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molecular dynamics

keten's picture

Postdoctoral Position At Northwestern University

A postdoctoral associate position is available immediately at the Computational Nanodynamics Laboratory at Northwestern University with Prof. Sinan Keten. This research project focuses broadly on the atomistic and multi-scale modeling of biomolecular materials such as nanocellulose and their interfaces with polymers. A Ph.D. in a related field is required for this position. Expertise in atomistic and molecular modeling techniques (molecular dynamics, density functional theory, coarse-grained molecular simulations) is required. Additionally, a strong background in soft matter research (polymer science, biophysics, or related areas) is highly desired. Interested candidates should send a CV, a summary of research interests, contact information of three references, and three most relevant publications as a single pdf file to s-keten@northwestern.edu. Evaluations will begin immediately, and the start date is flexible.

Jingjie Yeo's picture

International Journal of Computational Materials Science and Engineering (IJCMSE)

As the Editorial Board member of IJCMSE, I enthusiastically welcome the high quality submissions from the community of iMechanica. The objective of the journal is the publication and wide electronic dissemination of innovative and consequential research in all aspects computational materials science and engineering, featuring the most advanced mathematical modeling and numerical methodology developments.

Jingjie Yeo's picture

Unusually low and density-insensitive thermal conductivity of three-dimensional gyroid graphene

http://dx.doi.org/10.1039/C7NR04455K Graphene has excellent mechanical, thermal and electrical properties. However, there are limitations in utilizing monolayers of graphene for mechanical engineering applications due to its atomic thickness and lack of bending rigidity. Synthesizing graphene aerogels or foams is one approach to utilize graphene in three-dimensional bulk forms. Recently, graphene with a gyroidal geometry has been proposed.

Pär Olsson's picture

Available PhD position at the Division of Mechanics at Lund University

The Division of Mechanics at Lund University, Sweden, invites applicants for a PhD position oriented towards multiscale modelling of grain boundaries in metals. The research program focuses on improving the understanding and modelling capabilities of impurity induced grain boundary embrittlement, with special emphasis fusion reactor materials, i.e. primarily tungsten.

Jaafar El-Awady's picture

Postdoc Positon in Atomic and Coarse-Grained Simulations of Epoxy Polymers (U.S. Citizenship or Green Card only)

Postdoc Positon in Atomic and Coarse-Grained Simulations of Epoxy Polymers 

(Grant Requirement: U.S. Citizenship or Green Card)

 

We are soliciting applications from outstanding candidates for a postdoctoral research position in the Computational & Experimental Materials Engineering Laboratory, at the Department of Mechanical Engineering, Johns Hopkins University. This will be a one year position renewable depending on performance.

 

Kmomeni's picture

PhD Position in Multiscale Modeling of Hierarchical Materials

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 writing computer code (preferably using C/C++).

Kmomeni's picture

PhD Position in Multiscale Modeling of Hierarchical Materials

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++).

Jingjie Yeo's picture

Free-standing graphene slit membrane for enhanced desalination

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.

Jingjie Yeo's picture

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

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.

Jingjie Yeo's picture

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

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.

Jingjie Yeo's picture

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

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.

Shailendra's picture

Suppression of Shear Banding and Transition to Necking and Homogeneous Flow in Nanoglass Nanopillars

In order to improve the properties of metallic glasses (MG) a new type of MG structure, composed of nanoscale grains, referred to as nanoglass (NG), has been recently proposed. Here, we use large-scale molecular dynamics (MD) simulations of tensile loading to investigate the deformation and failure mechanisms of Cu64Zr36 NG nanopillars with large, experimentally accessible, 50 nm diameter.

Jingjie Yeo's picture

Peptide–Graphene Interactions Enhance the Mechanical Properties of Silk Fibroin

http://pubs.acs.org/doi/abs/10.1021/acsami.5b05615 Studies reveal that biomolecules can form intriguing molecular structures with fascinating functionalities upon interaction with graphene. Then, interesting questions arise. How does silk fibroin interact with graphene? Does such interaction lead to an enhancement in its mechanical properties?

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