Numerical study of atomic scale deformation mechanisms of Ti grains with different crystallographic orientation subjected to scratch testing

Andrey I. Dmitriev, Anton Yu Nikonov, Artur R. Shugurov, Alexey V. Panin

Research output: Contribution to journalArticle

9 Citations (Scopus)

Abstract

Atomic scale deformation mechanisms of Ti single- and bicrystals subjected to scratch testing were studied experimentally and using molecular dynamics simulation. The numerical model explicitly considers the crystallographic orientation of Ti crystallites experimentally determined from EBSD analysis. The stage character of the evolution of dislocation structure in the Ti crystallites under loading was revealed that resulted from fragmentation of the material in the scratch groove. When the direction of easy dislocation glide is close to the scratching direction, the stages of generation and movement of dislocations alternate with the stages of dislocation pinning. It was found experimentally that the initially softer grain was characterized by a shallower residual scratch depth than the originally harder one. MD simulation revealed that the fragmentation is an origin of the observed disagreement between the residual scratch depth and the initial hardness of Ti grains with different crystallographic orientations. Grain boundaries were shown not only to be barriers for dislocation glide but also to favor the development of rotational deformation and further fragmentation of the material in the scratch groove.

Original languageEnglish
Pages (from-to)318-327
Number of pages10
JournalApplied Surface Science
Volume471
DOIs
Publication statusPublished - 31 Mar 2019

Fingerprint

Crystallites
Crystal orientation
Bicrystals
Testing
Dislocations (crystals)
Molecular dynamics
Numerical models
Grain boundaries
Hardness
Computer simulation
Direction compound

Keywords

  • Dislocations
  • Molecular dynamics
  • Nanofragmentation
  • Scratch testing
  • Titanium

ASJC Scopus subject areas

  • Surfaces, Coatings and Films

Cite this

Numerical study of atomic scale deformation mechanisms of Ti grains with different crystallographic orientation subjected to scratch testing. / Dmitriev, Andrey I.; Nikonov, Anton Yu; Shugurov, Artur R.; Panin, Alexey V.

In: Applied Surface Science, Vol. 471, 31.03.2019, p. 318-327.

Research output: Contribution to journalArticle

@article{e4f8985eca6441f19d1bb4c243d6bded,
title = "Numerical study of atomic scale deformation mechanisms of Ti grains with different crystallographic orientation subjected to scratch testing",
abstract = "Atomic scale deformation mechanisms of Ti single- and bicrystals subjected to scratch testing were studied experimentally and using molecular dynamics simulation. The numerical model explicitly considers the crystallographic orientation of Ti crystallites experimentally determined from EBSD analysis. The stage character of the evolution of dislocation structure in the Ti crystallites under loading was revealed that resulted from fragmentation of the material in the scratch groove. When the direction of easy dislocation glide is close to the scratching direction, the stages of generation and movement of dislocations alternate with the stages of dislocation pinning. It was found experimentally that the initially softer grain was characterized by a shallower residual scratch depth than the originally harder one. MD simulation revealed that the fragmentation is an origin of the observed disagreement between the residual scratch depth and the initial hardness of Ti grains with different crystallographic orientations. Grain boundaries were shown not only to be barriers for dislocation glide but also to favor the development of rotational deformation and further fragmentation of the material in the scratch groove.",
keywords = "Dislocations, Molecular dynamics, Nanofragmentation, Scratch testing, Titanium",
author = "Dmitriev, {Andrey I.} and Nikonov, {Anton Yu} and Shugurov, {Artur R.} and Panin, {Alexey V.}",
year = "2019",
month = "3",
day = "31",
doi = "10.1016/j.apsusc.2018.12.021",
language = "English",
volume = "471",
pages = "318--327",
journal = "Applied Surface Science",
issn = "0169-4332",
publisher = "Elsevier",

}

TY - JOUR

T1 - Numerical study of atomic scale deformation mechanisms of Ti grains with different crystallographic orientation subjected to scratch testing

AU - Dmitriev, Andrey I.

AU - Nikonov, Anton Yu

AU - Shugurov, Artur R.

AU - Panin, Alexey V.

PY - 2019/3/31

Y1 - 2019/3/31

N2 - Atomic scale deformation mechanisms of Ti single- and bicrystals subjected to scratch testing were studied experimentally and using molecular dynamics simulation. The numerical model explicitly considers the crystallographic orientation of Ti crystallites experimentally determined from EBSD analysis. The stage character of the evolution of dislocation structure in the Ti crystallites under loading was revealed that resulted from fragmentation of the material in the scratch groove. When the direction of easy dislocation glide is close to the scratching direction, the stages of generation and movement of dislocations alternate with the stages of dislocation pinning. It was found experimentally that the initially softer grain was characterized by a shallower residual scratch depth than the originally harder one. MD simulation revealed that the fragmentation is an origin of the observed disagreement between the residual scratch depth and the initial hardness of Ti grains with different crystallographic orientations. Grain boundaries were shown not only to be barriers for dislocation glide but also to favor the development of rotational deformation and further fragmentation of the material in the scratch groove.

AB - Atomic scale deformation mechanisms of Ti single- and bicrystals subjected to scratch testing were studied experimentally and using molecular dynamics simulation. The numerical model explicitly considers the crystallographic orientation of Ti crystallites experimentally determined from EBSD analysis. The stage character of the evolution of dislocation structure in the Ti crystallites under loading was revealed that resulted from fragmentation of the material in the scratch groove. When the direction of easy dislocation glide is close to the scratching direction, the stages of generation and movement of dislocations alternate with the stages of dislocation pinning. It was found experimentally that the initially softer grain was characterized by a shallower residual scratch depth than the originally harder one. MD simulation revealed that the fragmentation is an origin of the observed disagreement between the residual scratch depth and the initial hardness of Ti grains with different crystallographic orientations. Grain boundaries were shown not only to be barriers for dislocation glide but also to favor the development of rotational deformation and further fragmentation of the material in the scratch groove.

KW - Dislocations

KW - Molecular dynamics

KW - Nanofragmentation

KW - Scratch testing

KW - Titanium

UR - http://www.scopus.com/inward/record.url?scp=85058009854&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85058009854&partnerID=8YFLogxK

U2 - 10.1016/j.apsusc.2018.12.021

DO - 10.1016/j.apsusc.2018.12.021

M3 - Article

AN - SCOPUS:85058009854

VL - 471

SP - 318

EP - 327

JO - Applied Surface Science

JF - Applied Surface Science

SN - 0169-4332

ER -