PetaFlow: a global computing-networking-visualisation unitwith social impact

International audienceThe PetaFlow application aims to contribute to the use of high performance computational resources forthe benefit of society. To this goal the emergence of adequate information and communication technologies withrespect to high performance computing-networking-visualisation and their mutual awareness is required. Thedeveloped technology and algorithms are presented and applied to a real global peta-scale data intensive scientificproblem with social and medical importance, i.e. human upper airflow modelling

Modularity for Large Virtual Reality Applications

International audienceThis paper focuses on the design of high performance VR applications. These applications usually involve various I/O devices and complex simulations. A parallel architecture or grid infrastructure is required to provide the necessary I/O and processing capabilities. Developing such applications faces several difficulties, two important ones being software engineering and performance issues. We argue that application modularity is a key concept to help the developer handle the complexity of these applications. We discuss how various approaches borrowed from other existing works can be combined to significantly improve the modularity of VR applications. This led to the development of the FlowVR middleware that associates a data-flow model with a hierarchical component model. Different case studies are presented to discuss the benefits of the approach proposed

Vision-Augmented molecular dynamics simulation of nanoindentation

This thesis was submitted for the award of Doctor of Philosophy and was awarded by Brunel University London.This thesis has contributed to the literature by providing a pathway to simplify the process of carrying out molecular dynamics simulation. As a part of the investigation, a user-friendly vision-augmented technique was developed to set up and carry out atomistic simulations using hand-gestures. The system is novel in its concept as it enables the user to directly manipulate the atomic structures on the screen, in 3D space using hand gestures, allowing the exploration and visualisation of molecular interactions at different relative conformations. The hand gestures are used to pick and place atoms on the screen allowing thereby the ease of preparing and carrying out molecular dynamics simulations in a more intuitive way. The end result is that users with limited expertise in developing molecular structures can now do so easily and intuitively by the use of body gestures to interact with the simulator to study the system in question. The proposed system was tested by performing parallel molecular dynamics simulations to study (i) crystal anisotropy of a diamond cubic substrate (crystalline silicon) using nanoindentation with a long-range (Screened bond order) Tersoff potential and (ii) crystal anisotropy of a body centre cubic metal (tantalum) using nanoindentation with an Embedded Atomic Method (EAM) type potential. The MD data was post-processed to reveal size effects observed in anisotropy of both these materials, namely, silicon and tantalum. The value of hardness and elastic modulus obtained from the MD data was found in accordance with what has been discovered previously by experiments, thereby validating the simulations. Based on this, it is anticipated that the proposed system will open up new horizons to the current methods on how an MD simulation is designed and executed.King Abdullah bin Abdul-Aziz Al- Saud Ministry of Higher Education and Northern Borders University, Kingdom of Saudi Arabi