News & Views
Workshop: Atomistic Models of Solids
(Posted: 21st September 2009)
OxMOS New Frontiers in the Mathematics of Solids and the EPSRC Network 'Mathematical Challenges in Molecular Dynamics' are organising a joint workshop "Atomistic Models of Solids"
Monday 7 - Tuesday 8 December 2009, University of Oxford.
Organisers:
J.M. Ball (Oxford), S. J. Chapman (Oxford), Weinan E (Princeton), G. Friesecke (Munich and Warwick), E. Süli (Oxford), J. Zimmer (Bath).
This joint OxMOS/MD-Network workshop focuses on atomistic models of solids and mathematical aspects of MD in the field of solid mechanics. Specific topics for the workshop include:
- quasi-continuum methods;
- variational approaches;
- mechanics and applications; and
- statistical physics, micro-macro heat transfer.
Invited speakers: A. Braides (Rome II), T. Bodineau (ENS, Paris), M. Dobson (Minneapolis), R. Elliott (Minneapolis), R. Kotecky (Warwick), P. Ming (Chinese Academy of Sciences, Beijing), C. Mora-Corral (BCAM, Bilbao), L. Dupuy (CEA, Saclay), S. Olla (CEREMADE, Paris-Dauphine), B. Schmidt (TU, Munich), L. Truskinovsky (École Polytechnique, Palaiseau), M. Zhou (Georgia Tech, Atlanta).
Where and when:
The workshop will take place on 7-8 December 2009 at the Mathematical Institute, University of Oxford, 24-29 St. Giles, Oxford.
Registration with coffee will be at 9:45-10:15 am.
How to register and get more information:
You can register online on our website at www.maths.ox.ac.uk/oxmos or by email (oxmos@maths.ox.ac.uk). The network will reimburse accommodation and reasonable travel expenses of its members. Please book early to get low fares if possible; this will help us to run more activities within the network.
Students and researchers at the beginning of their careers are particularly encouraged to apply.
CCP5 Annual Meeting 2009
(Posted: 22nd June 2009)
Structure Prediction
September 7, 2009 to September 9, 2009
Location : Bankside Conference Centre, London
For details see http://www.dfrl.ucl.ac.uk/CCP5/ccp5.htm
CECAM Conference
(Posted: 9th February 2009)
Fundamental Aspects of Deterministic Thermostats
July 27, 2009 to July 29, 2009
Location : CECAM-HQ-EPFL, Lausanne, Switzerland
For details see http://www.cecam.org/workshop-293.html
New applications openings for non-UK students in Edinburgh
(Posted: 17th November 2008)
Molecular Dynamics Simulations of Nanomachining
Supervisor: Prof. Graeme Ackland
Although most metal products are created by machining, almost nothing is known about the atomic scale processes involved. In this project you will investigate the chip-formation process at the nano scale, using molecular-dynamic computer simulation on Edinburgh's supercomputers. The objective is to understand why some materials cut easily and smoothly, while others do not. Impurities, dislocations and grain boundaries will be introduced into the model and contact with a rigid tool will be simulated to see the influence on the forces. This project concentrates on, and the results will be compared to, the behaviour of pure titanium single crystals. In addition to the physics and computer science, you will also receive a thorough training in high performance computing. This work is part of an EU project www.mamina.eu, it is available immediately and offers full funding to non-UK students.
Molecular Dynamics Simulations on Iron and Steel
Supervisor: Prof. Graeme Ackland
The properties of steel are incredibly sensitive to the details of the material at the atomic level. Millennia of trial-and-error empiricism have led to a huge variety of steels, yet even now new varieties of crash resistant, radiation resistant and self-healing steels are being made. The processes, by which a small alloying addition will dramatically change machinability, can only be fully explained at the atomic level. Using interatomic forces ultimately based on quantum mechanical calculations, you will carry out simulations at the atomic level on steels using Edinburgh's Supercomputers. In particular you will study the motion of a sharp tip across the material. The strength of obstacles to the tip motion will be studied as well as the existence of easy and hard directions and the effect of pre-existing defects such as grain boundaries, atomic-sized impurities and precipitates. Your results will be compared with experimental data and, if successful, may form the basis of a new generation of steels. This work is part of an EU project www.mamina.eu, it is available immediately and offers full funding to non-UK students.
Job Opening
(Posted: 20th October 2008)
4 year phd position at the Technical University of Eindhoven (Netherlands), Department of Mathematics, in collaboration with members of the Bath node of this network.
Going to the roots: understanding the geometry of diffusion
For ten years mathematicians have been using a gradient-flow formulation of diffusion processes, a formulation that is based on the Wasserstein metric. This powerful method applies to many different systems, has far-reaching consequences, and has a beautiful geometric structure. Until now, however, there is no fundamental understanding of why it works. In this PhD project, supervised by Mark Peletier, we will follow a recent development and attack this issue, by making a new rigorous connection between the diffusive movement of particles on one hand and an upscaled, continuum-mechanics description on the other.
This project is part of the Institute for Complex Molecular Systems, a recently founded interdisciplinary institute at the Technical University of Eindhoven. This institute combines a wide variety of experiments with mathematics and modeling, and aims at scientific breakthroughs in the engineering of complex molecular systems and the foundation of a scientific discussion center at the campus. For a young researcher it offers a stimulating environment, in which both disciplinary training and cross-disciplinary discussions contribute to the training as a scientist.
In the Netherlands phd positions are four-year fixed-term appointments with a salary. For more information please contact Mark Peletier.
Website Launch
(Posted: 14th October 2008)
The MD-Network website has now been launched at: http://www.md-net.org.uk
Sections of the website are still under construction. We request that members who have any projects relevant to the centre please send details to the new webmaster: D.C.Sutton@bath.ac.uk so we can keep the website up-to-date.
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