TY - JOUR
T1 - Tuning star architecture to control mechanical properties and impact resistance of polymer thin films
AU - Giuntoli, Andrea
AU - Keten, Sinan
N1 - Funding Information:
The authors acknowledge funding from the US Army Research Office (award no. W911NF1710430 ). This research was supported in part through the computational resources and staff contributions provided for the Quest high performance computing facility at Northwestern University, which is jointly supported by the Office of the Provost, the Office for Research, and Northwestern University Information Technology . We also acknowledge support from the Department of Defense High Performance Computing (DoD HPC) Modernization Program .
Publisher Copyright:
© 2021 The Author(s)
PY - 2021/10/20
Y1 - 2021/10/20
N2 - Developing materials resistant to high-rate impacts requires an understanding of the molecular mechanism at play during the spatiotemporal scales of these events. Controlling the response of thin films under impact by manipulating their molecular structure is a key challenge for materials science applications and fundamental understanding of the material behavior under high-rate deformations. Using coarse-grained molecular dynamics, we tune the mobility and mechanical properties of star polymer films by varying the number of arms of the star (2≤f≤16) and their length (10≤M≤50). We subject the films to nanoballistic impacts and identify two components of the penetration energy Ep,1∗ and Ep,2∗, corresponding to the early-stage compression and late-stage deformation of the film. Ep,1∗ correlates with Young's modulus and the Debye-Waller factor of the films, and Ep,2∗ correlates with the toughness of the films. These correlations between dynamics, mechanical properties, and ballistic resistance provide important guidelines to develop new polymer-based, impact-resistant nanomaterials.
AB - Developing materials resistant to high-rate impacts requires an understanding of the molecular mechanism at play during the spatiotemporal scales of these events. Controlling the response of thin films under impact by manipulating their molecular structure is a key challenge for materials science applications and fundamental understanding of the material behavior under high-rate deformations. Using coarse-grained molecular dynamics, we tune the mobility and mechanical properties of star polymer films by varying the number of arms of the star (2≤f≤16) and their length (10≤M≤50). We subject the films to nanoballistic impacts and identify two components of the penetration energy Ep,1∗ and Ep,2∗, corresponding to the early-stage compression and late-stage deformation of the film. Ep,1∗ correlates with Young's modulus and the Debye-Waller factor of the films, and Ep,2∗ correlates with the toughness of the films. These correlations between dynamics, mechanical properties, and ballistic resistance provide important guidelines to develop new polymer-based, impact-resistant nanomaterials.
KW - cage dynamics
KW - impact resistance
KW - mechanical properties
KW - star polymers
KW - thin films
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U2 - 10.1016/j.xcrp.2021.100596
DO - 10.1016/j.xcrp.2021.100596
M3 - Article
AN - SCOPUS:85120347709
VL - 2
JO - Cell Reports Physical Science
JF - Cell Reports Physical Science
SN - 2666-3864
IS - 10
M1 - 100596
ER -