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

Journal Article · 01 May 2022 · Carbon

DOI: https://doi.org/10.1016/j.carbon.2022.01.059 · OSTI ID:1844257

Long, X. H.;

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

; Wang, X. L.

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

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

OSTI ID:: 1844257

Journal Information:: Carbon, Journal Name: Carbon Vol. 191 Journal Issue: C; ISSN 0008-6223

Publisher:: ElsevierCopyright Statement

Country of Publication:: United Kingdom

Language:: English

References (50)

Vacancy and interstitial defects at graphite surfaces: Scanning tunneling microscopic study of the structure, electronic property, and yield for ion-induced defect creation Hahn, J. R.; Kang, H. Physical Review B, Vol. 60, Issue 8 https://doi.org/10.1103/PhysRevB.60.6007	journal	August 1999
Irradiation damage in nuclear graphite at the atomic scale Chartier, A.; Van Brutzel, L.; Pageot, J. Carbon, Vol. 133 https://doi.org/10.1016/j.carbon.2018.03.024	journal	July 2018
Ion irradiated graphite exposed to fusion-relevant deuterium plasma Deslandes, Alec; Guenette, Mathew C.; Corr, Cormac S. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 340 https://doi.org/10.1016/j.nimb.2014.06.027	journal	December 2014
Interaction between helium and self-defects in α-iron from first principles Fu, Chu-Chun; Willaime, F. Journal of Nuclear Materials, Vol. 367-370 https://doi.org/10.1016/j.jnucmat.2007.03.002	journal	August 2007
Adatoms and nanoengineering of carbon Ewels, C. P.; Heggie, M. I.; Briddon, P. R. Chemical Physics Letters, Vol. 351, Issue 3-4 https://doi.org/10.1016/S0009-2614(01)01371-9	journal	January 2002
Electron Microscope Study of Radiation Damage in Graphite Bollmann, W. Journal of Applied Physics, Vol. 32, Issue 5 https://doi.org/10.1063/1.1736121	journal	May 1961
Molecular dynamics simulations of irradiation defects in graphite: Single crystal mechanical and thermal properties Trevethan, T.; Heggie, M. I. Computational Materials Science, Vol. 113 https://doi.org/10.1016/j.commatsci.2015.11.012	journal	February 2016
Helium-vacancy interaction in tungsten Abd El Keriem, M. S.; van der Werf, D. P.; Pleiter, F. Physical Review B, Vol. 47, Issue 22 https://doi.org/10.1103/PhysRevB.47.14771	journal	June 1993
Nuclear Reaction Cross-Section Theory Moore, R. G. Reviews of Modern Physics, Vol. 32, Issue 1 https://doi.org/10.1103/RevModPhys.32.101	journal	January 1960
Ion irradiation to simulate neutron irradiation in model graphites: Consequences for nuclear graphite Galy, N.; Toulhoat, N.; Moncoffre, N. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 409 https://doi.org/10.1016/j.nimb.2017.05.056	journal	October 2017
Marginal-Fermi-liquid behavior from two-dimensional Coulomb interaction González, J.; Guinea, F.; Vozmediano, M. A. H. Physical Review B, Vol. 59, Issue 4 https://doi.org/10.1103/PhysRevB.59.R2474	journal	January 1999
Fast Parallel Algorithms for Short-Range Molecular Dynamics Plimpton, Steve Journal of Computational Physics, Vol. 117, Issue 1 https://doi.org/10.1006/jcph.1995.1039	journal	March 1995
Microstructural evolution of nuclear grade graphite induced by ion irradiation at high temperature environment Tsai, Shuo-Cheng; Huang, E-Wen; Kai, Ji-Jung Journal of Nuclear Materials, Vol. 434, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.11.013	journal	March 2013
Modelling defect evolution in irradiated graphite Zhou, Ying; Jolley, Kenny; Phillips, Rhiannon Carbon, Vol. 154 https://doi.org/10.1016/j.carbon.2019.07.092	journal	December 2019
