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Updated: 8 hours 44 min ago

Post Doctoral Fellowship - Requested - Reg.

Mon, 2018-07-30 01:01

In reply to Ph.D and Post-doc Positions Open

Dear sir/Madam,               I have completed my doctoral degree in mechanical engineering, which covers the areas like Tribology, Vibration Condition Monitoring, Heat Treatment & Self Lubricating Composite Materials. I am looking for Post Doctoral Fellowship. In this regard, I kindly request you to consider my request.  
 Note : Resume is attached with this mail for your kind referance

Please send your question to

Sun, 2018-07-29 22:25

In reply to Questions About The Relation Between Mindlin's Strain Gradient and Eringen's Nonlocal Linear Elasticity Theories

Please send your question to Mr Dr Asghari. Hopefully he knows more about this. 

"Do you think this argument

Sun, 2018-07-29 17:25

In reply to Dear Prof. Suryanarayana,

"Do you think this argument is correct in theory? "

No, even when a single k-point is employed, a plane-wave code is employing periodic boundary conditions, i.e., there is interaction between a system and its replicas. The typical strategy is to utilize a large enough vacuum such that this interaction is negligible relative to the accuracy of interest. However, depending on the type of system (e.g. those which have dipole moment), the convergence with vacuum can be extremely slow.

"Also, I would like to know if the above mentioned codes are available on Github or Is there any plan, in future, to implement them in some open-source software packages?"

SPARC and SQDFT have already been released as open source codes. They can be found accompanying the paper. The others will be released as open source in the near future.


Dear Prof. Suryanarayana,

Sun, 2018-07-29 11:23

In reply to Re: DFT calculations for dislocations

Dear Prof. Suryanarayana,


Thanks for picking this topic.

I ,also, have a question regarding the boundary condition when DFT approaches has been employed in the plane-wave basis(aka Fourier basis).  

As already mentioned by you this approach is restricted to periodic boundary conditions. I read few papers which are calculating surface energies (and interface energy) using plane wave basis approach by creating vacuum in one direction and using only one kpoint in that direction[1,2]. The argument is that the vacuum and single kpoint does not allow the interaction between the surfaces. Do you think this argument is correct in theory? 

If yes, then using same argument can we create vacuum in all directions and restrict our kpoints in the vicinity of atoms rather than distributing them in supercell(which contains vacuum also). The only difference will be that we will be needing more than one kpoints in the directions of vacuum for kpoint convergence. The interaction between kpoints from nearby periodic cells can be restricted if kpoints are in vicinity of atoms. Kindly let me know your thoughts on this.

Also, I would like to know if the above mentioned codes are available on Github or Is there any plan, in future, to implement them in some open-source software packages?

Thank you, 

[1] Miguel Fuentes-Cabrera, M. I. Baskes, Anatoli V. Melechko, and Michael L. Simpson, 2008. Bridge structure for the graphene/Ni(111) system: A first principles study. Physical review B 77, 035405. 

[2] Zhiping Xu and Markus J Buehler. Interface structure and mechanics between graphene and metal substrates: a first-principles study. Journal of Physics Condensed Matter 22 485301.


Material is cast inconel

Thu, 2018-07-26 22:45

In reply to More details would be needed.

Thanks. Please suggest some good books, papers, links on thermally induced residual stress. The region of interest is strain controlled.

More details would be needed.

Thu, 2018-07-26 12:23

In reply to Thermally induced residual stress

More details would be needed. Type of material, process through which it is made and so on.

Abaqus mailing list

Wed, 2018-07-25 16:47

In reply to Modeling Soil around pipeline with stiffeners in abaqus



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If you are interested in

Wed, 2018-07-25 15:44

In reply to Abstract Submission to ICME Prize Extended to August 24.

If you are interested in submitting, please request the extension from Prof. Wenbin Yu at​


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