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Journal Club Theme of May 2014: in situ Nanomechanics

The in situ nanomechanics is an emerging field that investigates the mechanical properties and deformation mechanisms of nanoscale and nanostructured materials, by integrating the real-time mechanical testing inside electron microscope and the mechanics modeling with atomic resolution. It provides a powerful approach to "visualize" the intrinsic nanomechanical behavior of materials - seeing is believing.

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Unexpected two-phase lithiation of amorphous Si

Two-phase electrochemical lithiation in amorphous silicon
Jiangwei Wang, Yu He, Feifei Fan, Xiao-Hua Liu, Shuman Xia, Yang Liu, Thomas Harris, Hong Li, Jian Yu Huang, Scott X. Mao, and Ting Zhu
Nano Letters, Publication Date (Web): January 16, 2013

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Surface dislocation nucleation


  Surface dislocation nucleation

Ting Zhu, Ju Li, Amit Samanta, Austin Leach and Ken Gall, “Temperature and strain-rate dependence of surface dislocation nucleation”, Physical Review Letters, 100, 025502 (2008).

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Handbook of Materials Modeling

by S. Yip (Editor), 2005

Book Review
"A new guide to materials modeling largely succeeds in its aim to be the defining reference for the field of computational materials science and represents a huge undertaking..." -- by James Elliott | University of Cambridge, Materials Today, Volume 9, Issues 7-8, July-Aug 2006, Pages 51-52.

Book Description
The first reference of its kind in the rapidly emerging field of computational approachs to materials research, this is a compendium of perspective-providing and topical articles written to inform students and non-specialists of the current status and capabilities of modelling and simulation. From the standpoint of methodology, the development follows a multiscale approach with emphasis on electronic-structure, atomistic, and mesoscale methods, as well as mathematical analysis and rate processes. Basic models are treated across traditional disciplines, not only in the discussion of methods but also in chapters on crystal defects, microstructure, fluids, polymers and soft matter. Written by authors who are actively participating in the current development, this collection of 150 articles has the breadth and depth to be a major contributor toward defining the field of computational materials. In addition, there are 40 commentaries by highly respected researchers, presenting various views that should interest the future generations of the community. Subject Editors: Martin Bazant, MIT; Bruce Boghosian, Tufts University; Richard Catlow, Royal Institution; Long-Qing Chen, Pennsylvania State University; William Curtin, Brown University; Tomas Diaz de la Rubia, Lawrence Livermore National Laboratory; Nicolas Hadjiconstantinou, MIT; Mark F. Horstemeyer, Mississippi State University; Efthimios Kaxiras, Harvard University; L. Mahadevan, Harvard University; Dimitrios Maroudas, University of Massachusetts; Nicola Marzari, MIT; Horia Metiu, University of California Santa Barbara; Gregory C. Rutledge, MIT; David J. Srolovitz, Princeton University; Bernhardt L. Trout, MIT; Dieter Wolf, Argonne National Laboratory.

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Linking Interfacial Plasticity to Ductility: A Modeling Framework for Nanostructured Metals

Ting Zhu, Ju Li, Amit Samanta, Hyoung Gyu Kim and Subra Suresh

Nano-twinned copper exhibits an unusual combination of ultrahigh strength and high ductility, along with increased strain-rate sensitivity. We develop a mechanistic framework for predicting the rate sensitivity and elucidating the origin of ductility in terms of the interactions of dislocations with interfaces. Using atomistic reaction pathway calculations, we show that twin boundary (TB) mediated slip transfer reactions are the rate-controlling mechanisms of plastic flow. We attribute the relatively high ductility of nano-twinned copper to the hardenability of TBs as they gradually lose coherency during deformation. These results offer new avenues for tailoring material interfaces for optimized properties.

see the attached pdf file

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