Non-equilibrium grain boundaries in titanium nanostructured by severe plastic deformation: Computational study of sources of material strengthening

Hongsheng Liu; Leon Mishnaevsky; Wolfgang Pantleon

doi:10.1016/j.commatsci.2013.11.009

Non-equilibrium grain boundaries in titanium nanostructured by severe plastic deformation: Computational study of sources of material strengthening

Hongsheng Liu, Leon Mishnaevsky, Wolfgang Pantleon

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

A computational model of ultrafine grained (UFG) or nanostructured titanium (Ti), based on a finite element (FE) unit cell model of the material and a dislocation density based model of plastic deformation has been developed. FE simulations of tensile deformation of UFG Ti with different fractions and properties of the grain boundary (GB) phase have been carried out. The effect of different degrees of deviation from the equilibrium state of the grain boundaries (GBs) on the mechanical behaviour of nanostructured Ti have been investigated using the combined composite/dislocation dynamics based model. In particular, the effects of different diffusion coefficients in the GB phase, of a high initial dislocation density in the grain boundaries, as well as of atomic scale precipitates are investigated for affecting the deformation behaviour of UFG or nanostructured Ti. © 2013 Elsevier B.V. All rights reserved.

Original language	English
Journal	Computational Materials Science
Volume	83
Pages (from-to)	318-330
ISSN	0927-0256
DOIs	https://doi.org/10.1016/j.commatsci.2013.11.009
Publication status	Published - 2014

Keywords

Diffusion
Finite element method
Plastic deformation
Titanium
Grain boundaries

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title = "Non-equilibrium grain boundaries in titanium nanostructured by severe plastic deformation: Computational study of sources of material strengthening",

abstract = "A computational model of ultrafine grained (UFG) or nanostructured titanium (Ti), based on a finite element (FE) unit cell model of the material and a dislocation density based model of plastic deformation has been developed. FE simulations of tensile deformation of UFG Ti with different fractions and properties of the grain boundary (GB) phase have been carried out. The effect of different degrees of deviation from the equilibrium state of the grain boundaries (GBs) on the mechanical behaviour of nanostructured Ti have been investigated using the combined composite/dislocation dynamics based model. In particular, the effects of different diffusion coefficients in the GB phase, of a high initial dislocation density in the grain boundaries, as well as of atomic scale precipitates are investigated for affecting the deformation behaviour of UFG or nanostructured Ti. {\textcopyright} 2013 Elsevier B.V. All rights reserved.",

keywords = "Diffusion, Finite element method, Plastic deformation, Titanium, Grain boundaries",

author = "Hongsheng Liu and Leon Mishnaevsky and Wolfgang Pantleon",

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doi = "10.1016/j.commatsci.2013.11.009",

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T1 - Non-equilibrium grain boundaries in titanium nanostructured by severe plastic deformation: Computational study of sources of material strengthening

AU - Liu, Hongsheng

AU - Mishnaevsky, Leon

AU - Pantleon, Wolfgang

PY - 2014

Y1 - 2014

N2 - A computational model of ultrafine grained (UFG) or nanostructured titanium (Ti), based on a finite element (FE) unit cell model of the material and a dislocation density based model of plastic deformation has been developed. FE simulations of tensile deformation of UFG Ti with different fractions and properties of the grain boundary (GB) phase have been carried out. The effect of different degrees of deviation from the equilibrium state of the grain boundaries (GBs) on the mechanical behaviour of nanostructured Ti have been investigated using the combined composite/dislocation dynamics based model. In particular, the effects of different diffusion coefficients in the GB phase, of a high initial dislocation density in the grain boundaries, as well as of atomic scale precipitates are investigated for affecting the deformation behaviour of UFG or nanostructured Ti. © 2013 Elsevier B.V. All rights reserved.

AB - A computational model of ultrafine grained (UFG) or nanostructured titanium (Ti), based on a finite element (FE) unit cell model of the material and a dislocation density based model of plastic deformation has been developed. FE simulations of tensile deformation of UFG Ti with different fractions and properties of the grain boundary (GB) phase have been carried out. The effect of different degrees of deviation from the equilibrium state of the grain boundaries (GBs) on the mechanical behaviour of nanostructured Ti have been investigated using the combined composite/dislocation dynamics based model. In particular, the effects of different diffusion coefficients in the GB phase, of a high initial dislocation density in the grain boundaries, as well as of atomic scale precipitates are investigated for affecting the deformation behaviour of UFG or nanostructured Ti. © 2013 Elsevier B.V. All rights reserved.

KW - Diffusion

KW - Finite element method

KW - Plastic deformation

KW - Titanium

KW - Grain boundaries

U2 - 10.1016/j.commatsci.2013.11.009

DO - 10.1016/j.commatsci.2013.11.009

M3 - Journal article

SN - 0927-0256

VL - 83

SP - 318

EP - 330

JO - Computational Materials Science

JF - Computational Materials Science

ER -

Non-equilibrium grain boundaries in titanium nanostructured by severe plastic deformation: Computational study of sources of material strengthening

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