molecular dynamics

An immediate fully-funded Ph.D. position is open inAdvanced Hierarchical Materials by Design Labat Louisiana Tech University on multiscale modeling of materials under extreme conditions. The project involves collaboration with the computational research groups at national labs, as well as experimental researchers from MIT and GeorgiaTech to test and validate the models and codes.

Two PhD positions are open for Spring 2019 inAdvanced Hierarchical Materials by Design LabatLouisiana Tech Universityon multiscale modeling of materials under extreme conditions. The candidates must have earned a degree in Mechanical Engineering or related fields (applicants with a MSc will be given priority) and have a solid background in theoretical and computational mechanics. Having knowledge of continuum mechanics, finite element modeling, and a programming language (preferably C++) is a plus.

https://doi.org/10.1007/978-3-319-50257-1_83-1The second volume of the Handbook of Materials Modeling is now online: We reviewed the development of new empirical molecular dynamics forcefields, novel methods of generating aerogels’ percolated backbones, and compelling algorithms for characterizing their structural, mechanical, and thermal

https://doi.org/10.1039/C8CP01191EWe investigate the effect of varying carbon nanotube (CNT) size on the desalination performance through slit confinements formed by horizontally aligned CNTs stacked on top of one another. By increasing the CNT size, the results obtained from this study indicate a corresponding increase in the water flow rate, accompanied by a slight reduction in salt rejection performance.

This position has been filled!

Utilizing van der Waals Slippery Interfaces to Enhance the Electrochemical Stability of Silicon Film Anodes in Lithium-Ion Batteries

ACS Applied Materials & Interfaces [PDF]

One or two fully funded PhD positisons (tuition plus reasearch or teaching assistantships) are immediately available in theComputational Dynamics and Materials Laboratoryat North Dakota State University (NDSU) during the academic year 2018~2019.

http://dx.doi.org/10.1039/C8TB00819A

Fresh in 2018 Journal of Materials Chemistry B HOT Papers! We present integrative experimental and computational understanding of the thermal response in adaptive hydrogels tailor-made from silk-elastin-like proteins that are tunable and responsive to multiple simultaneous external stimuli.

https://doi.org/10.1016/j.desal.2018.03.029In parallel with recent developments in carbon nanomaterials, there is growing interest in using these nanomaterials for desalination. To date, many studies have affirmed the potential of using such nanomaterials for constant pressure desalination operation. In this work, the performance of such membrane when subjected to oscillatory pressure at sub-nanosecond is investigated in detail.

Abstract

The Institute for General Material Properties of the Friedrich-Alexander Universität Erlangen-Nürnberg (FAU) is inviting applications for a group leader in the area of Computational Materials Science. The Materials Modeling Group conducts research into the elementary defects of the crystalline lattice and on how their organization and interaction influence the mechanical properties and failure of metallic materials.

https://doi.org/10.1016/j.eml.2018.01.009Scleroproteins are an important category of proteins within the human body that adopt filamentous, elongated conformations in contrast with typical globular proteins. These include keratin, collagen, and elastin, which often serve a common mechanical function in structural support of cells and tissues. Genetic mutations alter these proteins, disrupting their functions and causing diseases.

Homogeneous nucleation from aluminum (Al) melt was investigated by million-atom molecular dynamics (MD) simulations utilizing the second nearest neighbor modified embedded atom method (MEAM) potentials. The natural spontaneous homogenous nucleation from the Al melt was produced without any influence of pressure, free surface effects and impurities. Initially isothermal crystal nucleation from undercooled melt was studied at different constant temperatures, and later superheated Al melt was quenched with different cooling rates.

http://onlinelibrary.wiley.com/doi/10.1002/adfm.201704757/fullHydrogels are the focus of extensive research due to their potential use in fields including biomedical, pharmaceutical, biosensors, and cosmetics. However, the general weak mechanical properties of hydrogels limit their utility. Here, pristine silk fibroin (SF) hydrogels with excellent mechanical properties are generated via a binary-solvent-induced conformation transition (BSICT) strategy.

Two PhD positions are available in the Department of Mechanical Engineering and Engineering Science at the University of North Carolina at Charlotte.
The research project is in the multiscale modeling of the stress corrosion cracking. Candidates should have a strong background in continuum mechanics, finite elements modeling and/or molecular dynamics simulations. Programming experience in Fortran or C++ is a big plus. The starting date for this position is January 2018 or August 2018. Interested candidates please send a detailed CV along with the name and contact info of three references toatabarra@uncc.edu.

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 tos-keten@northwestern.edu. Evaluations will begin immediately, and the start date is flexible.

IJCMSE编委会成员,我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.

Abstract

Abstract

http://dx.doi.org/10.1039/C7NR04455K石墨烯具有良好的机械、热、避署ctrical 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.

Published inThe Journal of Physical Chemistry C:http://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.7b02123