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Thermostating only a few atoms in MD

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.

Mike Ciavarella's picture

Science 2.0: Great New Tool, or Great Risk?

Welcome to a Scientific American experiment in "networked
journalism," in which readers—you—get to collaborate with the author to
give a story its final form.

http://www.sciam.com/article.cfm?id=science-2-point-0-great-new-tool-or-...

 

Review papers

One of the most important things every researcher does in the beginning of his introduction to a topic is review process. Most helpful papers in this regard are review papers. Review papers are important. They are primary and best way to understand the value of a work for the societyto award and grant. They help researchers to find out needs of people who use our research and goal functions of scientific society. Help researchers to find out good topics and also good solutions. And the final effect of a research on the society.

Modeling polyurethane

I've started to look into the modeling of polyurethane.  So far I'v found one paper that specifically looks into how to model the mechanical behavior of PU. It describes a possible constitutive model for PU:

Stress-strain behavior of thermoplastic polyurethanes, Qi,H.J.; Boyce, M.C., Mech. Mater. 2005, 37, 8, 817-839

Does someone know of any other resources on the modeling of PU?  Thanks, Andreas

Steffen Brinckmann's picture

Elastic deformation of substrate due to rotation of rigid pillar

Consider a ridig pillar ontop of a elastic substrate. Applying a moment to the pillar will lead to elastic deformation of the substrate. If the pillar is infinitly large in diameter, then this problem is the same as an infinitely sharp crack, considering the symmetry of the crack problem, i.e. there are square root singularities. However, the infinitly large diameter assumtion does not hold if the global rotation of the substrate under the pillar is of interest, because the both sides of the pillar interact.

Mike Ciavarella's picture

Engineering Happiness

dear imechanica friends

   the Grand challenges  for Engineering make clear that we should work for the good of our Society.  So, how much of technology really makes are happier?

I need help with ABACUS MODELLING

Hello there, I need your help if you can please email me as i can not log into imechanica all the time to check my blogs because the website jams most of the time ,i will appreciate your help.

I need to draw a normal rectangle using abacus and then mesh it and apply force on it and to be as beam???

i tried to do it but i keep getting an error message saying 4 elements have missing property definitions???

If any one can help this is My email is nl1422@hotmail.com

Thank you so much.

How to model composite laminate in Ansys

hi all

i want to make a model of  e-glass epoxy composite laminate with [45(10),0(10)] of 20 layers with out considering the symmetry

i have fundamental knowledge about ansys

please  suggest the procedure

Teng zhang's picture

wave propagation in Hamilton Systems

I am a junior graduate student now, and very interesting in wave motion. My advisor Prof. Zhong wanxie and his PHD student qiang Gao have developed a precise numerical technique to solve the Rayleigh wave frequency equation, which can avoid the missing root. They did a systematic work involving surface wave propagation in a transversely isotropic stratified solid resting on an elastic semi-infinte space, wave propagation in the anisotropic layered media and the propagation of stationary and non-stationary random waves in a viscoelastic, transversely isotropic and stratified half space.

Donald X. Chen's picture

geomechanics

Choose a channel featured in the header of iMechanica: 

Research activities on soil models, porous media, poroelasticity.

Teng Li's picture

Effects of grain boundary adhesion and grain size on ductility of thin metal films on polymer substrates

We study the effects of grain boundary adhesion and grain size on the ductility of thin metal films well bonded to polymer substrates, using finite element method. It is shown that the ductility of polymer-supported metal films increases approximately linearly as the grain boundary adhesion increases, and as the grain size decreases. A rule-of-thumb estimate of the ductility of polymer-supported metal films agrees well with the simulation results.

In press, Scripta Materialia, 2008 

ericmock's picture

Should we be patenting our research

I recently stumbled across the patent that is attached to this post.  It's title 'Simulation of String Vibration' obviously caught my attention.  Hoping there was more to it, I downloaded and read it.  To save you the time, I'll summarize.  It basically reads like a conference paper that would probably not get accepted into any respectable journal.  What is patent is a little more specific than the title would imply but nothing that is any more than a trivial extension of existing research.  Essentially the patent describes a way (finite elements) to simulate the planar vibration of a strin

any idea about boundary conditions to be used when modelling a unit cell of a foam

Dear friends / distinguished imechanicians,

I am trying to use micromechanics in  foams to numerically compute the elastic constants using one unit cell. I see some literature available when simple unit cell shapes are assumed (like cubical or hexagonal). However there is nothing specific about modelling for tetrakaidecahedral foams. Assuming the right boundary conditions would be critical for computing the constants. I am not able to come up with a reapeating pattern for determining the places to apply the boundary conditions.

Citation Statistics Report by the IMU

Here is a report on Citation Statistics written by the  International Mathematical Union written in cooperation with the ICIAM and IMS.

Given all the discussion on impact factors and h-indicies, I thought many people may find this report interesting.

investigation on mechanical properties of clay-polymer nanocomposites

Hi all

I have a question and need for guidence.

I' m working on mechanical properties of polymer based nanocomposites as my thesis. I'm a beaginer in open sourse FEM programs.

I want to modele clay, polymer and specialy interactions between them to investigate bending properties and enhancements.

Is it possible for me to use commercial programs like  ABAQUS? Which programe do you prefer?

I will appreciated if any one could help me to identify witch method is more suitable for investigation in this field.

Thank you. 

Mike Ciavarella's picture

sarko-merkel-airbus

Dear Imechanica friend

 a recent Nature Commentary has generated a lot of interest,
particularly in Europe. Maybe it is of interest, also in response to
Grand Challenges for Engineering?

 

Taxonomy upgrade extras: 
Mike Ciavarella's picture

Europe’s research system must change: Nature Vol 452|24 April 2008

Dear Imechanica friend

 a recent Nature Commentary has generated a lot of interest, particularly in Europe. Maybe it is of interest, also in response to Grand Challenges for Engineering?

I suggest some lines: 

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