Investigation of defect nucleation in titanium under mechanical loading

Abstract

The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.

Original language	English
Title of host publication	AIP Conference Proceedings
Publisher	American Institute of Physics Inc.
Pages	675-678
Number of pages	4
Volume	1623
ISBN (Print)	9780735412606
DOIs	https://doi.org/10.1063/1.4899035
Publication status	Published - 2014
Event	International Conference on Physical Mesomechanics of Multilevel Systems 2014 - Tomsk, Russian Federation Duration: 3 Sep 2014 → 5 Sep 2014

Other

Other	International Conference on Physical Mesomechanics of Multilevel Systems 2014
Country	Russian Federation
City	Tomsk
Period	3.9.14 → 5.9.14

Keywords

Molecular dynamics
Nanoindentation
Structural defects

ASJC Scopus subject areas

Physics and Astronomy(all)

Access to Document

10.1063/1.4899035

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Zolnikov, KP, Korchuganov, AV, Kryzhevich, DS & Psakhie, SG 2014, Investigation of defect nucleation in titanium under mechanical loading. in AIP Conference Proceedings. vol. 1623, American Institute of Physics Inc., pp. 675-678, International Conference on Physical Mesomechanics of Multilevel Systems 2014, Tomsk, Russian Federation, 3.9.14. https://doi.org/10.1063/1.4899035

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title = "Investigation of defect nucleation in titanium under mechanical loading",

abstract = "The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.",

keywords = "Molecular dynamics, Nanoindentation, Structural defects",

author = "Zolnikov, {Konstantin P.} and Korchuganov, {Aleksandr V.} and Kryzhevich, {Dmitrij S.} and Psakhie, {Sergey G.}",

year = "2014",

doi = "10.1063/1.4899035",

language = "English",

isbn = "9780735412606",

volume = "1623",

pages = "675--678",

booktitle = "AIP Conference Proceedings",

publisher = "American Institute of Physics Inc.",

note = "International Conference on Physical Mesomechanics of Multilevel Systems 2014 ; Conference date: 03-09-2014 Through 05-09-2014",

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T1 - Investigation of defect nucleation in titanium under mechanical loading

AU - Zolnikov, Konstantin P.

AU - Korchuganov, Aleksandr V.

AU - Kryzhevich, Dmitrij S.

AU - Psakhie, Sergey G.

PY - 2014

Y1 - 2014

N2 - The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.

AB - The paper undertakes a study of plastic deformation in a titanium crystallite under mechanical loading (uniaxial tension and indentation) in terms of atomic mechanisms of its generation and development. The molecular dynamics method with many-body interatomic potentials is employed. It is shown that there is a threshold strain, at which a crystal reveals the generation of local structural transformations associated with changes in atomic configurations of the first and second coordination spheres. The onset of plastic deformation in a crystallite is accompanied by a stepwise decrease in potential energy. The effect of free surfaces and grain boundaries on the generation of local structural transformations in a titanium crystallite is investigated.

KW - Molecular dynamics

KW - Nanoindentation

KW - Structural defects

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EP - 678

BT - AIP Conference Proceedings

PB - American Institute of Physics Inc.

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