Numerical modelling of adsorption of metallic particles on graphite substrate via molecular dynamics simulation

A computer-based numerical modelling of the adsorption process of gas phase metallic particles on the surface of a graphite substrate has been performed via the application of molecular dynamics simulation method. The simulation relates to an extensive STM-based experiment performed in this field, and reproduces part of the experimental results. Both two-body and many-body inter-atomic potentials have been employed. A Morse-type potential describing the metal-carbon interactions at the interface was specifically formulated for this modelling. Intercalation of silver in graphite has been observed as well as the correct alignments of monomers, dimers and two-dimensional islands on the surface. PACS numbers: 02.60.Cb, 07.05.Tp, 68.55.-a, 81.05.Tp

Surface physics at the nano-scale via scanning probe microscopy and molecular dynamics simulations

Probe-based scanning microscopes, such as the STM and the AFM, are used to obtain the topographical and electronic structure maps of material surfaces, and to modify their morphologies on nanoscopic scales. They have generated new areas of research in condensed matter physics and materials science. We will review some examples from the fields of experimental nano-mechanics, nano-electronics and nano-magnetism. These now form the basis of the emerging field of Nano-technology. A parallel development has been brought about in the field of Computational Nano-science, using quantum-mechanical techniques and computer-based numerical modelling, such as the Molecular Dynamics (MD) simulation method. We will report on the simulation of nucleation and growth of nano-phase films on supporting substrates. Furthermore, a theoretical modelling of the formation of STM images of metallic clusters on metallic substrates will also be discussed within the non-equilibrium Keldysh Green function method to study the effects of coherent tunnelling through different atomic orbitals in a tip-sample geometry.

Using mathematical models to predict the development of aircraft cabin fires

Computer based mathematical models describing aircraft fire have a role to play in the design and development of safer aircraft, in the implementation of safer and more rigorous certification criteria and in post mortuum accident investigation. As the cost involved in performing large-scale fire experiments for the next generation 'Ultra High Capacity Aircraft' (UHCA) are expected to be prohibitively high, the development and use of these modelling tools may become essential if these aircraft are to prove a safe and viable reality. By describing the present capabilities and limitations of aircraft fire models, this paper will examine the future development of these models in the areas of large scale applications through parallel computing, combustion modelling and extinguishment modelling.

The use of evacuation modelling techniques in the design of very large transport aircraft and blended wing body aircraft

Very Large Transport Aircraft (VLTA) pose considerable challenges to designers, operators and certification authorities. Questions concerning seating arrangement, nature and design of recreational space, the number, design and location of internal staircases, the number of cabin crew required and the nature of the cabin crew emergency procedures are just some of the issues that need to be addressed. Other more radical concepts such as blended wing body (BWB) design, involving one or two decks with possibly four or more aisles offer even greater challenges. Can the largest exits currently available cope with passenger flow arising from four or five aisles? Do we need to consider new concepts in exit design? Should the main aisles be made wider to accommodate more passengers? In this paper we demonstrate how computer based evacuation models can be used to investigate these issues through examination of staircase evacuation procedures for VLTA and aisle/exit configuration for BWB cabin layouts.

The airEXODUS evacuation model and its application to aircraft safety

Computer based mathematical models describing the aircraft evacuation process have a vital role to play in the design and development of safer aircraft, the implementation of safer and more rigorous certification criteria, in cabin crew training and post-mortem accident investigation. As the risk of personal injury and the costs involved in performing full-scale certification trials are high, the development and use of these evacuation modelling tools are essential. Furthermore, evacuation models provide insight into the evacuation process that is impossible to derive from a single certification trial. The airEXODUS evacuation model has been under development since 1989 with support from the UK CAA and the aviation industry. In addition to describing the capabilities of the airEXODUS evacuation model, this paper describes the findings of a recent CAA project aimed at investigating model accuracy in predicting past certification trials. Furthermore, airEXODUS is used to examine issues related to the Blended Wing Body (BWB) and Very Large Transport Aircraft (VLTA). These radical new aircraft concepts pose considerable challenges to designers, operators and certification authorities. BWB concepts involving one or two decks with possibly four or more aisles offer even greater challenges. Can the largest exits currently available cope with passenger flow arising from four or five aisles? Do we need to consider new concepts in exit design? Should the main aisle be made wider to accommodate more passengers? In this paper we discuss various issues evacuation related issues associated VLTA and BWB aircraft and demonstrate how computer based evacuation models can be used to investigage these issues through examination of aisle/exit configurations for BWB cabin layouts.

