Investigation of the nanomechanical properties of β-Si3N4nanowires under three-point bending via molecular dynamics simulation

Literature Information

Publication Date 2013-02-27
DOI 10.1039/C3CP50372K
Impact Factor 3.676
Authors

Xuefeng Lu, Hongjie Wang, Meng Chen, Lei Fan, Chao Wang, Shuhai Jia


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Abstract

The nanowire with an aspect ratio of 3 : 1 possesses a higher bending stress of 15.85 GPa. It can be observed that the initial Si–Si bond and N atom defects with a coordination number of 2, subsequently evolving to 0 and 1, with Si evolving from 5 to 6 and 7, are mainly responsible for the final fracture.

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Source Journal

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
Self-citation Rate: 10.3%
Articles per Year: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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