Shahid Ali

11 Questions 7 Answers 0 Followers

Questions related from Shahid Ali

Methanation Kinetic modeling?

Hi, I am trying to develop a methanation model in Matlab/Simulink. I need some suggestions regarding kinetics of the methanation process. Since there are many kinetics studies available in the...

01 January 2018 3,295 4 View

Modified Arrhenius equation rate constants?

Hi, I have a question regarding modified Arrhenius equation: k=ATbexp−E/RT Does anyone knows how to choose the term temperature exponent 'b' for a specific reaction. The only thing I can find...

01 January 2018 5,975 11 View

Methanation in matlab?

Hi, I am trying a methanation model in Matlab/Simulink. If somebody has worked on it already, I would like to ask few questions. Thanks!

11 November 2017 3,535 2 View

Structure relaxation and energy minimization - can anyone help?‏

I am trying to do structure relaxation and energy minimization by using Reax, eam and meam poetntials for nanorods (you can see input and data files in attachment). Before I did both relaxation...

09 September 2014 5,551 7 View

Does anyone know/worked experimentally on normal surface relaxation of gold (plain surfaces)?

Actually we are working computationally and want to compare our results. I would really appreciate your suggestion/help. Thanks!

08 August 2014 5,200 0 View

Can anyone help with the structural alignment of Nanorods?

I want to do structure alignment of nanorods (see in attachment) for strain and displacement vector calculation. I would really apperciate your comment/suggestion. Thanks!

08 August 2014 6,173 4 View

How should I calculate displacements along the axis of a Nanorod?

Hi, I want to calculate the displacements along the axis of Nanorod to see the strain effect. You can see the structure of nanorod in attached file. There is command Displace/atom in lammps but I...

08 August 2014 9,930 3 View

Can anyone help with a nanorod structure for Lammps calculations?

I want to generate a Gold nanorod structure for stress/strain calculations in lammps. If somebody has experience/suggestion please comment. Thanks! ps: I know how to generate slab or bulk...

07 July 2014 4,974 1 View

Can anyone help me with strain calculations in Lammps?

I want to do strain calculations for Au nanoparticles. How can I do this in Lammps? I would appreciate your suggestions.

06 June 2014 4,508 5 View

How to keep slab layers constant in Lammps?

I have a 14 layers slab and want to perform optimization for the topmost half layers by keeping rest of them constant. How to achieve this?

06 June 2014 9,051 4 View

Plant layout Optimization

Hi, Does anyone know any software or method or a good paper or book that proposes how to build an optimum plant layout. For example think that we already have a plant and we want to extend it....

01 January 1970 2,602 8 View