Extreme strain rate and temperature dependence of the mechanical properties of nano silicon nitride thin layers in a basal plane under tension: a molecular dynamics study
Literature Information
Xuefeng Lu, Hongjie Wang, Yin Wei, Jiangbo Wen, Min Niu, Shuhai Jia
Molecular dynamics simulations are performed to clarify the extreme strain rate and temperature dependence of the mechanical behaviors of nano silicon nitride thin layers in a basal plane under tension. It is found that fracture stresses show almost no change with increasing strain rate. However, fracture strains decrease gradually due to the appearance of additional N2c–Si bond breaking defects in the deformation process. With increasing loading temperature, there is a noticeable drop in fracture stress and fracture strain. In the low temperature range, roughness phases can be observed owing to a combination of factors such as configuration evolution and energy change.
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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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