Tuning star architecture to control mechanical properties and impact resistance of polymer thin films

Andrea Giuntoli; Sinan Keten

doi:10.1016/j.xcrp.2021.100596

Tuning star architecture to control mechanical properties and impact resistance of polymer thin films

Andrea Giuntoli^*, Sinan Keten^*

^*Corresponding author for this work

Mechanical Engineering

Research output: Contribution to journal › Article › peer-review

14 Scopus citations

Abstract

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 E_p,1^∗ and E_p,2^∗, corresponding to the early-stage compression and late-stage deformation of the film. E_p,1^∗ correlates with Young's modulus and the Debye-Waller factor of the films, and E_p,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.

Original language	English (US)
Article number	100596
Journal	Cell Reports Physical Science
Volume	2
Issue number	10
DOIs	https://doi.org/10.1016/j.xcrp.2021.100596
State	Published - Oct 20 2021

Funding

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 .

Keywords

cage dynamics
impact resistance
mechanical properties
star polymers
thin films

ASJC Scopus subject areas

General Chemistry
General Materials Science
General Engineering
General Energy
General Physics and Astronomy

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10.1016/j.xcrp.2021.100596

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title = "Tuning star architecture to control mechanical properties and impact resistance of polymer thin films",

abstract = "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.",

keywords = "cage dynamics, impact resistance, mechanical properties, star polymers, thin films",

author = "Andrea Giuntoli and Sinan Keten",

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AU - Giuntoli, Andrea

AU - Keten, Sinan

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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

UR - https://www.scopus.com/pages/publications/85120347709

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U2 - 10.1016/j.xcrp.2021.100596

DO - 10.1016/j.xcrp.2021.100596

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ER -

Tuning star architecture to control mechanical properties and impact resistance of polymer thin films

Abstract

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Keywords

ASJC Scopus subject areas

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