Crack propagation in graphene monolayer under tear loading
Literature Information
Yang Cai, Xiaoyi Liu, Xiaohu Yao
Crack propagation in graphene monolayer under tear loading is investigated via an energy-based analytical model and molecular dynamics (MD) simulations. The classical mechanics-based model describes steady-state crack propagation velocity as a function of applied stress, lateral dimension and loading geometry, as well as the critical stress and critical size for initiating steady crack propagation. MD simulations reveal that cracks propagate along the zigzag direction but yield different “fracture surface” roughnesses for different loading geometries. MD simulations and the predictions of the analytical model are in excellent agreement. Our findings lead to an improved fundamental understanding of the mode-III crack of monolayer graphene necessary for the design and fabrication of graphene-based devices.
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Physical Chemistry Chemical Physics

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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