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Intergranular fracture in polycrystals is often simulated by finite elements coupled to a cohesive-zone model for the interfaces, requiring cohesive laws for grain boundaries as a function of their geometry. We discuss three challenges in…

We present an experimental system suitable for producing spherical crystals and for observing the distribution of lattice defects (disclinations and dislocations) on a significant fraction (50%) of the sphere. The introduction of…

Soft Condensed Matter · Physics 2007-05-23 Thomas Einert , Peter Lipowsky , Jorg Schilling , Mark J. Bowick , Andreas Bausch

As a central part of microstructure evolution, grain boundary (GB) migration is believed to be both monolithic and unidirectional. But here, we introduce the concept of GB decomposition: one GB separates into two new GBs by exerting…

Materials Science · Physics 2025-09-11 Wei Wan , Junwen Deng , Changxin Tang

Grain boundary roughness can affect electronic and mechanical properties of two-dimensional materials. This roughness depends crucially on the growth process by which the two-dimensional material is formed. To investigate the key mechanisms…

Materials Science · Physics 2022-04-06 Fabio D. A. Aarão Reis , Bastien Marguet , Olivier Pierre-Louis

We experimentally investigated the properties of graphite layers produced by an easy and non-conventional method of repeatedly rubbing conventional random stacked graphite bulk against insulating and semiconductor substrates. The patterned…

Materials Science · Physics 2014-02-18 A. R. Mailian , G. Sh. Shmavonyan , M. R. Mailian

Grain boundaries (GBs) and interfaces in polycrystalline materials are significant research subjects in the field of materials science. Despite a more than 50-year history of their study, there are still many open questions. The main…

Materials Science · Physics 2021-06-28 Arslan B. Mazitov , Artem R. Oganov

A numerical investigation of grain-boundary grooving by means of a Level Set method is carried out. An idealized polygranular interconnect which consists of grains separated by parallel grain boundaries aligned normal to the average…

Materials Science · Physics 2009-10-31 M. Khenner , A. Averbuch , M. Israeli , M. Nathan

Using molecular dynamics simulations and first principles calculations, we have studied the structure and mechanical strength of tilt grain boundaries in graphene sheets that arise during CVD growth of graphene on metal substrates.…

Materials Science · Physics 2015-05-19 Rassin Grantab , Vivek B. Shenoy , Rodney S. Ruoff

This study proposes a new analytical model for grain boundary pinning by second phase particles in two-dimensional polycrystals. This approach not only considers how particles impede grain growth, but also elucidates their role in…

Materials Science · Physics 2024-04-23 Madeleine Bignon , Marc Bernacki

Tailoring the nanoscale distribution of chemical species at grain boundaries is a powerful method to dramatically influence the properties of polycrystalline materials. However, classical approaches to the problem have tacitly assumed that…

Materials Science · Physics 2024-11-11 Malik Wagih , Yannick Naunheim , Tianjiao Lei , Christopher A. Schuh

Graphene has recently attracted a great deal of interest in both academia and industry because of its unique electronic and optical properties [1,2], as well as its chemical, thermal, and mechanical properties. The superb characteristics of…

Materials Science · Physics 2010-06-29 Mingsheng Xu , Daisuke Fujita , Keisuke Sagisaka , Eiichiro Watanabe , Nobutaka Hanagata

We develop a continuum model for the dynamics of grain boundaries in three dimensions that incorporates the motion and reaction of the constituent dislocations. The continuum model is based on a simple representation of densities of curved…

Materials Science · Physics 2021-11-08 Xiaoxue Qin , Luchan Zhang , Yang Xiang

Graphene, one of the strongest materials ever discovered, triggered the exploration of many 2D materials in the last decade. However, the successful synthesis of a stable nanomaterial requires a rudimentary understanding of the relationship…

Materials Science · Physics 2017-04-05 Obaidur Rahaman , Bohayra Mortazavi , Arezoo Dianat , Gianaurelio Cuniberti , Timon Rabczuk

It is significant to prepare large area of high quality graphene for the study of the characteristics of graphene and the research of the nano-devices based on graphene. This paper summarizes the experiment progresses and mechanism of…

Mesoscale and Nanoscale Physics · Physics 2012-03-01 Tian Yuan , Zhao Qian-Ying , Hu Jing , Zhou Chen , Miao Ling , Jiang Jian-Jun

Grain boundaries (GBs) often control the processing and properties of polycrystalline materials. Here, a potentially transformative research is represented by constructing GB property diagrams as functions of temperature and bulk…

Materials Science · Physics 2020-02-26 Chongze Hu , Yunxing Zuo , Chi Chen , Shyue Ping Ong , Jian Luo

Deformation microstructure heterogeneities play a pivotal role during dislocation patterning and interface network restructuring. Thus, they affect indirectly how an alloy recrystallizes if at all. Given this relevance, it has become common…

Computational Engineering, Finance, and Science · Computer Science 2020-06-24 Markus Kühbach , Franz Roters

We report on scanning tunneling microscopy and spectroscopy of grain boundaries in highly oriented pyrolytic graphite. Grain boundaries showed a periodic structure and an enhanced charge density compared to the bare graphite surface. Two…

Materials Science · Physics 2013-05-29 J. Cervenka , C. F. J. Flipse

The dynamical mechanisms underlying the grain evolution and growth are of fundamental importance in controlling the structural properties of large-scale polycrystalline materials, but the effects of lattice ordering and distinct atomic…

Materials Science · Physics 2022-01-03 Brendon Waters , Zhi-Feng Huang

Graphene is the two-dimensional (2d) building block for carbon allotropes of every other dimensionality. It can be stacked into 3d graphite, rolled into 1d nanotubes, or wrapped into 0d fullerenes. Its recent discovery in free state has…

Grain boundaries with dangling bonds (DBGB) in graphene are studied by atomistic Monte Carlo and molecular dynamics simulations in combination with density functional (SIESTA) calculations. The most stable configurations are selected and…

Mesoscale and Nanoscale Physics · Physics 2012-03-08 M. A. Akhukov , A. Fasolino , Y. N. Gornostyrev , M. I. Katsnelson