Stochastic predictions of interfacial characteristic of polymeric nanocomposites (PNCs)

N. Vu-Bac, T. Lahmer, Y. Zhang, X. Zhuang, Timon Rabczuk

Research output: Contribution to journalArticle

84 Citations (Scopus)

Abstract

The effect of the single-walled carbon nanotube (SWCNT) radius, the temperature and the pulling velocity on interfacial shear stress (ISS) is studied by using the molecular dynamics (MD) simulations. Based on our MD results, the mechanical output (ISS) is best characterized by the statistical Weibull distribution. Further, we also quantify the influence of the uncertain input parameters on the predicted ISS via sensitivity analysis (SA). First, partial derivatives in the context of averaged local SA are computed. For computational efficiency, the SA is based on surrogate models (polynomial regression, moving least squares (MLS) and hybrid of quadratic polynomial and MLS regressions). Next, the elementary effects are determined on the mechanical model to identify the important parameters in the context of averaged local SA. Finally, the approaches for ranking of variables (SA based on coefficients of determination) and variance-based methods are carried out based on the surrogate model in order to quantify the global SA. All stochastic methods predict that the key parameters influencing the ISS is the SWCNT radius followed by the temperature and pulling velocity, respectively.

Original languageEnglish
Pages (from-to)80-95
Number of pages16
JournalComposites Part B: Engineering
Volume59
DOIs
Publication statusPublished - 2014 Mar 1

Fingerprint

Sensitivity analysis
Nanocomposites
Shear stress
Single-walled carbon nanotubes (SWCN)
Molecular dynamics
Weibull distribution
Computational efficiency
Polynomials
Derivatives
Temperature
Computer simulation

Keywords

  • A. Nano-structures
  • A. Polymer-matrix composites (PMCs)
  • B. Interface/interphase
  • C. Computational modeling
  • Stochastic prediction

ASJC Scopus subject areas

  • Ceramics and Composites
  • Mechanics of Materials
  • Industrial and Manufacturing Engineering
  • Mechanical Engineering

Cite this

Stochastic predictions of interfacial characteristic of polymeric nanocomposites (PNCs). / Vu-Bac, N.; Lahmer, T.; Zhang, Y.; Zhuang, X.; Rabczuk, Timon.

In: Composites Part B: Engineering, Vol. 59, 01.03.2014, p. 80-95.

Research output: Contribution to journalArticle

Vu-Bac, N. ; Lahmer, T. ; Zhang, Y. ; Zhuang, X. ; Rabczuk, Timon. / Stochastic predictions of interfacial characteristic of polymeric nanocomposites (PNCs). In: Composites Part B: Engineering. 2014 ; Vol. 59. pp. 80-95.
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