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Effect of Temperature on Deformation and Fracture Behaviour of Nanostructured Polycrystalline Ni Under Tensile Hydrostatic Stress by Molecular Dynamics Simulation

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Real materials have structural defects that are normally brought in during the processes of manufacturing and storage and often have a structure with abundant grains, as well as being subjected to multi-directional force conditions. The study of temperature’s effect on plastic deformation mechanisms in polycrystalline materials bathed by a multi-axial force is still very rare and not clear. Therefore, we conducted very large-scale molecular dynamics simulations to study the deformation and fracture behaviour of nanostructured polycrystalline Ni under a pre-existing external tensile hydrostatic stress with various temperatures. By characterizing the deformation and fracture mechanisms at an atomic scale, our results elucidate the effect of temperature on brittle versus ductile fracture behaviour by analysing the local stresses for void nucleation and crack propagation and the associated interplays of grain boundary, dislocation/twin and void/crack activities. The lower temperature results in a more brittle fracture manner. This is because the decreasing temperatures contribute to more sources of local stress concentrators for void/crack nucleation and propagation, and suppress the plastic deformation achieved by the activities of grain boundary, twin and dislocation. Our findings shed a light on a fundamental understanding of polycrystalline Ni metals subjected to complex working environments.

Keywords: Dislocation; Fracture; Grain Boundary; Molecular Dynamics Simulation; Tensile Hydrostatic Stress

Document Type: Research Article

Affiliations: 1: School of Mechanical, Materials, Mechatronic and Biomedical Engineering, University of Wollongong, Wollongong, NSW 2522, Australia 2: State Key Laboratory of Mechanical Transmissions, Chongqing University, Chongqing 400044, China 3: State Key Laboratory of High Performance Complex Manufacturing, Central South University, Changsha 410083, China

Publication date: May 1, 2019

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  • Journal for Nanoscience and Nanotechnology (JNN) is an international and multidisciplinary peer-reviewed journal with a wide-ranging coverage, consolidating research activities in all areas of nanoscience and nanotechnology into a single and unique reference source. JNN is the first cross-disciplinary journal to publish original full research articles, rapid communications of important new scientific and technological findings, timely state-of-the-art reviews with author's photo and short biography, and current research news encompassing the fundamental and applied research in all disciplines of science, engineering and medicine.
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