2.37/2.370 Class Home

2.37/2.370 Molecular Mechanics

Fall 2007

Instructor: Nicolas Hadjiconstantinou

TA: Ghassan Fayad

Lecture: MW11-12.30 (3-343)

Contact Information:

Lectures: Professor Nicolas Hadjiconstantinou, Room 3-364, x2-2280, ngh@mit.edu

TA : Ghassan Fayad, Room 3-355A, x8-5753, gfayad@mit.edu

Announcements

Final Assignment (NO COLLABORATION)

Dear Class,

The Final Assignment that I posted is your final take home exam and you have to solve it alone, no collaboration at all. I have posted the solution for PSet 9 so now you have the solutions for ALL Problem Sets.

Thank you and Good Luck,

Ghassan

Announced on 08 December 2007 12:22 a.m. by Ghassan Fayad

2.37 Project Report Details

Dear Class,

Some students are asking about how detailed is the report should be:

It is stated in the project statement what the deliverables are.

Here is a more detailed list:

1- Clearly describe the steps of your Algorithm in details and the basic features of your numerical implementations.

2- Reporting results:

a- Equilibrium Properties of Argon

b- Compare with the Monte Carlo program given in Problem Set 8

c- Calculate Pressure and coefficient of diffusion for liquid Argon at 140 K

Comment on all of your results and show some physical insight.

Show PERCENT Error when you compare Values with Monte Carlo or Experimental Values!!

3- Show a plot of Mean Square displacement (<|r-r0|^2>) versus time.

4- Show a 3D plot of the particles initial configuration and final configuration

5- Please provide a print out of the code

6- Please submit the code online on Stellar

7- Reference any source/material you used.

Diffusion of Argon:

At T=85K and P=0.92atm the diffusion coefficient for Liquid Argon D=1.53e-5 cm^2/sec

(Self Diffusion in Liquid Argon, G. Cini-Castagnoli, J. of Chem. Phys. 1960, 32, 19-20)

There are other papers in the literature that will give you a rough estimate on what you should expect for D. Remember we are asking you to calculate D at T = 140 K…

Feel free to submit the report on Stellar too

If you have any question please do not hesitate to contact me,

Good Luck,

Ghassan

Announced on 04 December 2007 11:10 p.m. by Ghassan Fayad

Recitation this Friday Nov 30, 2007

Dear Class,

During recitation this Friday Nov 30, 2007 I will be in class room 5-233 from 2 to 3 pm to answer any questions you might have about the term project. Undergraduate students are welcome to come ask questions about the homework.

Thank you,

Ghassan

Announced on 29 November 2007 11:56 p.m. by Ghassan Fayad

Special Office Hours

Dear Class,

Since next Thursday is a Holiday . I will be holding office hours on Wednesday November 21 from 2:00 to 3:00 pm in my office (room 3-355A). Please stop by office hours if you have questions since I will be able to give your more help with the homework than through email and please start working on the Problem Set in advance not the night before it is due. Problem Set 8 is due on Monday November 26.

Thank you,

Ghassan

Announced on 16 November 2007 3:49 p.m. by Ghassan Fayad

Code Submission for Problem Set 7

Dear Class,

Please do not forget to submit your Codes in one zip file with your last name for Problem Set 7. Thanks to those who already submitted their code. Have a great weekend.

Thank you,

Ghassan

Announced on 16 November 2007 3:40 p.m. by Ghassan Fayad

View archived announcements