Computational modelling-a key component in materials processing

Computational analysis software is now widely accepted as a key industrial tool for plant design and process analysis. This is due in part to increased accuracy in the models, larger and faster computer systems and better graphical interfaces that allow easy use of the technology by engineers. The use of computational modelling to test new ideas and analyse current processes helps to take the guesswork out of industrial process design and offers attractive cost savings. An overview of computer-based modelling techniques as applied to the materials processing industry is presented and examples of their application are provided in the contexts of the mixing and refining of lead bullion and the manufacture of lead ingots.

Advanced evacuation simulation software and its use in warships

The newly formed Escape and Evacuation Naval Authority regulates the provision of abandonment equipment and procedures for all Ministry of Defence Vessels. As such, it assures that access routes on board are evaluated early in the design process to maximize their efficiency and to eliminate, as far as possible, any congestion that might occur during escape. This analysis can be undertaken using a computer-based simulation for given escape scenarios and replicates the layout of the vessel and the interactions between each individual and the ship structure. One such software tool that facilitates this type of analysis is maritimeEXODUS. This tool, through large scale testing and validation, emulates human shipboard behaviour during emergency scenarios; however it is largely based around the behaviour of civilian passengers and fixtures and fittings of merchant vessels. Hence there existed a clear requirement to understand the behaviour of well-trained naval personnel as opposed to civilian passengers and be able to model the fixtures and fittings that are exclusive to warships, thus allowing improvements to both maritimeEXODUS and other software products. Human factor trials using the Royal Navy training facilities at Whale Island, Portsmouth were recently undertaken to collect data that improves our understanding of the aforementioned differences. It is hoped that this data will form the basis of a long-term improvement package that will provide global validation of these simulation tools and assist in the development of specific Escape and Evacuation standards for warships. © 2005: Royal Institution of Naval Architects.

Data collection in support of the modelling of naval vessels

Evacuation analysis of passenger and commercial shipping can be undertaken using computer-based simulation tools such as maritimeEXODUS. These tools emulate human shipboard behaviour during emergency scenarios; however it is largely based around the behaviour of civilian passengers and fixtures and fittings of merchant vessels. If these tools and procedures are to be applied to naval vessels there is a clear requirement to understand the behaviour of well-trained naval personnel interacting with the fixtures and fittings that are exclusive to warships. Human factor trials using Royal Navy training facilities were recently undertaken to collect data to improve our understanding of the performance of naval personnel in warship environments. The trials were designed and conducted by staff from the Fire Safety Engineering Group (FSEG) of the University of Greenwich on behalf of the Sea Technology Group (STG), Defence Procurement Agency. The trials involved a selection of RN volunteers with sea-going experience in warships, operating and traversing structural components under different angles of heel. This paper describes the trials and some of the collected data.

Using a modified shepards method for optimization of a nanoparticulate cyclosporine a formulation prepared by a static mixer technique

An innovative methodology has been used for the formulation development of Cyclosporine A (CyA) nanoparticles. In the present study the static mixer technique, which is a novel method for producing nanoparticles, was employed. The formulation optimum was calculated by the modified Shepard's method (MSM), an advanced data analysis technique not adopted so far in pharmaceutical applications. Controlled precipitation was achieved injecting the organic CyA solution rapidly into an aqueous protective solution by means of a static mixer. Furthermore the computer based MSM was implemented for data analysis, visualization, and application development. For the optimization studies, the gelatin/lipoid S75 amounts and the organic/aqueous phase were selected as independent variables while the obtained particle size as a dependent variable. The optimum predicted formulation was characterized by cryo-TEM microscopy, particle size measurements, stability, and in vitro release. The produced nanoparticles contain drug in amorphous state and decreased amounts of stabilizing agents. The dissolution rate of the lyophilized powder was significantly enhanced in the first 2 h. MSM was proved capable to interpret in detail and to predict with high accuracy the optimum formulation. The mixer technique was proved capable to develop CyA nanoparticulate formulations.

Structured reflection breaks embedded in an online course – effects on learning experience, time on task and performance

The purpose of this article is to gain an insight into the effects of practicing short, frequent,and structured reflection breaks interspersed with the learning material in a computer-based course. To that end, the study sets up a standardized control trial with two groups of secondary school pupils. The study shows that while performance is not affected by these embedded “reflection rituals,” they significantly impact time on task and perceived learning. The study also suggests that the exposure to such built-in opportunities for reflection modifies the engagement with the content and fosters the claimed readiness for application of a similar reflective approach to learning in other occasions.

Towards Real-time Speech Emotion Recognition for Affective E-Learning

The original article is available as an open access file on the Springer website in the following link: http://link.springer.com/article/10.1007/s10639-015-9388-2