Associating GB characteristics with its sink efficiency in absorbing Frank loops in Cu

J. Chen; K. Dang; H. T. Vo; P. Hosemann; S. J. Fensin

doi:10.1016/j.scriptamat.2020.10.006

Associating GB characteristics with its sink efficiency in absorbing Frank loops in Cu

J. Chen
, K. Dang
, H. T. Vo
, P. Hosemann
, S. J. Fensin

Los Alamos National Laboratory

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

14 Scopus citations

Abstract

Molecular dynamics (MD) simulations are performed to investigate the interaction of a migrating grain boundary (GB) with interstitial Frank loops, using a set of GBs along the [100] tilt axis in Cu as model systems. Our results show that the interaction is directly related to the misorientation angle. Specifically, three modes of interaction are observed as a function of misorientation angle. The sink efficiency of a GB, namely, the capability of a GB to absorb the Frank loops, increases with misorientation angle. The above trends are explained based on the differences in the structural units comprising the GB. Additionally, the transition angle between different modes can be altered by varying the local GB structure.

Original language	English
Pages (from-to)	61-66
Number of pages	6
Journal	Scripta Materialia
Volume	192
DOIs	https://doi.org/10.1016/j.scriptamat.2020.10.006
State	Published - Feb 1 2021

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title = "Associating GB characteristics with its sink efficiency in absorbing Frank loops in Cu",

abstract = "Molecular dynamics (MD) simulations are performed to investigate the interaction of a migrating grain boundary (GB) with interstitial Frank loops, using a set of GBs along the [100] tilt axis in Cu as model systems. Our results show that the interaction is directly related to the misorientation angle. Specifically, three modes of interaction are observed as a function of misorientation angle. The sink efficiency of a GB, namely, the capability of a GB to absorb the Frank loops, increases with misorientation angle. The above trends are explained based on the differences in the structural units comprising the GB. Additionally, the transition angle between different modes can be altered by varying the local GB structure.",

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AU - Chen, J.

AU - Dang, K.

AU - Vo, H. T.

AU - Hosemann, P.

AU - Fensin, S. J.

PY - 2021/2/1

Y1 - 2021/2/1

N2 - Molecular dynamics (MD) simulations are performed to investigate the interaction of a migrating grain boundary (GB) with interstitial Frank loops, using a set of GBs along the [100] tilt axis in Cu as model systems. Our results show that the interaction is directly related to the misorientation angle. Specifically, three modes of interaction are observed as a function of misorientation angle. The sink efficiency of a GB, namely, the capability of a GB to absorb the Frank loops, increases with misorientation angle. The above trends are explained based on the differences in the structural units comprising the GB. Additionally, the transition angle between different modes can be altered by varying the local GB structure.

AB - Molecular dynamics (MD) simulations are performed to investigate the interaction of a migrating grain boundary (GB) with interstitial Frank loops, using a set of GBs along the [100] tilt axis in Cu as model systems. Our results show that the interaction is directly related to the misorientation angle. Specifically, three modes of interaction are observed as a function of misorientation angle. The sink efficiency of a GB, namely, the capability of a GB to absorb the Frank loops, increases with misorientation angle. The above trends are explained based on the differences in the structural units comprising the GB. Additionally, the transition angle between different modes can be altered by varying the local GB structure.

UR - https://www.scopus.com/pages/publications/85092488011

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VL - 192

SP - 61

EP - 66

JO - Scripta Materialia

JF - Scripta Materialia

ER -

Associating GB characteristics with its sink efficiency in absorbing Frank loops in Cu

Abstract

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