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MD simulation VS. Continuum mechanical model Of protein

Hi, all

Molecular dynamics (or MC) is a powerful tool in the protein research. There're lots of scientific works in this field, which deepen our understanding gradually. My question follows, "how about the continuum mechaics in protein research".

Any discussions and advices are appreciated.


Kong    5th Sep 2007


Ying Li's picture

The US-China NSF Workshop and Summer Institute of Bio- and Nano-Mechanics and Applications (UCWSI2007)

The US-China NSF Workshop and Summer Institute of
Bio- and Nano-Mechanics and Applications (UCWSI2007)
August 31 -- September 4, 2007
Beijing, China

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Brittle fracture down to femto-Joules — and below

I found an interesting paper on the arXiv website that may interest some mechanicians.  Markus

Title:  Brittle fracture down to femto-Joules — and below

Authors: J. Astrom, P.C.F. Di Stefano, F. Probst, L. Stodolsky, J. Timonen 

Introduction to Systems Biology

How does the cell know when to produce a protein? Why does it produce this protein? How does it produce this protein so accurately, in transcription, timing, and concentration? It is amazing that the cell functions as precisely as it needs to in response to various stimuli. What is more amazing is that the cell's actions are a result of stochastic processes.

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ASME Applied Mechanics Division: Call for Nominations 2007-2008 Awards

The AMD Executive Committee is now seeking nominations for the following awards: the Timoshenko Medal, the Koiter Medal, the Drucker Medal, the AMD Award and the Young Investigator Award. The deadline for nominations is October 1, 2007. Please see the AMD website for details.

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Non-planar crack growth (X-FEM and fast marching)

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Xuanhe Zhao's picture

Stretching and polarizing a dielectric gel immersed in a solvent

      This paper studies a gel formed by a network of cross-linked polymers and a species of mobile molecules. The gel is taken to be a dielectric, in which both the polymers and the mobile molecules are nonionic. We formulate a theory of the gel in contact with a solvent made of the mobile molecules, and subject to electromechanical loads. A free-energy function is constructed for an ideal dielectric gel, including contributions from stretching the network, mixing the polymers and the small molecules, and polarizing the gel.

Aaron Goh's picture

Foods and Composite Materials

Foods are good examples of composite materials that everyone can relate to.  From foams like ice creams to emulsions like spreads to hydrogels like jams to viscoelastic solids like cheese to porous, brittle solids like crisps, the properties of these multiphasic, heterogeneous materials are most important in the mouth where they are broken down via mechanical, chemical or thermal means.  Unlike many structural materials where the design strategy is to achieve the highest strength or toughness, foods are designed to break down in a particular manner and only under particular conditions.  A n

Xuxin_Tu's picture

Prof. Jose E. Andrade to be awarded the 2006 Zienkiewicz medal

Professor Jose E. Andrade from Northwestern University is the
recipient of the 2006 Zienkiewicz medal awarded biennially by the
Institution of Civil Engineers from London. The award goes to Andrade
for his contribution entitled ' Capturing strain localization in dense
sands with random density' in IJNME 2006; 67:1531-1564 DOI:
10.1002/nme.1673 (link:

Our sincerest congratulations to Prof. Andrade!

Carl T. Herakovich's picture

Research Directions in Computational & Composite Mechanics

A Report of the United States National Committee on Theoretical and Applied Mechanics (USNC/TAM), June 2007  

Kejie Zhao's picture

A MD simulation of nano-void growth in Copper under uniaxial tension

Recentely we did a MD simulation work on the nano-void growth in Copper, welcome to my blog for any discussion..

Emilio P. Calius's picture

Research Positions in Modeling of Solids and Structures

Please see attachment for details of Computational Mechanics researcher openings at Industrial Research (, a Crown Research Institute in beautiful New Zealand.

The role involves the application of advanced modeling and simulation methods to research on solids and structures, with an emphasis on complex systems such as composites and meta-materials, or solids with multiple defects and discontinuities.

The position is research oriented but also provides opportunities to consult with industry on commercial projects.

Candidates with expertise in theory and computation of elastic wave propagation, the mechanical behavior of composites, structural dynamics, or acoustics are encouraged to apply.

hmdthr's picture

Theoretical Notes (ALE)

 I need some detailed informations about topics below:
 Single material ALE
 -Advection schemes
 -Mesh smoothing algorithms
 Multi-material ALE
 -Volume fraction weighted stress
 -Interface reconstruction
 -Moving mesh techniques
 -Constraint based method
 -Penalty based method
Can anybody help me?

Thanks alot


Teng Li's picture

Post-Doc position on surgical simulation at University of Maryland, College Park

From Prof. Jaydev P. Desai at University of Maryland:


Post-Doc position at University of Maryland, College Park:

Some loud (and crazy) thinking on automobiles...

At iMechanica, almost none talks about topics from structural dynamics and design, theory of machines, automotive mechanics, space mechanics, etc.

Let me help correct this situation by raising two questions below. Well-thought answers from any individual are welcome.

First, some background for the questions.

karelmatous's picture

Research Programmer in Computational Mechanics

The Computational Science and Engineering Program of the University of Illinois at Urbana-Champaign is seeking highly qualified candidates for two research programmer positions. The positions are in the general area of Computational Solid Mechanics. Successful candidates will develop and implement parallel computational tools. Candidates should be able to interact with faculty and students from a wide variety of UI engineering and science departments, and be prepared to work closely with U.S. government and industry researchers.

Bent F. Sørensen's picture

Time for registration for "Interface Design of Polymer Matrix Composites - Mechanics, Chemistry, Modelling and Manufacturing"

The programme for the 28th Risø International Symposium on Materials Science has now been finalized (see ).

 The Symposium is held at Risø National Laboratory, The Technical University of Denmark, 3-6 September 2007. 

 To sign up for the conference, please register up via the Symposium homepage:  


Henry Tan's picture

Forces and Newton's laws of motions

Newton's laws of motion

An object at rest tends to stay at rest and an object in motion tends to stay in motion with the same speed and in the same direction unless acted upon by an unbalanced force.

The acceleration of an object as produced by a net force is directly proportional to the magnitude of the net force, in the same direction as the net force, and inversely proportional to the mass of the object.

Carl T. Herakovich's picture

Dusan Krajcinovic has passed away

Dusan Krajcinovic, retired professor of mechanical and aerospace engineering at Arizona State University, passed away on August 10, 2007, after a long illness.  Dusan was active in the mechanics community.  In addition to his teaching and research activities, he was a past member and chair of the Applied Mechanics Divison of ASME.  He also served a term on the U. S. National Committee on Theoretical and Applied Mechanics. He authored the book Damage Mechanics published by North-Holland in 1996.  He will be missed by all those who knew him.


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