point-contact experiments carried out in this field. Our fracture simulations reveal that at low temperatures cleavage fractures can occur in both an elemental metal and an alloy. At elevated temperatures, the nucleation of dislocations is shown to cause a brittle-to-ductile transition. Limiting crack propagation velocities are computed for different strain rates and a dynamic instability is shown to control the crack movement beyond this limiting velocity, in line with the recent experimental results.

[Book reviews] Review of J. E. Hoch, Semitic Words in Egyptian Texts of the New Kingdom and Third Intermediate Period and D. Sivan and Z. Cochavi-Rainey, West Semitic Vocabulary in Egyptian Script of the 14th to the 10th Centuries BCE

Reviews of: [1] James E. Hoch, Semitic Words in Egyptian Texts of the New Kingdom and Third Intermediate Period, (1994), Princeton University Press. [2] Daniel Sivan and Zipora Cochavi-Rainey, West Semitic Vocabulary in Egyptian Script of the 14th to the 10th Centuries BCE, (1992), Ben-Gurion University of the Negev Press.

The UK WTC 9/11 evacuation study: an overview of the methodologies employed and some analysis relating to fatigue, stair travel speeds and occupant response times

This paper briefly describes the methodologies employed in the collection and storage of first-hand accounts of evacuation experiences derived from face-to-face interviews with evacuees from the World Trade Center (WTC) Twin Towers complex on 11 September 2001 and the development of the High-rise Evacuation Evaluation Database (HEED). The main focus of the paper is to present an overview of preliminary analysis of data derived from the evacuation of the North Tower.

The UK WTC9/11 evacuation study: an overview of the methodologies employed and some preliminary analysis

This paper briefly describes the methodologies employed in the collection and storage of first-hand accounts of evacuation experiences derived from face-to-face interviews from evacuees from the World Trade Centre (WTC) Twin Towers complex on 11 Septebmer 2001 and the development of the High-rise Evacuation Evaluation Database (HEED). The main focus of the paper is to present a preliminary analysis of data derived from the evacuation of the North Tower.

Low temperature X-ray structures of two crystalline forms (I) and (II) of the pyrimidine derivative and sodium channel blocker BW1003C87: 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine

The X-ray crystal structures of two crystalline forms of 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine, C10H7Cl3N4 (code name BW1003C87) (I) and (II), have been carried out at liquid nitrogen temperature. A detailed comparison of the two structures is given. Both are centrosymmetric, with structure (I) in the triclinic space group P (1) over bar unit cell a = 6.4870(10), b = 9.216(2), c = 12.016(2) angstrom, alpha = 75.78(3)degrees, beta = 89.95(3)degrees, gamma = 83.45(3)degrees, V = 691.5(2) angstrom(3), Z = 2 and density (calculated) = 1.544 Mg/m(3); and (II) in the monoclinic space group P2(1)/c, unit cell a = 12.000(2), b = 7.518(2), c = 13.450(3) angstrom, beta = 97.87(3)degrees, V = 1202.0(5) angstrom(3), Z = 4, Density (calculated) = 1.600 Mg/m(3). Structure (I) includes a solvated CH3OH in the lattice. Final R indices [I > 2sigma(I)] are R1 = 0.0427, wR2 = 0.1075 for (I) and R1 = 0.0487, wR2 = 0.1222 for (II). R indices (all data) are R1 = 0.0470, wR2 = 0.1118 for (I) and R1 = 0.0623, wR2 = 0.1299 for (II). 5-Phenyl-2,4 diaminopyrimidine and 6-phenyl-1,2,4 triazine derivatives, which include lamotrigine (3,5-diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine), have been investigated for some time for their effects on the central nervous system. Both lamotrigine and 5-(2,3,5-trichlorophenyl)-2,4-diaminopyrimidine (code name BW1003C87), the subject of the present study, are anticonvulsant as well as neuroprotective in models of brain ischaemia and in a model of white matter ischaemia. BW1003C87 is a sodium channel blocker which also reduces the release of the neurotransmitter glutamate. The three dimensional structures reported here form part of a newly developed data base for the detailed investigation of members of this drug family and their biological activities.

A comparison of the gas-blast and centrifugal-accelerator erosion testers: The influence of particle dynamics

The gas-blast and centrifugal-accelerator testers are the two most commonly used erosion testers. An experimental and analytical study was made of the effect of particle characteristics (size, shape and concentration) on particle dynamics in each of these testers. Analysis showed that in the gas-blast tester both particle velocity and the dispersion angle of the particle jet were relatively sensitive to the particle characteristics. Particle characteristics, within the ranges studied, had little influence in the centrifugal accelerator tester. Consequently, during an erosion test, the range of particle velocities and dispersion angles in the gas-blast tester ismuch wider than in the centrifugal-accelerator tester. It was concluded that the centrifugal-accelerator tester gave closer control of the important erosion test parameters and therefore more consistent erosion test measurements. However, one drawback of the centrifugal-accelerator tester is the need to account for erosion effects associated with the impact of rotating particles, an inherent feature of this tester.