Computer simulation of fundamental behaviors of point defects, clusters and interaction with dislocations in Fe and Ni

E. Kuramoto, Kazuhito Ohsawa, T. Tsutsumi

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

In order to investigate the interaction of point defects with a dislocation, an interstitial cluster or a SFT (stacking fault tetrahedron), computer simulation has been carried out in model Fe and Ni crystals. The capture zone (the region where the interaction energy is larger than kT) was determined for various interactions. Calculated capture zone for T = 500°C for SIAs (crowdion and dumbbell) around a straight edge dislocation is larger than that for a vacancy in both Fe and Ni. Capture zones for Ni are larger than those for Fe, suggesting that Ni (fcc) has a larger dislocation bias factor than Fe (bcc). Capture zone calculated for an interstitial cluster (dislocation loop) I61 is smaller than that for a straight edge dislocation, especially in Fe. Capture zones were also calculated for an SFT V28 in Ni, indicating a larger capture zone with SIAs (crowdion and dumbbell) and a smaller capture zone with a vacancy.

Original languageEnglish
Pages (from-to)193-200
Number of pages8
JournalCMES - Computer Modeling in Engineering and Sciences
Volume3
Issue number2
Publication statusPublished - Dec 1 2002

Fingerprint

Point Defects
Edge dislocations
Stacking faults
Point defects
Dislocation
Dislocations (crystals)
Vacancies
Computer Simulation
Computer simulation
Interaction
Vacancy
Triangular pyramid
Stacking
Crystals
Straight
Fault
Crystal
Energy

All Science Journal Classification (ASJC) codes

  • Software
  • Modelling and Simulation
  • Computer Science Applications

Cite this

Computer simulation of fundamental behaviors of point defects, clusters and interaction with dislocations in Fe and Ni. / Kuramoto, E.; Ohsawa, Kazuhito; Tsutsumi, T.

In: CMES - Computer Modeling in Engineering and Sciences, Vol. 3, No. 2, 01.12.2002, p. 193-200.

Research output: Contribution to journalArticle

@article{ca18db5d25cd4c779407bdae189dbfc6,
title = "Computer simulation of fundamental behaviors of point defects, clusters and interaction with dislocations in Fe and Ni",
abstract = "In order to investigate the interaction of point defects with a dislocation, an interstitial cluster or a SFT (stacking fault tetrahedron), computer simulation has been carried out in model Fe and Ni crystals. The capture zone (the region where the interaction energy is larger than kT) was determined for various interactions. Calculated capture zone for T = 500°C for SIAs (crowdion and dumbbell) around a straight edge dislocation is larger than that for a vacancy in both Fe and Ni. Capture zones for Ni are larger than those for Fe, suggesting that Ni (fcc) has a larger dislocation bias factor than Fe (bcc). Capture zone calculated for an interstitial cluster (dislocation loop) I61 is smaller than that for a straight edge dislocation, especially in Fe. Capture zones were also calculated for an SFT V28 in Ni, indicating a larger capture zone with SIAs (crowdion and dumbbell) and a smaller capture zone with a vacancy.",
author = "E. Kuramoto and Kazuhito Ohsawa and T. Tsutsumi",
year = "2002",
month = "12",
day = "1",
language = "English",
volume = "3",
pages = "193--200",
journal = "CMES - Computer Modeling in Engineering and Sciences",
issn = "1526-1492",
publisher = "Tech Science Press",
number = "2",

}

TY - JOUR

T1 - Computer simulation of fundamental behaviors of point defects, clusters and interaction with dislocations in Fe and Ni

AU - Kuramoto, E.

AU - Ohsawa, Kazuhito

AU - Tsutsumi, T.

PY - 2002/12/1

Y1 - 2002/12/1

N2 - In order to investigate the interaction of point defects with a dislocation, an interstitial cluster or a SFT (stacking fault tetrahedron), computer simulation has been carried out in model Fe and Ni crystals. The capture zone (the region where the interaction energy is larger than kT) was determined for various interactions. Calculated capture zone for T = 500°C for SIAs (crowdion and dumbbell) around a straight edge dislocation is larger than that for a vacancy in both Fe and Ni. Capture zones for Ni are larger than those for Fe, suggesting that Ni (fcc) has a larger dislocation bias factor than Fe (bcc). Capture zone calculated for an interstitial cluster (dislocation loop) I61 is smaller than that for a straight edge dislocation, especially in Fe. Capture zones were also calculated for an SFT V28 in Ni, indicating a larger capture zone with SIAs (crowdion and dumbbell) and a smaller capture zone with a vacancy.

AB - In order to investigate the interaction of point defects with a dislocation, an interstitial cluster or a SFT (stacking fault tetrahedron), computer simulation has been carried out in model Fe and Ni crystals. The capture zone (the region where the interaction energy is larger than kT) was determined for various interactions. Calculated capture zone for T = 500°C for SIAs (crowdion and dumbbell) around a straight edge dislocation is larger than that for a vacancy in both Fe and Ni. Capture zones for Ni are larger than those for Fe, suggesting that Ni (fcc) has a larger dislocation bias factor than Fe (bcc). Capture zone calculated for an interstitial cluster (dislocation loop) I61 is smaller than that for a straight edge dislocation, especially in Fe. Capture zones were also calculated for an SFT V28 in Ni, indicating a larger capture zone with SIAs (crowdion and dumbbell) and a smaller capture zone with a vacancy.

UR - http://www.scopus.com/inward/record.url?scp=0042463704&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0042463704&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0042463704

VL - 3

SP - 193

EP - 200

JO - CMES - Computer Modeling in Engineering and Sciences

JF - CMES - Computer Modeling in Engineering and Sciences

SN - 1526-1492

IS - 2

ER -