Ashfaq Adnan's blog

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Effect of Surface Morphology on the Stability of Thin Nanostructures

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


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Types of Impurities in single crystal semiconductor nanostructures

Hi,

I am looking for information about formation, distribution,
concentration and stability of impurties/ defect in semiconductors,
specifically for cubic SiC. I have some discrete set of
literartures which are neirther systematic, nor elaborate. I would truly
appricitate if any one can suggest me some references.

 

Sincerely,

-Ashfaq Adnan 


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Need help: Relation between polymer end-to-end distance and mechanical properties

Hi,

I found in polymer books and some literatures that mechanical properties of polymer improve with the increase of their radius of gyration or end-to-end distance for a fixed molecular weight. I, however, could not find any experimental evidence or any physical explanation. 

It will be a great help to me if anyone refer me some literatures that explains the connection between these two parameters.

 Thanks,

Ashfaq Adnan


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Mechanical Properties and Lattice Structure of Single Crystal 3C-SiC

Hi,

I truly appriciate if anyone can help me find mechanical properties and crystal structure of beta SiC single crystals. Any reference or link will be highly appriciated

Sincerely,

-Ashfaq Adnan


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Natural Frequencies for all elements in the Periodic table.

Hi, 

I am interested to know the natural frequencies of elements in the periodic table. I made some attempt to reveal this information but surprisingly ended with nothing. Perhaps I  did not search hard. Does anyone know about the natural frequencies of elements in periodic table.

 

Sincerely,

-Ashfaq Adnan

Doctoral Candidate, School of Aero and Astro, Purdue University, Indiana

 


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Why larger time step is not allowed in Molecular Dynamics Simulation?

Hi, 

I am trying to understand why MD simulation crashes if larger time step (~100 fs) is applied to integrate the equation of motion. I know that there are two major things play role in solving F = ma and obtaining equilibrium solution. One is the accuracy, and the other is numerical stability of the integration algorithm.


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