Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method

Long, X. H.; Setyawan, W.; Tai, K. P.; Liu, Y.; Yu, M. S.; Wang, Z. Q.; Gao, N.; Wang, X. L.

doi:10.1016/j.carbon.2022.01.059

Title: Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method

Authors:

Long, X. H.;

; Tai, K. P.; Liu, Y.; Yu, M. S.; Wang, Z. Q.;

; Wang, X. L.

Publication Date:: 2022-05-01

Sponsoring Org.:: USDOE Office of Science (SC), Fusion Energy Sciences (FES)

OSTI Identifier:: 1844257

Grant/Contract Number:: AC05-76RLO-1830

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Carbon

Additional Journal Information:: Journal Name: Carbon Journal Volume: 191 Journal Issue: C; Journal ID: ISSN 0008-6223

Publisher:: Elsevier

Country of Publication:: United Kingdom

Language:: English

Citation Formats


                    Long, X. H., Setyawan, W., Tai, K. P., Liu, Y., Yu, M. S., Wang, Z. Q., Gao, N., and Wang, X. L.. Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method.  United Kingdom: N. p., 2022. 
Web.  doi:10.1016/j.carbon.2022.01.059.

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                    Long, X. H., Setyawan, W., Tai, K. P., Liu, Y., Yu, M. S., Wang, Z. Q., Gao, N., & Wang, X. L.. Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method.  United Kingdom.  https://doi.org/10.1016/j.carbon.2022.01.059

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                    Long, X. H., Setyawan, W., Tai, K. P., Liu, Y., Yu, M. S., Wang, Z. Q., Gao, N., and Wang, X. L.. Sun .  
"Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method".  United Kingdom.  https://doi.org/10.1016/j.carbon.2022.01.059.

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@article{osti_1844257,

  title        = {Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method},

  author       = {Long, X. H. and Setyawan, W. and Tai, K. P. and Liu, Y. and Yu, M. S. and Wang, Z. Q. and Gao, N. and Wang, X. L.},

  abstractNote = {},

  doi          = {10.1016/j.carbon.2022.01.059},

  journal      = {Carbon},

  number       = C,

  volume       = 191,

  place        = {United Kingdom},

  year         = {2022},

  month        = {5}

}

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Works referenced in this record:

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Title: Defect formation and bending properties in graphite under He atom implantation investigated by molecular dynamics method

Citation Formats

Vacancy and interstitial defects at graphite surfaces: Scanning tunneling microscopic study of the structure, electronic property, and yield for ion-induced defect creation journal, August 1999

Irradiation damage in nuclear graphite at the atomic scale journal, July 2018

Ion irradiated graphite exposed to fusion-relevant deuterium plasma journal, December 2014

Interaction between helium and self-defects in α-iron from first principles journal, August 2007

Adatoms and nanoengineering of carbon journal, January 2002

Electron Microscope Study of Radiation Damage in Graphite journal, May 1961

Molecular dynamics simulations of irradiation defects in graphite: Single crystal mechanical and thermal properties journal, February 2016

Helium-vacancy interaction in tungsten journal, June 1993

Nuclear Reaction Cross-Section Theory journal, January 1960

Ion irradiation to simulate neutron irradiation in model graphites: Consequences for nuclear graphite journal, October 2017

Marginal-Fermi-liquid behavior from two-dimensional Coulomb interaction journal, January 1999

Fast Parallel Algorithms for Short-Range Molecular Dynamics journal, March 1995

Microstructural evolution of nuclear grade graphite induced by ion irradiation at high temperature environment journal, March 2013

Modelling defect evolution in irradiated graphite journal, December 2019

Thermodynamic signatures of the field-induced states of graphite journal, November 2017

Simulation of primary knock-on atom distribution in HTGR graphite under neutron and ion irradiation journal, April 2021

The effect of pressure and fast neutron irradiation on the thermal expansion coefficients of graphite crystals journal, January 1981

Formation of Ion Irradiation Induced Small-Scale Defects on Graphite Surfaces journal, July 1996

Physics of Graphite journal, September 1982

Electron Optical Study of Basal Dislocations in Graphite journal, December 1960

Helium-vacancy cluster in a single bcc iron crystal lattice journal, June 2011

A unified formulation of the constant temperature molecular dynamics methods journal, July 1984

Location and chemical bond of radionuclides in neutron-irradiated nuclear graphite journal, July 2013

Comparison of irradiation behaviour of HTR graphite grades journal, August 2017

Ripping Graphene: Preferred Directions journal, December 2011

Molecular dynamics simulation of graphene sheets joining under ion beam irradiation journal, January 2014

Failure Predictions for Graphite Reflector Bricks in the Very High Temperature Reactor with the Prismatic Core Design journal, June 2017

Dislocation Loops Due to Quenched-in Point Defects in Graphite journal, July 1960

Annealing of ion irradiation damage in nuclear graphite journal, March 2013

Materials research for fusion journal, May 2016

Formation of dislocation dipoles in irradiated graphite journal, July 2005

Trends in the Characteristic Phonon Frequencies of the NaCl‐, Diamond‐, Zinc‐Blende‐, and Wurtzite‐Type Crystals journal, November 1964

Defecting controllability of bombarding graphene with different energetic atoms via reactive force field model journal, August 2013

ReaxFF: A Reactive Force Field for Hydrocarbons journal, October 2001

Role of Electronic Excitations in Ion Collisions with Carbon Nanostructures journal, July 2007

In situ observation of the ultrafast lattice dynamics of graphite under ion irradiation journal, May 2004

