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How to develope a new potential function.

Submitted by prasad matukumilli on

How to develope a new potential function.

For instance, if I want to study a new material system by classical MD, for which the existing potential force fields are not suitable.

I would like to know the standard procedure, how to use the first principle studies/ experimental data and how to select the basic functions...from the experts in this area.

Prasad MVD

User Element for muscle model, with static condensation

Submitted by YKajee on

Hi all

 

I am in the process of developing my first user element in Abaqus, and finding it rather difficult. 

The
application requires modelling muscle behaviour. Hence a spring model
(linear at this stage) with 3 elements: 2 in series with each other,
and these 2, parallel to the third was implemented.

My problem involves static condensation of the stiffness matrix. (similar to mixed-methods)

Any advice/assistance would be great. Especially with regard to development of the user element in Abaqus.

 

Term paper writing

Submitted by Anonymous (not verified) on

   Writing!!!!!!!! Writing!!!!!!!!!!!!! Writing!!!!!!!!!!!!!!!!!

      

Nowadays all of the institutions demand “paper” submission; this is a part of the academy. Even in the high school student, they want to submit some writing like coursework writing, for research students, undergraduate students, and post graduate students – all of the students are suffering to submit papers within the time.

 

Imechanica web has a bug in counting number of reads!!!

Submitted by RoozbehSanaei on

Number of reads increases significantly sometimes i check the posts! I use Firefox 6.0, Dell inspiron 1720, Windows Vista and also Fedora 9.0 Linux!!!. check it please!

 it is better to use number of comments for popular contents instead of number of reads.

 

BEST REGARDS 

ROOZBEH SANAEI

Thermostating only a few atoms in MD

Submitted by prasad matukumilli on

I am trying to apply Berendsen thermostat for CNT. When I choose to leave one third of the tube atoms to evolve freely with out distrubing the momentum, I am unable to acheive the target temperature and further temperature increases gradually over the whole simulation run (even with a thermostat parameter equals to the timestep i.e., like a simple scaling). How it is possible to acheive target temperature,by scaling only a part of atoms, using some scaling value which should actually scales all the atoms momenta.

Fortran 90 library for maximum-entropy basis functions

Submitted by N. Sukumar on

Attached is a tar archive for a Fortran 90 library to compute maximum-entropy basis functions.  I have used the G95 compiler. The manual in PDF is also attached and a html version of the same is also available, which provide details on how to install the code and its capabilities. The library is released under the GNU Lesser GPL version 3 license.