Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques

Zainab Al Tooq (7158560)
Steven Kenny (1248948)

January 2013

The long timescale evolution of radiation damage near grain boundaries (GB) in fcc Ni and a Ni–Cr al...

Surface effects and statistical laws of defects in primary radiation damage : Tungsten vs. iron

Sand, A. E.
Aliaga, M. J.
Caturla, M. J.
Nordlund, K.

August 2016

We have investigated the effect of surfaces on the statistics of primary radiation damage, comparing...

Effects of Carbon on Fracture Mechanisms in Nanocrystalline BCC Iron- Atomistic Simulations

Brian Hyde
William T. Reynolds
Sean G. Corcoran
Stephen Kampe
Romesh Batra
Brian Hyde

January 2004

Atomistic computer simulations were performed using embedded atom method interatomic potentials in α...

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Xiangyan Li
Wei Liu
Yichun Xu
C.S. Liu
B.C. Pan
Yunfeng Liang
Q.F. Fang
Jun-Ling Chen
G.-N. Luo
Guang-Hong Lu
Zhiguang Wang

June 2016

We provide the dataset of the vacancy (interstitial) formation energy, segregation energy, diffusion...

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Li, Xiangyan
Liu, Wei
Xu, Yichun
Liu, C.S.
Pan, B.C.
Liang, Yunfeng
Fang, Q.F.
Chen, Jun-Ling
Luo, G.-N.
Lu, Guang-Hong
Wang, Zhiguang

June 2016

AbstractWe provide the dataset of the vacancy (interstitial) formation energy, segregation energy, d...

Atomic Scale Details of Defect-Boundary Interactions

Chen, Di

April 2015

The study is aimed to understand atomic scale details of defect-boundary interactions, which are cri...

Structural changes at grain boundaries in bcc iron induced by atomic collisions

Francisco J. Perez Perez (7123991)
Roger Smith (1247901)

January 1999

Symmetrical tilt and twist grain boundary structures have been simulated in bcc iron using a many-bo...

Cascade overlap with vacancy-type defects in Fe

Granberg, Fredric
Byggmästar, Jesper
Nordlund, Kai

July 2019

In order to understand the effect of irradiation on the material properties, we need to look into th...

Effect of Vacancies on the Nucleation of Cr Precipitates at Grain Boundary in α-Fe

Dai, Y.Y.
Yang, L.
Nie, J.L.
Peng, S.M.
Long, X.G.
Zhou, X.S.
Zu, X.T.
Liu, L.
Gao, F.

July 2018

Effect of local vacancies on the nucleation of Cr precipitates at Σ3 ⟨110⟩ {112} grain boundary (GB)...

STRUCTURE AND PROPERTIES OF POINT DEFECTS IN GRAIN BOUNDARIES IN METALS

R.W. Balluffi

January 1982

The atomistic structures of a number of single vacancies and interstitials at a number of sites in t...

Collision cascades overlapping with self-interstitial defect clusters in Fe and W

Byggmästar, J
Granberg, F
Sand, A E
Pirttikoski, A
Alexander, Rebecca
Marinica, M. C.
Nordlund, K

June 2019

Overlap of collision cascades with previously formed defect clusters become increasingly likely at r...

Diffusion dynamics of defects in Fe and Fe-P systems

Stewart M.J. Gordon (7158722)
Steven D. Kenny (7125461)
Roger Smith (10569)

January 2005

The dimer method with the Ackland EAM potential has been used to determine the diffusion mechanisms ...

Effects of the short-range repulsive potential on cascade damage in iron

Byggmästar, J.
Granberg, F.
Nordlund, K.

September 2018

Recent work has shown that the repulsive part of the interatomic potential at intermediate atomic se...

Computational study of radiation damage and impurity effects in iron based alloys

Galloway, Graham

November 2014

Molecular dynamics techniques are used to explore metals at an atomic level. The focus of the studi...

The interaction of P atoms and radiation defects with grain boundaries in an alpha-Fe matrix

Hurryramsingh Hurchand (7158479)
Steven Kenny (1248948)
Roger Smith (1247901)

January 2005

Classical molecular dynamics simulations have been employed to investigate the influence of P impuri...

Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques

Zainab Al Tooq (7158560)
Steven Kenny (1248948)

January 2013

The long timescale evolution of radiation damage near grain boundaries (GB) in fcc Ni and a Ni–Cr al...

Surface effects and statistical laws of defects in primary radiation damage : Tungsten vs. iron

Sand, A. E.
Aliaga, M. J.
Caturla, M. J.
Nordlund, K.

August 2016

We have investigated the effect of surfaces on the statistics of primary radiation damage, comparing...

