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Azadeh Sheidaei's blog

3-D Microstructure Reconstruction of Polymer Nano-Composite using FIB-SEM and Statistical Correlation Function

reconstruction of Halloysite nanotube (HNT) polypropylene composite has
been performed using two different methods. In the first method,
several slices of the composite material were obtained using focused ion
beam (FIB), and scanning electron microscopy (SEM). A representative
volume element (RVE) of the real material’s micro/nanostructures was

Material model for nanocomposite in high strain rate

Dear All,

I am looking for some paper on material models for polymer nanocomposite
in high strain rate. I will be grateful if someone introduce me some good



Measuring mechanical properties of nanoparticle in nanocomposite using nanoindenter

Hi There,

I am going to measure the mechanical properties of nanoparticle in Nano composite using nanoindenter. I searched through the literature and I did not find any work that measure this individually and all of them measured properties of nanocomposite not the inclusion itself. ThanksAzadeh


Implementation of p-p Interactions in Molecular Dynamics Simulation

Dear All,

I want to simulate polymer system that have pi-pi interaction between

chains and reinforcements. I know there is no implemention of pi-pi

interaction in lammps.

So, Is there another method to consider pi-pi interaction in lammps? or

I can't simulate these system by lammps.



compression molded versus injection molded nano-composite




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high strain rate in MD simulations

Dear All, 

Recently I have read some literatures on Molecular simulation of polymer. My interest is measurement of

mechanical properties of polymer through the uniaxial tensile test.    

I have a question about relatively large time scales in MD simulations of polymer and how to interpret MD

stress-strain results for FE modeling. In particular, in the literature it is mentioned that strain rate of

looking for a self avoiding walk code

HI There,

I am going to generate a polymer chain and I am looking for a hexagonal self avoiding walk (SAW) code (computer program), most 3D free code (C nad fortran) are for qubic latice. 



Material studio vs LAMMPS for nanocomposites

Hi There,

I am going to do MD simulation on polymer nanocomposites in order to measure the mechanical properties and density of the interphase between fiber and matrix. my filler is platetlet. I read some paper in which similiar work has been done some of them with LAMMPS and some using Material studio

I am wondering what is the pros and cons of each. 



Failure criteria for fabric composite or woven composite

Hi All,

Most exisiting failure critera delevolped for fiber composite laminates and they are rough estimations for fabric composite. I want to know if there is a suitable failure criterion for fabric composites.



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