Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model

Nam Vu-Bac; X. Zhuang; T. Rabczuk

doi:10.3390/ma12213613

Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model

Nam Vu-Bac
, X. Zhuang
, T. Rabczuk^*

^*Corresponding author for this work

PhoenixD: Photonics, Optics, and Engineering – Innovation Across Disciplines (Cluster of Excellence 2122)

Ton Duc Thang University

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

Abstract

This study is to assess the effect of temperature and strain rate on the mechanical properties of amorphous polyethylene (PE) based on fully atomistic model. A stochastic constitutive model using data obtained from molecular dynamics (MD) simulations for the material is constructed. Subsequently, a global sensitivity analysis approach is then employed to predict the essential parameters of the mechanical model. The sensitivity indices show that the key parameter affecting Young's modulus and yield stress is the temperature followed by the strain rate.

Original language	English
Article number	3613
Journal	MATERIALS
Volume	12
Issue number	21
DOIs	https://doi.org/10.3390/ma12213613
Publication status	Published - 1 Nov 2019

Keywords

Bayesian updating
Fully atomistic model
Kriging
Mechanical properties
Uncertainty quantification

ASJC Scopus subject areas

General Materials Science

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10.3390/ma12213613Licence: CC BY 4.0

Cite this

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title = "Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model",

abstract = "This study is to assess the effect of temperature and strain rate on the mechanical properties of amorphous polyethylene (PE) based on fully atomistic model. A stochastic constitutive model using data obtained from molecular dynamics (MD) simulations for the material is constructed. Subsequently, a global sensitivity analysis approach is then employed to predict the essential parameters of the mechanical model. The sensitivity indices show that the key parameter affecting Young's modulus and yield stress is the temperature followed by the strain rate.",

keywords = "Bayesian updating, Fully atomistic model, Kriging, Mechanical properties, Uncertainty quantification",

author = "Nam Vu-Bac and X. Zhuang and T. Rabczuk",

note = "Funding information: This work was supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany{\textquoteright}s Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453).",

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AU - Vu-Bac, Nam

AU - Zhuang, X.

AU - Rabczuk, T.

N1 - Funding information: This work was supported by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany’s Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453).

PY - 2019/11/1

Y1 - 2019/11/1

N2 - This study is to assess the effect of temperature and strain rate on the mechanical properties of amorphous polyethylene (PE) based on fully atomistic model. A stochastic constitutive model using data obtained from molecular dynamics (MD) simulations for the material is constructed. Subsequently, a global sensitivity analysis approach is then employed to predict the essential parameters of the mechanical model. The sensitivity indices show that the key parameter affecting Young's modulus and yield stress is the temperature followed by the strain rate.

AB - This study is to assess the effect of temperature and strain rate on the mechanical properties of amorphous polyethylene (PE) based on fully atomistic model. A stochastic constitutive model using data obtained from molecular dynamics (MD) simulations for the material is constructed. Subsequently, a global sensitivity analysis approach is then employed to predict the essential parameters of the mechanical model. The sensitivity indices show that the key parameter affecting Young's modulus and yield stress is the temperature followed by the strain rate.

KW - Bayesian updating

KW - Fully atomistic model

KW - Kriging

KW - Mechanical properties

KW - Uncertainty quantification

UR - https://www.scopus.com/pages/publications/85074667736

U2 - 10.3390/ma12213613

DO - 10.3390/ma12213613

M3 - Article

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VL - 12

JO - MATERIALS

JF - MATERIALS

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M1 - 3613

ER -

Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

PhoenixD: Cluster of Excellence 2122/1: Photonics, Optics, and Engineering – Innovation Across Disciplines

Cite this

Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Projects

PhoenixD: Cluster of Excellence 2122/1: Photonics, Optics, and Engineering – Innovation Across Disciplines

Cite this