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool journal, December 2009

Effects of ion bombardment on a two-dimensional target: Atomistic simulations of graphene irradiation journal, April 2010

Creation of nanodiamonds by single impacts of highly charged ions upon graphite journal, December 2001

Modification on graphite due to helium ion irradiation journal, July 2016

Enhanced radiation tolerance of the Ni-Co-Cr-Fe high-entropy alloy as revealed from primary damage journal, September 2020

Characterization of structural defects in nuclear graphite IG-110 and NBG-18 journal, March 2014

A time-dependent atomistic reconstruction of severe irradiation damage and associated property changes in nuclear graphite journal, August 2017

Radiation defects in graphite journal, November 2007

The role of cascade energy and temperature in primary defect formation in iron journal, January 2000

Atomistic-Scale Simulations of Defect Formation in Graphene under Noble Gas Ion Irradiation journal, August 2016

Cutting and controlled modification of graphene with ion beams journal, March 2011

Diffusion and coalescence of vacancies and interstitials in graphite: A first-principles study journal, October 2010

Molecular dynamics simulations of high-energy radiation damage in W and W–Re alloys journal, October 2019

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons journal, January 2002

Vacancy and interstitial defects at graphite surfaces: Scanning tunneling microscopic study of the structure, electronic property, and yield for ion-induced defect creation
journal, August 1999

Irradiation damage in nuclear graphite at the atomic scale
journal, July 2018

Ion irradiated graphite exposed to fusion-relevant deuterium plasma
journal, December 2014

Interaction between helium and self-defects in α-iron from first principles
journal, August 2007

Adatoms and nanoengineering of carbon
journal, January 2002

Electron Microscope Study of Radiation Damage in Graphite
journal, May 1961

Molecular dynamics simulations of irradiation defects in graphite: Single crystal mechanical and thermal properties
journal, February 2016

Helium-vacancy interaction in tungsten
journal, June 1993

Nuclear Reaction Cross-Section Theory
journal, January 1960

Ion irradiation to simulate neutron irradiation in model graphites: Consequences for nuclear graphite
journal, October 2017

Marginal-Fermi-liquid behavior from two-dimensional Coulomb interaction
journal, January 1999

Fast Parallel Algorithms for Short-Range Molecular Dynamics
journal, March 1995

Microstructural evolution of nuclear grade graphite induced by ion irradiation at high temperature environment
journal, March 2013

Modelling defect evolution in irradiated graphite
journal, December 2019

Thermodynamic signatures of the field-induced states of graphite
journal, November 2017

Simulation of primary knock-on atom distribution in HTGR graphite under neutron and ion irradiation
journal, April 2021

The effect of pressure and fast neutron irradiation on the thermal expansion coefficients of graphite crystals
journal, January 1981

Formation of Ion Irradiation Induced Small-Scale Defects on Graphite Surfaces
journal, July 1996

Physics of Graphite
journal, September 1982

Electron Optical Study of Basal Dislocations in Graphite
journal, December 1960

Helium-vacancy cluster in a single bcc iron crystal lattice
journal, June 2011

A unified formulation of the constant temperature molecular dynamics methods
journal, July 1984

Location and chemical bond of radionuclides in neutron-irradiated nuclear graphite
journal, July 2013

Comparison of irradiation behaviour of HTR graphite grades
journal, August 2017

Ripping Graphene: Preferred Directions
journal, December 2011

Molecular dynamics simulation of graphene sheets joining under ion beam irradiation
journal, January 2014

Failure Predictions for Graphite Reflector Bricks in the Very High Temperature Reactor with the Prismatic Core Design
journal, June 2017

Dislocation Loops Due to Quenched-in Point Defects in Graphite
journal, July 1960

Annealing of ion irradiation damage in nuclear graphite
journal, March 2013

Materials research for fusion
journal, May 2016

Formation of dislocation dipoles in irradiated graphite
journal, July 2005

Trends in the Characteristic Phonon Frequencies of the NaCl‐, Diamond‐, Zinc‐Blende‐, and Wurtzite‐Type Crystals
journal, November 1964

Defecting controllability of bombarding graphene with different energetic atoms via reactive force field model
journal, August 2013

ReaxFF: A Reactive Force Field for Hydrocarbons
journal, October 2001

Role of Electronic Excitations in Ion Collisions with Carbon Nanostructures
journal, July 2007

In situ observation of the ultrafast lattice dynamics of graphite under ion irradiation
journal, May 2004

Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool
journal, December 2009

Effects of ion bombardment on a two-dimensional target: Atomistic simulations of graphene irradiation
journal, April 2010

Creation of nanodiamonds by single impacts of highly charged ions upon graphite
journal, December 2001

Modification on graphite due to helium ion irradiation
journal, July 2016

Enhanced radiation tolerance of the Ni-Co-Cr-Fe high-entropy alloy as revealed from primary damage
journal, September 2020

Characterization of structural defects in nuclear graphite IG-110 and NBG-18
journal, March 2014

A time-dependent atomistic reconstruction of severe irradiation damage and associated property changes in nuclear graphite
journal, August 2017

Radiation defects in graphite
journal, November 2007

The role of cascade energy and temperature in primary defect formation in iron
journal, January 2000

Atomistic-Scale Simulations of Defect Formation in Graphene under Noble Gas Ion Irradiation
journal, August 2016

Cutting and controlled modification of graphene with ion beams
journal, March 2011

Diffusion and coalescence of vacancies and interstitials in graphite: A first-principles study
journal, October 2010

Molecular dynamics simulations of high-energy radiation damage in W and W–Re alloys
journal, October 2019

A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons
journal, January 2002