atomistic simulations

Ying Li's picture

Challenges in Multiscale Modeling of Polymer Dynamics

Ying Li , Brendan C. Abberton , Martin Kröger and Wing Kam Liu 

mmazdz's picture

3rd International Conference on Material Modelling incorporating the 13th European Mechanics of Materials Conference

Dear Colleagues,
During the last decades material modelling has become a field of central
scientific importance. Although there exist many workshops, meetings,
colloquia, etc. on specific materials, and particular applications, here a
single conference dedicated to material modelling with all its various
facets is intended. To this end, the aim of the ICMM conference is to bring
together researchers from the various fields of material modelling and
materials characterization. The intention here is to cover essentially all
aspects of material modelling. This will provide the opportunity for
interaction among and exchange between scientists working in different

Tim Rupert's picture

Postdoctoral Scholar - Atomistic Simulation of Nanocrystalline Materials

A postdoctoral scholar position is currently available in the Nanoscale Mechanics and Materials Laboratory (NNML) at the University of California, Irvine.  We are seeking an individual with a strong background in atomistic simulation of materials.  The research project will focus on understanding structural evolution and failure processes in nanocrystalline materials, as well as damage and crack initiation at grain boundaries. A Ph.D. in Materials Science, Mechanical Engineering, Physics, or a related field is required.  Experience with parallel molecular dynamics codes (e.g., LAMMPS) is preferred, but capable and enthusiastic applicants with other computational backgrounds will also be considered.

tadmor's picture

Multiscale Short Course in Aachen in August 2012

Dear Colleague:

An intensive 4-day short course on the fundamentals of continuum, atomistic and multiscale modeling of materials will be held at AICES in Aachen, Germany during August 14-17, 2012. The course will be taught by Profs. Ellad Tadmor and Ronald Miller. Please see the attached flyer for more information.

Enrollment is limited so early registration is recommended. To register, visit

Please feel free to distribute or post the attached flyer as you like.

Hope to see you in Aachen,


Ellad Tadmor and Ronald Miller

Temperature–pressure-induced solid–solid 〈100〉 to 〈110〉 reorientation in FCC metallic nanowire

 I would like to share our recent research work on FCC metallic nanowires, which is published in Journal of Physics : Condensed Matters (IOP) . The abstract of the paper is given below. Further details can be found at

Designing copper–zirconium based nanowires for improving yield strength and plasticity via configuring surface atoms

Following our previous work on Cu-Zr nanowire system, in this paper we have shown improvement in various thermo-mechanical properties of nanowire via manipulating the surface atoms. The paper titled "Designing copper–zirconium based nanowires for improving yield strength and plasticity via configuring surface atoms" by Vijay Kumar Sutrakarand D Roy Mahapatra has been published in Journal of Nanoparticle Research. The paper can be downloaded from
The Abstract of the paper is given below:

tadmor's picture

KIM seeking postdoc for NSF CI TraCS fellowship

Dear Colleague:

The Knowledgebase of Interatomic Models (KIM) project ( is seeking a postdoctoral candidate to sponsor for an NSF Fellowship for Transformative Computational Science using Cyber Infrastructure (CI TraCS). The successful candidate will work closely with the KIM PIs to develop a comprehensive and detailed CI TraCS proposal based on the needs and goals of the KIM project.

Applications are due by Monday, November 14, 2011.

For more information please see the attached announcement. Please feel free to distribute this announcement to anyone who may be interested.


Ellad Tadmor

vikastomar's picture

Immediate PostDoc Position Available: Nanocomposite Modeling and Experiments

A post-doc position is available at the University of Notre Dame in Aerospace and Mechanical Engineering. The project focuses on nanocomposite deformation modeling and performing corresponding experiments using primarily atomic force microscope and X-ray diffractometer. Initial position is for one-year and is extensible for another year contingent upon continued funding. The position offers attractive collaborative opportunities with national labs and material synthesis groups across different universities. Salary is negotiable. Please contact me ( for more details. The tentative start date is May 01, 2008. Thank You.

Henry Tan's picture

Combined atomistic and continuum simulation

H. Tan, 2003
Chapter 12, Combined atomistic and continuum simulation for fracture and corrosion

Comprehensive Structural Integrity (
Volume 8: Interfacial and Nanoscale Failure

Mike Ciavarella's picture

Does anyone know a collection of Lennard Jones potential material constants??

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.

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