A multi-scale numerical modelling of crack propagation in a 2D metallic plate

A new multi-scale model of brittle fracture growth in an Ag plate with macroscopic dimensions is proposed in which the crack propagation is identified with the stochastic drift-diffusion motion of the crack-tip atom through the material. The model couples molecular dynamics simulations, based on many-body interatomic potentials, with the continuum-based theories of fracture mechanics. The Ito stochastic differential equation is used to advance the tip position on a macroscopic scale before each nano-scale simulation is performed. Well-known crack characteristics, such as the roughening transitions of the crack surfaces, as well as the macroscopic crack trajectories are obtained.

[1H,15N] N.M.R. Kinetic Studies of Reactions of cis- and trans-[PtCl2(15NH3)(c-C6H1115NH2)] with Guanosine 5'-Monophosphate

cis-[PtCl2(15NH3)(c-C6H11NH2)] is an active metabolite of the oral platinum(IV) anticancer drug cis,trans,cis-[PtCl2(CH3CO2)2(NH2)(c-C6H11NH2)]. Since it is likely that guanine bases on DNA are targets for this drug, we have analysed the kinetics of reaction of this platinum(II) metabolite with guanosine 5′-monophosphate (5′-GMP) at 310 K, pH 7, using [1H, 15N] n.m.r. methods. Reactions of the trans isomer are reported for comparison. The reactions proceed via aquated intermediates, and, for the cis isomer, the rates of aquation and substitution of H2O by 5′-GMP are 2-5 times faster trans to the amine ligand (c-C6H11NH2) compared to trans to NH3 for both the first and second steps. For the trans complex, the first aquation step is c. 3 times faster than for the cis complex, as expected from the higher trans influence of Cl¯, whereas the rate of the second aquation step (trans to N7 of 5′-GMP) is comparable to that trans to NH3. These findings have implications for the courses of reactions with DNA.

The collection and analysis of pre-evacuation times derived from evacuation trials and their application to evacuation modelling

This paper presents data relating to occupant pre-evacuation times from university and hospital outpatient facilities. Although the two occupancies are entirely different, they do employ relatively similar procedures: members of staff sweep areas to encourage individuals to evacuate.However the manner in which the dependent population reacts to these procedures is quite different. In the hospital case, the patients only evacuated once a member of the nursing staff had instructed them to do so, while in the university evacuation, the students were less dependent upon the actions of the staff, with over 50% of them evacuating with no prior prompting. In addition, the student pre-evacuation time was found to be dependent on their level of engagement in various activities.

The semi-automatic parallelisation of scientific application codes using a computer aided parallelisation toolkit

The shared-memory programming model can be an effective way to achieve parallelism on shared memory parallel computers. Historically however, the lack of a programming standard using directives and the limited scalability have affected its take-up. Recent advances in hardware and software technologies have resulted in improvements to both the performance of parallel programs with compiler directives and the issue of portability with the introduction of OpenMP. In this study, the Computer Aided Parallelisation Toolkit has been extended to automatically generate OpenMP-based parallel programs with nominal user assistance. We categorize the different loop types and show how efficient directives can be placed using the toolkit's in-depth interprocedural analysis. Examples are taken from the NAS parallel benchmarks and a number of real-world application codes. This demonstrates the great potential of using the toolkit to quickly parallelise serial programs as well as the good performance achievable on up to 300 processors for hybrid message passing-directive parallelisations.

On Hamilton cycles in locally connected graphs with vertex degree constraints

It is shown that every connected, locally connected graph with the maximum vertex degree Δ(G)=5 and the minimum vertex degree δ(G)3 is fully cycle extendable. For Δ(G)4, all connected, locally connected graphs, including infinite ones, are explicitly described. The Hamilton Cycle problem for locally connected graphs with Δ(G)7 is shown to be NP-complete

Extended model of pedestrian escalator behaviour based on data collected within a Chinese underground station

This paper presents data relating to pedestrian escalator behaviour collected in an underground station in Shanghai, China. While data was not collected under emergency or simulated emergency conditions, it is argued that the data collected under rush-hour conditions - where commuters are under time pressures to get to work on time - may be used to approximate emergency evacuation conditions - where commuters are also under time pressures to exit the building as quickly as possible. Data pertaining to escalator/stair choice, proportion of walkers to riders, walker speeds and side usage are presented. The collected data is used to refine the buildingEXODUS escalator model allowing the agents to select whether to use an escalator or neighbouring parallel stair based on congestion conditiions at the base of the stair/escalator and expected travel times. The new model, together with the collected data, is used to simulate a series of hypothetical evacuation scenarios to demonstrate the impact of escalators on evacuation performance.

A psychodynamic approach to suicide

This paper begins by critically exploring Freudian and post-Freudian understandings of suicide while drawing several examples from clinical practice. The paper then reconsiders psychodynamic approaches to suicidal clients from a Levinasian ethical position. Suggests that suicide may be a logical part of what it is to be human, rather than an indication of mental illness.

Adaptive ordering for imperfect successive decision feedback multiuser detection

A method for selecting the order in which the users are detected in communication systems employing adaptive successive decision feedback multiuser detection is proposed. Systems employing channel coding without the assumption of perfect decision feedback are analyzed. The method is based on the mean squared error (MSE) measurements during a training period for each user. The analysis' shows that the method delivers BER performance improvement relative to other previously proposed ordering methods