Atomistic/Continuum Transition – the Concept of Atomic Strain Tensor

Ryszard Pyrz

doi:10.4028/www.scientific.net/KEM.312.193

Paper Titles

Fracture Properties and Characteristics of Sisal Textile Reinforced Epoxy Composites
p.167

A Finite Element Analysis of a Crack Penetrating or Deflecting into an Interface in a Thin Laminate
p.173

Carbon Fibre-Organoclay Hybrid Epoxy Composites: Fracture Behaviours and Mechanical Properties
p.179

Fracture Characterization of High Density Polyethylene/Organoclay Nanocomposites Toughened with SEBS-g-MA
p.187

Atomistic/Continuum Transition – the Concept of Atomic Strain Tensor
p.193

The Effect of Interphase on the Elastic Modulus of Polymer Based Nanocomposites
p.199

Preparation, Physical and Mechanical Characterization of Montmorillonite/Polyethylene Nanocomposites
p.205

A Preliminary Study on Cryogenic Mechanical Properties of Epoxy Blend Matrices and SiO₂/Epoxy Nanocomposites
p.211

A Cross-Scale Characterization of Interface Properties between Carbon Nanotubes and Polymer Matrix
p.217

HomeKey Engineering MaterialsKey Engineering Materials Vol. 312Atomistic/Continuum Transition – the Concept of...

Atomistic/Continuum Transition – the Concept of Atomic Strain Tensor

Abstract:

A new atomic strain concept is formulated that allows calculation of continuum quantities directly within a discrete atomic (molecular) system. The concept is based on the Voronoi tessellation of the molecular system and calculation of atomic site strains, which connects continuum variables and atomic quantities when the later are averaged over a sufficiently large volume treated as a point of the continuum body. The atomic strain tensor is applied to investigate interfacial properties of polymer based nanocomposites.

You might also be interested in these eBooks

View Preview

Info:

Periodical:

Key Engineering Materials (Volume 312)

Pages:

193-198

DOI:

https://doi.org/10.4028/www.scientific.net/KEM.312.193

Citation:

Cite this paper

Online since:

June 2006

Authors:

Ryszard Pyrz

Keywords:

Atomic Strain, Atomic Stress, Interfacial Property, MolecularSimulation, Nanocomposite

Export:

RIS, BibTeX

Price:

Permissions CCC:

Request Permissions

Permissions PLS:

Request Permissions

Сopyright:

Citation:

References

[1] M. Zhou: Proc R. Soc. Lond. A Vol. 459 (2003), p.2347.

Google Scholar

[2] J.A. Zimmerman, E.B. Webb III, J.J. Hoyt, R.E. Jones, P.A. Klein and D.J. Bammann: Modelling Simul. Mater. Sci. Eng. Vol. 12 (2004). P. S319.

DOI: 10.1088/0965-0393/12/4/s03

Google Scholar

[3] T.J. Delph: Modelling Simul. Mater. Sci. Eng. Vol 13 (2005), p.585.

Google Scholar

[4] Z.H. Stachurski and W. Brostow: Polymery Vol. 46 (2001), p.302.

Google Scholar

[5] B. Bochenek and R. Pyrz: Comput. Mat. Sci. Vol. 31 (2004), p.93.

Google Scholar

[6] R. Pyrz and B. Bochenek: Int. J. Solids Structures Vol. 35 (1998), p.2413.

Google Scholar

[7] R. Pyrz: Proc. IUTAM Symposium on Multiscale Modelling of Damage and Fracture Process in Composite Materials, T. Sadowski (ed. ), Kluwer, Dordrecht 2005 (in press).

Google Scholar

[8] J. Gou, B. Minaie, B. Wang, Z. Liang and Ch. Zhang: Comp. Mat. Sci. Vol. 31 (2004), p.225.

Google Scholar