Thermodynamic signatures of the field-induced states of graphite LeBoeuf, D.; Rischau, C. W.; Seyfarth, G. Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/s41467-017-01394-7	journal	November 2017
Simulation of primary knock-on atom distribution in HTGR graphite under neutron and ion irradiation Gao, Jie; Lv, Shasha; Zhao, Yumeng Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 492 https://doi.org/10.1016/j.nimb.2021.01.013	journal	April 2021
The effect of pressure and fast neutron irradiation on the thermal expansion coefficients of graphite crystals Kelly, B. T. Carbon, Vol. 19, Issue 2 https://doi.org/10.1016/0008-6223(81)90109-3	journal	January 1981
Formation of Ion Irradiation Induced Small-Scale Defects on Graphite Surfaces Nordlund, K.; Keinonen, J.; Mattila, T. Physical Review Letters, Vol. 77, Issue 4 https://doi.org/10.1103/PhysRevLett.77.699	journal	July 1996
Physics of Graphite Inglesfield, John E. Physics Bulletin, Vol. 33, Issue 9 https://doi.org/10.1088/0031-9112/33/9/037	journal	September 1982
Electron Optical Study of Basal Dislocations in Graphite Amelinckx, S.; Delavignette, P. Journal of Applied Physics, Vol. 31, Issue 12 https://doi.org/10.1063/1.1735512	journal	December 1960
Helium-vacancy cluster in a single bcc iron crystal lattice Gao, N.; Victoria, M.; Chen, J. Journal of Physics: Condensed Matter, Vol. 23, Issue 24 https://doi.org/10.1088/0953-8984/23/24/245403	journal	June 2011
A unified formulation of the constant temperature molecular dynamics methods Nosé, Shuichi The Journal of Chemical Physics, Vol. 81, Issue 1 https://doi.org/10.1063/1.447334	journal	July 1984
Location and chemical bond of radionuclides in neutron-irradiated nuclear graphite Vulpius, D.; Baginski, K.; Fischer, C. Journal of Nuclear Materials, Vol. 438, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.02.027	journal	July 2013
Comparison of irradiation behaviour of HTR graphite grades Heijna, M. C. R.; de Groot, S.; Vreeling, J. A. Journal of Nuclear Materials, Vol. 492 https://doi.org/10.1016/j.jnucmat.2017.05.012	journal	August 2017
Ripping Graphene: Preferred Directions Kim, Kwanpyo; Artyukhov, Vasilii I.; Regan, William Nano Letters, Vol. 12, Issue 1 https://doi.org/10.1021/nl203547z	journal	December 2011
Molecular dynamics simulation of graphene sheets joining under ion beam irradiation Wu, Xin; Zhao, Haiyan; Zhong, Minlin Carbon, Vol. 66 https://doi.org/10.1016/j.carbon.2013.08.027	journal	January 2014
Failure Predictions for Graphite Reflector Bricks in the Very High Temperature Reactor with the Prismatic Core Design Singh, Gyanender; Fok, Alex; Mantell, Susan Nuclear Engineering and Design, Vol. 317 https://doi.org/10.1016/j.nucengdes.2017.03.037	journal	June 2017
Dislocation Loops Due to Quenched-in Point Defects in Graphite Amelinckx, S.; Delavignette, P. Physical Review Letters, Vol. 5, Issue 2 https://doi.org/10.1103/PhysRevLett.5.50	journal	July 1960
Annealing of ion irradiation damage in nuclear graphite Lasithiotakis, Michael; Marsden, Barry J.; James Marrow, T. Journal of Nuclear Materials, Vol. 434, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.12.001	journal	March 2013
Materials research for fusion Knaster, J.; Moeslang, A.; Muroga, T. Nature Physics, Vol. 12, Issue 5 https://doi.org/10.1038/nphys3735	journal	May 2016
Formation of dislocation dipoles in irradiated graphite Niwase, Keisuke Materials Science and Engineering: A, Vol. 400-401 https://doi.org/10.1016/j.msea.2005.03.048	journal	July 2005
Trends in the Characteristic Phonon Frequencies of the NaCl‐, Diamond‐, Zinc‐Blende‐, and Wurtzite‐Type Crystals Mitra, S. S.; Marshall, R. The Journal of Chemical Physics, Vol. 41, Issue 10 https://doi.org/10.1063/1.1725690	journal	November 1964
