Dear friends,
I want to share our recent research work on NiAl nanowire, which is published in Nanotechnology, IOP publishing. The abstract of the paper is given below. Further details can be found at "Vijay Kumar Sutrakar et al 2009 Nanotechnology 20 295705 (9pp) doi: 10.1088/0957-4484/20/29/295705"
Hi Friends
I want to share some of our recent research work on the stress induced phase transformation of CuZr nanowire which is published in Materials Letters.
How does one calculate the phonon dispersion relations from the output of a molecular dynamics simuation?
I have successfully calculated the complete phonon density of states using a fourier transform of the velocity autocorrelation function, but I am still confused as to how to calculate the particular phonon dispersion curves.
Thank you.
Can anybody tell me what is the most suitable software for molecular dynamic simulation of CNT from SIESTA and Material Studio?
I recently encountered the research of Phil Attard and others, in which the contact problem is solved, relaxing the restrictions of the traditional contact models (Hertz, JKR, DMT) and solving based on a formulation where the governing equations are derived using finite-range surface forces and calculated numerically, self-consistently.
We are seeking to hire an outstanding candidate as a post-doctoral fellow to work on large-scale molecular dynamics of polymers and polymer composites. The project focuses on the characterization of the molecular mechanisms that govern the mechanical responseof these materials. The successful candidate will work in the Strachan group and will have the opportunity to interact with experimentalists and theoreticians in academia, industry and national labs.
We have recently studied the atomic scale structural stability of
freestanding wavy gold (Au) nanofilms using molecular dynamics
simulations. In recent years, wavy or patterned structurs have shown great promise for applications in various emerging technologies including fuel cells
engineering, tissue engineering, biomedical engineering, creation
of counterfeit-resistant documents , nanolithography in microelectronics, optoelectronics, nanomachinesand many others. It is out of question that the success of these novel applications lies on one crucial factor – the
The equivalence of the virial stress and Cauchy stress is reviewed
using both theoretical arguments and numerical simulations. Using
thermoelasticity problems as examples, we numerically demonstrate that
virial stress is equivalent to the continuum Cauchy stress. Neglecting
Expected starting date: April 01, 2008 (if no issue with work VISA for international applicants)
Salary: Negotiable
Duration: One year with a possibility of another year's extension subjected to availability of funds.
