Abstract
We apply a persistent homology analysis to investigate the behavior of nanovoids during the crazing process of glassy polymers. We carry out a coarse-grained molecular dynamics simulation of the uniaxial deformation of an amorphous polymer and analyze the results with persistent homology. Persistent homology reveals the void coalescence during craze formation, and the results suggest that the yielding process is regarded as the percolation of nanovoids created by deformation.
Highlights
Understanding the microscopic process of yielding is a fundamental problem in material science
Crazing is a unique phenomenon observed in glassy polymers, and the process of craze formation has been intensively investigated by electron microscopy [2], optical microscopy [3], atomic force microscopy [4], and many other methods
CG-molecular dynamics (MD) simulations enable the investigation of the atomic-scale dynamics of craze formation, which is difficult to detect by experiments
Summary
Understanding the microscopic process of yielding is a fundamental problem in material science. The yielding of a glassy polymer occurs either through shear deformation or through crazing [1]. Crazing is a unique phenomenon observed in glassy polymers, and the process of craze formation has been intensively investigated by electron microscopy [2], optical microscopy [3], atomic force microscopy [4], and many other methods. On the basis of these observations, several kinetic models of craze formation have been proposed [5,6,7]. Recent advances in molecular dynamics (MD) simulations have provided new methods for studying the atomic-scale process of craze formation. CG-MD simulations enable the investigation of the atomic-scale dynamics of craze formation, which is difficult to detect by experiments
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