Vacancy diffusion along twist grain boundaries in copper

Miki Nomura; Sing Yun Lee; James B. Adams

doi:10.1557/JMR.1991.0001

Vacancy diffusion along twist grain boundaries in copper

Miki Nomura, Sing Yun Lee, James B. Adams

Research output: Contribution to journal › Article › peer-review

28 Scopus citations

Abstract

Vacancy diffusion along two different high-angle twist grain boundaries (Σ5 and Σ13) was studied using the Embedded Atom Method (EAM). Vacancy formation energies in all the possible sites were calculated and found to be directly related to the degree of coincidence with the neighboring crystal planes. Optimal migration paths and migration energies were determined and found to be very low. The activation energies for self-diffusion at the boundaries were found to be less than half of the bulk value.

Original language	English (US)
Pages (from-to)	1-4
Number of pages	4
Journal	Journal of Materials Research
Volume	6
Issue number	1
DOIs	https://doi.org/10.1557/JMR.1991.0001
State	Published - Jan 1991
Externally published	Yes

ASJC Scopus subject areas

General Materials Science
Condensed Matter Physics
Mechanics of Materials
Mechanical Engineering

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10.1557/JMR.1991.0001

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title = "Vacancy diffusion along twist grain boundaries in copper",

abstract = "Vacancy diffusion along two different high-angle twist grain boundaries (Σ5 and Σ13) was studied using the Embedded Atom Method (EAM). Vacancy formation energies in all the possible sites were calculated and found to be directly related to the degree of coincidence with the neighboring crystal planes. Optimal migration paths and migration energies were determined and found to be very low. The activation energies for self-diffusion at the boundaries were found to be less than half of the bulk value.",

author = "Miki Nomura and Lee, {Sing Yun} and Adams, {James B.}",

note = "Funding Information: We thank the Department of Energy, Office of Basic Energy Sciences, for their financial support through the Materials Research Laboratory at the University of Illinois. We also thank the National Center for Supercomputing Applications for the use of their Cray X-MP. Finally, we thank Stephen Foiles, Murray Daw, and Mike Baskes of Sandia National Labs for allowing us to use their EAM computer codes.",

year = "1991",

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doi = "10.1557/JMR.1991.0001",

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T1 - Vacancy diffusion along twist grain boundaries in copper

AU - Nomura, Miki

AU - Lee, Sing Yun

AU - Adams, James B.

N1 - Funding Information: We thank the Department of Energy, Office of Basic Energy Sciences, for their financial support through the Materials Research Laboratory at the University of Illinois. We also thank the National Center for Supercomputing Applications for the use of their Cray X-MP. Finally, we thank Stephen Foiles, Murray Daw, and Mike Baskes of Sandia National Labs for allowing us to use their EAM computer codes.

PY - 1991/1

Y1 - 1991/1

N2 - Vacancy diffusion along two different high-angle twist grain boundaries (Σ5 and Σ13) was studied using the Embedded Atom Method (EAM). Vacancy formation energies in all the possible sites were calculated and found to be directly related to the degree of coincidence with the neighboring crystal planes. Optimal migration paths and migration energies were determined and found to be very low. The activation energies for self-diffusion at the boundaries were found to be less than half of the bulk value.

AB - Vacancy diffusion along two different high-angle twist grain boundaries (Σ5 and Σ13) was studied using the Embedded Atom Method (EAM). Vacancy formation energies in all the possible sites were calculated and found to be directly related to the degree of coincidence with the neighboring crystal planes. Optimal migration paths and migration energies were determined and found to be very low. The activation energies for self-diffusion at the boundaries were found to be less than half of the bulk value.

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Vacancy diffusion along twist grain boundaries in copper

Abstract

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