Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is
a new research centre at the Ruhr-University Bochum, Germany. At
ICAMS an interdisciplinary team of scientists from engineering,
materials science, chemistry, physics and mathematics is working on
the development and application of a new generation of simulation
tools for multi-scale materials modelling.
Has anyone done MD simulation about projectile? Like a rigid body penetrating a thin target? I have recently heard that a group in Uni of southern california did such a simulation before. I will be appreciated if someone could afford me some information.
Thanks in advance.
I am looking for a freeware molecular dynamics software working for Windows operative systems.
I have tried LAMMPS, but it seems to me that it works only under UNIX.
Thank you very much in advance for any information.
Best wishes, Marco Paggi
We have combined the EAM and the SW and the TF potentials in one
functional form. This functional form allows the modeling of metal
covalent systems (M-Si,Ge,C,SiC) very efficiently allowing the study of
large systems. The potential iscalled as the "Angular-dependent
Embedded Atom Method".
We have combined the EAM and the SW and the TF potentials in one functional form. This functional form allows the modeling of metal covalent systems (M-Si,Ge,C,SiC) very efficiently allowing the study of large systems. The potential iscalled as the "Angular-dependent Embedded Atom Method".
Please see the job-announcement attached, for a better format.
PhD or Postdoc position
The Interdisciplinary Centre for Advanced Materials Simulation (ICAMS) is a new research centre at the Ruhr-University Bochum, Germany. At ICAMS an interdisciplinary team of scientists from engineering, materials science, chemistry, physics and mathematics is working on the development and application of a new generation of simulation tools for multi-scale materials modelling.
Stress-induced phase transformation and pseudo-elastic/pseudo-plastic recovery in intermetallic Ni–Al nanowiresSubmitted by Vijay Kumar Sutrakar on Sun, 2009-07-05 08:04.
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 "10.1088/0957-4484/20/29/295705" 2009 Nanotechnology 20 295705 (9pp) doi:
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.
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.
I have enjoyed learning about such models and believe they may have practical application in nanomechanics. However, I find my breadth of my knowledge challenged when it comes to understanding the model's derivation.
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
Arun K. Subramaniyan and C. T. Sun, accepted for publication in International Journal of Solids and Structures, doi:10.1016/j.ijsolstr.2008.03.016
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
the velocity terms in the definition of virial stress as many authors
have recently suggested, can cause significant errors in interpreting
MD simulation results at elevated temperatures (T > 0 K).
Expected starting date: April 01, 2008 (if no issue with work VISA for international applicants)
Duration: One year with a possibility of another year's extension subjected to availability of funds.
Reponsiblity: Work with two graduate students and one faculty in a core group focussed on experimental and simulation based bio-nanomechanical analyses of biomaterials. We are in need of a PhD with sound knowledge of fundementals related to the "keywords/tags" in the message to execute the research plans in a fast manner. We have in-house availability of the state of the art in computational as well as experimental resources. Please email me at email@example.com with your CV to discuss more. Thanks.
Industrial Placement (2007/2008)
Supervisor: Henry Tan
School of Mechanical, Aerospace and Civil Engineering
The University of Manchester
Material Point Method for impact, fracture, fragmentation and explosion
Mr. Jayveer Thakoor
Industrial Placement: Optimising superplastic form die shape for next generation aero engine production, a design project from Rolls-Royce plc.
Mr. Waqas Ahmad
Individual Projects (2007/2008)
Supervisor: Henry Tan
School of Mechanical, Aerospace and Civil Engineering
The University of Manchester
The stress-strain behavior and incipient yield surface of nanoporous single crystal copper are studied by the molecular dynamics (MD) method. The problem is modeled by a periodic unit cell subject to multi-axial loading. The loading induced defect evolution is explored. The incipient yield surfaces are found to be tension-compression asymmetric. For given void volume fraction, apparent size effects in the yield surface are predicted: the smaller behaves stronger. The evolution pattern of defects (i.e., dislocation and stacking faults) is insensitive to the model size and void volume fraction. However, it is loading path dependent.
Thank you for your interest shown in my previously posted work. Here's a post-print for an article of an extension to my previous work. Extension in the sense that the MD simulation was performed on "larger" metallic nanowires (2.0 nm to 6.0 nm), and the behavior of gold (Au) nanowires were studied. The mechanism behind strain-induced amorphization was explained and the phenomenon of multiple necking was observed, implying the presence of "localized" amorphization instead of a "globalized" one observed in shorter nanowires.
A special session on Multiscale Modeling and Simulation of the thirteenth Pacific Symposium on Biocomputing (PSB) will be held January 4-8, 2008, on the Big Island of Hawaii. Paper submissions are due on July 16, 2007. This special session is being co-organized by NIH National Center for Biomedical Computing (Simbios) and the NIH funded National Biomedical Computing Resource (NBCR). PSB brings together top researchers from North America, the Asian Pacific nations, Europe and around the world to exchange research results and address open issues in all aspects of computational biology.
We want to draw your attention to and encourage your participation in a special session on Multiscale Modeling and Simulation of the thirteenth Pacific Symposium on Biocomputing (PSB), to be held January 4-8, 2008, on the Big Island of Hawaii. PSB is an international, multidisciplinary conference with high impact on the theory and application of computational methods in problems of biological significance.
This paper has been published in Journal of the Mechanics and Physics of Solids 56 (2008), pp. 1609-1623 (doi:10.1016/j.jmps.2007.07.013).
An Australian Research Council funded PhD Scholarship is available in the Department of Civil Engineering at Monash University in Australia in the area of computational mechanics. The objective of this project is to develop a multi-scale bifurcation-based decohesion model within the framework of the Material Point Method (MPM), one of the meshfree methods, for simulating glass fragmentation under blast loading. The proposed multi-scale decohesion model will be calibrated by combining molecular dynamics and continuum mechanics approaches, and the simulation results will be verified by available experimental data.
I am trying to find out the theoretical adhesive strength limit of a few materials, or more precisely the ratio adhesive strength limit to elastic modulus. I think this is after all part of the Lennard-Jones constants potential - theoretical adhesive strength limit is simply the maximum of the curve.
Considering the MD (molecualr dynamics) simulation programs, they enable us to define the initial crack and then using different theories they propagate the crack. This process is actually a dynamic feature at least when the sample is going to fail. Here is the question that present in the most modellers assumptions, which will limit the simulation or maybe it is not possible to simulate the process with out these assumptions. One of them which I would like to know your ideas about is the linear velocity which come into conclusions before the simulations start. Actually is this linear velocity remains constant or increase with definite constant acceleration (rate) as crack propagates? I think the answer is No, so why we assume that this theory is accurate?