1. ** Question 1 - Simulated Annealing **

** Question 2 - Review of a project from previous years **

I chose to review David Mazvovsky's project - tubeXYZ.

This project features a tool for creating .xyz files ,which are used for visualization in Aviz, of a nanotube with specified chirality. The atoms of the tube can be carbon, boron or silicon.

The program was written in Fortran 95, implementing the polyhedral model (Lee,Cox and Hill) for calsulating the coordinated of the requested NT.

The project website is very clear and easy to navigate. The instructions are also very clear and detailed and easy to operate.

I created two Carbon nanotubes with chirality vectors (5,0) and (3,3) and here is the visualization in Aviz of the .xyz file created by the tool:

I think this is a very good project, especially because it is very user friendly. This is a great visualization tool.

3.** Question 3 - Seminars Summary **

** Question 4 - My personal homepage **

http://phelafel.technion.ac.il/~sharmal

5.** Question 5 - Drawing a lattice using AViz **

I chose to draw a graphite lattice using AViz with this .xyz file.

- I ran the code used in class. I started off with a square lattice and ran a simulation with 100000 steps at 1000K:

I received a nearly perfect triangular lattice, but there is a noticeable defect. Therefore, I decided to try again at 1200K:

A perfect triangular lattice can be observed. Next, I checked whether fewer steps are sufficient and ran it again with 50000 steps at 1200K:

Again, a noticeable defect can be observed (marked in red). After 80000 steps at 1200K:

and it can be seen that 80000 steps are sufficient to get a triangular lattice.

- Next, I wanted to see what happens if you raise the temperature again after cooling for a while, so I ran the simulation for 50000 more steps at 200K and no meaningful change was observed, followed by 80000 more steps at 1500K and still no apparent change so I tried 80000 more steps at 2000K and the triangular lattice still remains, but you can notice that it is not perfect and the lines are not completely straight:

I have to admit that I expected the lattice to be broken but the simulation was very stable. - I also checked what happens when starting from a random lattice and started with the same conditions that gave me a triangular lattice before - 80000 steps at 1200K, but unfortunately the lattice received was not perfect:

but after 100000 steps:

a perfect triangular lattice was received. My conclusion is that starting from a random lattice requires more steps or higher temperature than starting from a square lattice.

I chose to review David Mazvovsky's project - tubeXYZ.

This project features a tool for creating .xyz files ,which are used for visualization in Aviz, of a nanotube with specified chirality. The atoms of the tube can be carbon, boron or silicon.

The program was written in Fortran 95, implementing the polyhedral model (Lee,Cox and Hill) for calsulating the coordinated of the requested NT.

The project website is very clear and easy to navigate. The instructions are also very clear and detailed and easy to operate.

I created two Carbon nanotubes with chirality vectors (5,0) and (3,3) and here is the visualization in Aviz of the .xyz file created by the tool:

I think this is a very good project, especially because it is very user friendly. This is a great visualization tool.

3.

- Blackbody Radiation Emitted by an Arbitrary Shape Body Using the Source Model Technique
- Structure and parameter estimation of high-dimensional Graphical Models

http://phelafel.technion.ac.il/~sharmal

5.

I chose to draw a graphite lattice using AViz with this .xyz file.