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molecular dynamics

PhD Position in Multiscale Modeling of Hierarchical Materials

Submitted by Kmomeni on

A PhD position is open for summer or fall 2017 in Advanced Hierarchical Materials by Design Lab at Louisiana Tech University on multiscale modeling of hierarchical materials with an emphasis on nanocomposites. The candidates must have earned a M.Sc. degree in Mechanical Engineering or related fields and have a solid background in theoretical and computational mechanics, specifically continuum mechanics and finite element modeling, and need to have the knowledge of w.riting computer code (preferably using C/C++).

Free-standing graphene slit membrane for enhanced desalination

Submitted by Jingjie Yeo on

http://dx.doi.org/10.1016/j.carbon.2016.09.043 This study considers two novel ideas to further explore and enhance the graphene membrane for desalination. Firstly, while earlier molecular dynamics (MD) simulations studies have used frozen membranes, free-standing membrane is considered here. Since 2D membranes are usually embedded on porous support in the experimental reverse osmosis (RO) process, the free-standing membrane can more accurately model the behavior expected during operation.

Effects of Nanoporosity on the Mechanical Properties and Applications of Aerogels in Composite Structures

Submitted by Jingjie Yeo on

Newly published book chapter - http://link.springer.com/chapter/10.1007/978-3-319-31662-8_4 Aerogels are ultralight solids with nanoporous structure and are one of the world’s lightest materials available in the market. It is a dry gel, principally made up of 99.8 % of air and weighing just around three times that of air. The first aerogels were realized in 1931, when Kistler (J Phys Chem 36:52–64, 1932) attempted to remove liquid from a wet gel.

Effects of Nanoporosity on the Mechanical Properties and Applications of Aerogels in Composite Structures

Submitted by Jingjie Yeo on

Newly published book chapter - http://link.springer.com/chapter/10.1007/978-3-319-31662-8_4 Aerogels are ultralight solids with nanoporous structure and are one of the world’s lightest materials available in the market. It is a dry gel, principally made up of 99.8 % of air and weighing just around three times that of air. The first aerogels were realized in 1931, when Kistler (J Phys Chem 36:52–64, 1932) attempted to remove liquid from a wet gel.

PhD Position in Computational Nanomechanics/Materials Science at New Jersey, USA

Submitted by Dibakar Datta on

 * This is a new open position * 

The Department of Mechanical and Industrial Engineering (http://mie.njit.edu) at the New Jersey Institute of Technology (http://www.njit.edu), United States has opening for one fully funded PhD position. The position will start from Spring 2017 (January 2017)Application deadline is end of August 2016. Interested candidates are encouraged to send an email with detail CV.

Adsorption and Conformational Evolution of Alpha-Helical BSA Segments on Graphene: A Molecular Dynamics Study

Submitted by Jingjie Yeo on

http://dx.doi.org/10.1142/S1758825116500216 Molecular dynamics (MD) simulations are performed to investigate the adsorption mechanics and conformational dynamics of single and multiple bovine serum albumin (BSA) peptide segments on single-layer graphene through analysis of parameters such as the root-mean-square displacements, number of hydrogen bonds, helical content, inter- action energies, and motions of mass center of the peptides.