Details
| Original language | English |
|---|---|
| Article number | 3613 |
| Journal | MATERIALS |
| Volume | 12 |
| Issue number | 21 |
| Publication status | Published - 1 Nov 2019 |
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
ASJC Scopus subject areas
- Materials Science(all)
- General Materials Science
Cite this
- Standard
- Harvard
- Apa
- Vancouver
- BibTeX
- RIS
In: MATERIALS, Vol. 12, No. 21, 3613, 01.11.2019.
Research output: Contribution to journal › Article › Research › peer review
}
TY - JOUR
T1 - Uncertainty Quantification for Mechanical Properties of Polyethylene Based on Fully Atomistic Model
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 - http://www.scopus.com/inward/record.url?scp=85074667736&partnerID=8YFLogxK
U2 - 10.3390/ma12213613
DO - 10.3390/ma12213613
M3 - Article
C2 - 31689882
AN - SCOPUS:85074667736
VL - 12
JO - MATERIALS
JF - MATERIALS
SN - 1996-1944
IS - 21
M1 - 3613
ER -