Solute-atom segregation at (002) twist boundaries in dilute NiPt alloys

Structural/chemical relations

D. Udler*, David N Seidman

*Corresponding author for this work

Research output: Contribution to journalArticle

35 Citations (Scopus)

Abstract

Monte Carlo simulations, utilizing embedded atom method (EAM) potentials, are used to investigate solute-atom segregation behavior at symmetrical (002) twist boundaries, at T = 850 K, in Pt-3 at.% Ni and Ni-3 at.% Pt alloys. The results show that, unlike the previously investigated AuPt system, the boundaries are enhanced in solute atoms on both sides of the phase diagram. For low-angle boundaries on the Pt-rich side the atomic sites enhanced in solute concentration are arranged in hourglass-like structures centered on the square grid of primary grain boundary dislocations. While for the same boundaries on the Ni-rich side the atomic sites enhanced in solute concentration are located in bipyramidal regions based on the square cells of the same grain boundary dislocations. Thus, the atomic sites that are enhanced on one side of the phase diagram are not affected on the other side and vice versa.

Original languageEnglish (US)
Pages (from-to)1959-1972
Number of pages14
JournalActa Metallurgica Et Materialia
Volume42
Issue number6
DOIs
StatePublished - Jan 1 1994

Fingerprint

Dislocations (crystals)
Atoms
Phase diagrams
Grain boundaries
Monte Carlo simulation

ASJC Scopus subject areas

  • Engineering(all)

Cite this

@article{98eb921c776346238c8450e2b2f653a3,
title = "Solute-atom segregation at (002) twist boundaries in dilute NiPt alloys: Structural/chemical relations",
abstract = "Monte Carlo simulations, utilizing embedded atom method (EAM) potentials, are used to investigate solute-atom segregation behavior at symmetrical (002) twist boundaries, at T = 850 K, in Pt-3 at.{\%} Ni and Ni-3 at.{\%} Pt alloys. The results show that, unlike the previously investigated AuPt system, the boundaries are enhanced in solute atoms on both sides of the phase diagram. For low-angle boundaries on the Pt-rich side the atomic sites enhanced in solute concentration are arranged in hourglass-like structures centered on the square grid of primary grain boundary dislocations. While for the same boundaries on the Ni-rich side the atomic sites enhanced in solute concentration are located in bipyramidal regions based on the square cells of the same grain boundary dislocations. Thus, the atomic sites that are enhanced on one side of the phase diagram are not affected on the other side and vice versa.",
author = "D. Udler and Seidman, {David N}",
year = "1994",
month = "1",
day = "1",
doi = "10.1016/0956-7151(94)90021-3",
language = "English (US)",
volume = "42",
pages = "1959--1972",
journal = "Acta Materialia",
issn = "1359-6454",
publisher = "Elsevier Limited",
number = "6",

}

Solute-atom segregation at (002) twist boundaries in dilute NiPt alloys : Structural/chemical relations. / Udler, D.; Seidman, David N.

In: Acta Metallurgica Et Materialia, Vol. 42, No. 6, 01.01.1994, p. 1959-1972.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Solute-atom segregation at (002) twist boundaries in dilute NiPt alloys

T2 - Structural/chemical relations

AU - Udler, D.

AU - Seidman, David N

PY - 1994/1/1

Y1 - 1994/1/1

N2 - Monte Carlo simulations, utilizing embedded atom method (EAM) potentials, are used to investigate solute-atom segregation behavior at symmetrical (002) twist boundaries, at T = 850 K, in Pt-3 at.% Ni and Ni-3 at.% Pt alloys. The results show that, unlike the previously investigated AuPt system, the boundaries are enhanced in solute atoms on both sides of the phase diagram. For low-angle boundaries on the Pt-rich side the atomic sites enhanced in solute concentration are arranged in hourglass-like structures centered on the square grid of primary grain boundary dislocations. While for the same boundaries on the Ni-rich side the atomic sites enhanced in solute concentration are located in bipyramidal regions based on the square cells of the same grain boundary dislocations. Thus, the atomic sites that are enhanced on one side of the phase diagram are not affected on the other side and vice versa.

AB - Monte Carlo simulations, utilizing embedded atom method (EAM) potentials, are used to investigate solute-atom segregation behavior at symmetrical (002) twist boundaries, at T = 850 K, in Pt-3 at.% Ni and Ni-3 at.% Pt alloys. The results show that, unlike the previously investigated AuPt system, the boundaries are enhanced in solute atoms on both sides of the phase diagram. For low-angle boundaries on the Pt-rich side the atomic sites enhanced in solute concentration are arranged in hourglass-like structures centered on the square grid of primary grain boundary dislocations. While for the same boundaries on the Ni-rich side the atomic sites enhanced in solute concentration are located in bipyramidal regions based on the square cells of the same grain boundary dislocations. Thus, the atomic sites that are enhanced on one side of the phase diagram are not affected on the other side and vice versa.

UR - http://www.scopus.com/inward/record.url?scp=0028446968&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0028446968&partnerID=8YFLogxK

U2 - 10.1016/0956-7151(94)90021-3

DO - 10.1016/0956-7151(94)90021-3

M3 - Article

VL - 42

SP - 1959

EP - 1972

JO - Acta Materialia

JF - Acta Materialia

SN - 1359-6454

IS - 6

ER -