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atomistic simulations

Review Article: Atomistic Aspects of Fracture

Submitted by Erik Bitzek on

Any fracture process ultimately involves the rupture of atomic bonds. Processes at the atomic scale therefore critically influence the toughness and overall fracture behavior of materials. Atomistic simulation methods including large-scale molecular dynamics simulations with classical potentials, density functional theory calculations and advanced concurrent multiscale methods have led to new insights e.g. on the role of bond trapping, dynamic effects, crack-microstructure interactions and chemical aspects on the fracture toughness and crack propagation patterns in metals and ceramics.

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

Submitted by mmazdz on

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

Multiscale Short Course in Aachen in August 2012

Submitted by tadmor on

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 http://www.modelingmaterials.org/short-courses

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

Submitted by Vijay Kumar Sutrakar on

 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

Vijay Kumar Sutrakar et al 2012 J. Phys.: Condens. Matter 24 015401 

doi:10.1088/0953-8984/24/1/015401


Abstract: 

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

Submitted by Vijay Kumar Sutrakar on

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
http://www.springerlink.com/content/j2786222101mn711/

Immediate PostDoc Position Available: Nanocomposite Modeling and Experiments

Submitted by vikastomar on

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.