Effects of Carbon on Fracture Mechanisms in Nanocrystalline BCC Iron- Atomistic Simulations

Brian Hyde
William T. Reynolds
Sean G. Corcoran
Stephen Kampe
Romesh Batra
Brian Hyde

January 2004

Atomistic computer simulations were performed using embedded atom method interatomic potentials in α...

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Xiangyan Li
Wei Liu
Yichun Xu
C.S. Liu
B.C. Pan
Yunfeng Liang
Q.F. Fang
Jun-Ling Chen
G.-N. Luo
Guang-Hong Lu
Zhiguang Wang

June 2016

We provide the dataset of the vacancy (interstitial) formation energy, segregation energy, diffusion...

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Li, Xiangyan
Liu, Wei
Xu, Yichun
Liu, C.S.
Pan, B.C.
Liang, Yunfeng
Fang, Q.F.
Chen, Jun-Ling
Luo, G.-N.
Lu, Guang-Hong
Wang, Zhiguang

June 2016

AbstractWe provide the dataset of the vacancy (interstitial) formation energy, segregation energy, d...

Atomic Scale Details of Defect-Boundary Interactions

Chen, Di

April 2015

The study is aimed to understand atomic scale details of defect-boundary interactions, which are cri...

Structural changes at grain boundaries in bcc iron induced by atomic collisions

Francisco J. Perez Perez (7123991)
Roger Smith (1247901)

January 1999

Symmetrical tilt and twist grain boundary structures have been simulated in bcc iron using a many-bo...

Cascade overlap with vacancy-type defects in Fe

Granberg, Fredric
Byggmästar, Jesper
Nordlund, Kai

July 2019

In order to understand the effect of irradiation on the material properties, we need to look into th...

Effect of Vacancies on the Nucleation of Cr Precipitates at Grain Boundary in α-Fe

Dai, Y.Y.
Yang, L.
Nie, J.L.
Peng, S.M.
Long, X.G.
Zhou, X.S.
Zu, X.T.
Liu, L.
Gao, F.

July 2018

Effect of local vacancies on the nucleation of Cr precipitates at Σ3 ⟨110⟩ {112} grain boundary (GB)...

STRUCTURE AND PROPERTIES OF POINT DEFECTS IN GRAIN BOUNDARIES IN METALS

R.W. Balluffi

January 1982

The atomistic structures of a number of single vacancies and interstitials at a number of sites in t...

Collision cascades overlapping with self-interstitial defect clusters in Fe and W

Byggmästar, J
Granberg, F
Sand, A E
Pirttikoski, A
Alexander, Rebecca
Marinica, M. C.
Nordlund, K

June 2019

Overlap of collision cascades with previously formed defect clusters become increasingly likely at r...

Diffusion dynamics of defects in Fe and Fe-P systems

Stewart M.J. Gordon (7158722)
Steven D. Kenny (7125461)
Roger Smith (10569)

January 2005

The dimer method with the Ackland EAM potential has been used to determine the diffusion mechanisms ...

Effects of the short-range repulsive potential on cascade damage in iron

Byggmästar, J.
Granberg, F.
Nordlund, K.

September 2018

Recent work has shown that the repulsive part of the interatomic potential at intermediate atomic se...

Computational study of radiation damage and impurity effects in iron based alloys

Galloway, Graham

November 2014

Molecular dynamics techniques are used to explore metals at an atomic level. The focus of the studi...

The interaction of P atoms and radiation defects with grain boundaries in an alpha-Fe matrix

Hurryramsingh Hurchand (7158479)
Steven Kenny (1248948)
Roger Smith (1247901)

January 2005

Classical molecular dynamics simulations have been employed to investigate the influence of P impuri...

Modelling radiation damage at grain boundaries in fcc nickel and Ni-based alloy using long time scale dynamics techniques

Zainab Al Tooq (7158560)
Steven Kenny (1248948)

January 2013

The long timescale evolution of radiation damage near grain boundaries (GB) in fcc Ni and a Ni–Cr al...

Surface effects and statistical laws of defects in primary radiation damage : Tungsten vs. iron

Sand, A. E.
Aliaga, M. J.
Caturla, M. J.
Nordlund, K.

August 2016

We have investigated the effect of surfaces on the statistics of primary radiation damage, comparing...

Effects of Carbon on Fracture Mechanisms in Nanocrystalline BCC Iron- Atomistic Simulations

Brian Hyde
William T. Reynolds
Sean G. Corcoran
Stephen Kampe
Romesh Batra
Brian Hyde

January 2004

Atomistic computer simulations were performed using embedded atom method interatomic potentials in α...

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Abstract

Extracted data

Energetic and kinetic dataset on interaction of the vacancy and self-interstitial atom with the grain boundary in α-iron

Abstract

Extracted data

Related items

Related items