Defecting controllability of bombarding graphene with different energetic atoms via reactive force field model Liu, Xiao Yi; Wang, Feng Chao; Park, Harold S. Journal of Applied Physics, Vol. 114, Issue 5 https://doi.org/10.1063/1.4817790	journal	August 2013
ReaxFF: A Reactive Force Field for Hydrocarbons van Duin, Adri C. T.; Dasgupta, Siddharth; Lorant, Francois The Journal of Physical Chemistry A, Vol. 105, Issue 41 https://doi.org/10.1021/jp004368u	journal	October 2001
Role of Electronic Excitations in Ion Collisions with Carbon Nanostructures Krasheninnikov, Arkady V.; Miyamoto, Yoshiyuki; Tománek, David Physical Review Letters, Vol. 99, Issue 1 https://doi.org/10.1103/PhysRevLett.99.016104	journal	July 2007
In situ observation of the ultrafast lattice dynamics of graphite under ion irradiation Ishioka, Kunie; Hase, Muneaki; Kitajima, Masahiro Solid State Communications, Vol. 130, Issue 5 https://doi.org/10.1016/j.ssc.2004.02.016	journal	May 2004
Visualization and analysis of atomistic simulation data with OVITO–the Open Visualization Tool Stukowski, Alexander Modelling and Simulation in Materials Science and Engineering, Vol. 18, Issue 1 https://doi.org/10.1088/0965-0393/18/1/015012	journal	December 2009
Effects of ion bombardment on a two-dimensional target: Atomistic simulations of graphene irradiation Lehtinen, O.; Kotakoski, J.; Krasheninnikov, A. V. Physical Review B, Vol. 81, Issue 15, Article No. 153401 https://doi.org/10.1103/PhysRevB.81.153401	journal	April 2010
Creation of nanodiamonds by single impacts of highly charged ions upon graphite Meguro, T.; Hida, A.; Suzuki, M. Applied Physics Letters, Vol. 79, Issue 23 https://doi.org/10.1063/1.1424047	journal	December 2001
Modification on graphite due to helium ion irradiation Dutta, N. J.; Mohanty, S. R.; Buzarbaruah, N. Physics Letters A, Vol. 380, Issue 33 https://doi.org/10.1016/j.physleta.2016.05.044	journal	July 2016
Enhanced radiation tolerance of the Ni-Co-Cr-Fe high-entropy alloy as revealed from primary damage Lin, Yeping; Yang, Tengfei; Lang, Lin Acta Materialia, Vol. 196 https://doi.org/10.1016/j.actamat.2020.06.027	journal	September 2020
Characterization of structural defects in nuclear graphite IG-110 and NBG-18 Zheng, Guiqiu; Xu, Peng; Sridharan, Kumar Journal of Nuclear Materials, Vol. 446, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.12.013	journal	March 2014
A time-dependent atomistic reconstruction of severe irradiation damage and associated property changes in nuclear graphite Farbos, Baptiste; Freeman, Helen; Hardcastle, Trevor Carbon, Vol. 120 https://doi.org/10.1016/j.carbon.2017.05.009	journal	August 2017
Radiation defects in graphite Telling, R. H.; Heggie, M. I. Philosophical Magazine, Vol. 87, Issue 31 https://doi.org/10.1080/14786430701210023	journal	November 2007
The role of cascade energy and temperature in primary defect formation in iron Stoller, Roger E. Journal of Nuclear Materials, Vol. 276, Issue 1-3 https://doi.org/10.1016/S0022-3115(99)00204-4	journal	January 2000
Atomistic-Scale Simulations of Defect Formation in Graphene under Noble Gas Ion Irradiation Yoon, Kichul; Rahnamoun, Ali; Swett, Jacob L. ACS Nano, Vol. 10, Issue 9 https://doi.org/10.1021/acsnano.6b03036	journal	August 2016
Cutting and controlled modification of graphene with ion beams Lehtinen, O.; Kotakoski, J.; Krasheninnikov, A. V. Nanotechnology, Vol. 22, Issue 17 https://doi.org/10.1088/0957-4484/22/17/175306	journal	March 2011
Diffusion and coalescence of vacancies and interstitials in graphite: A first-principles study Zhang, Hongyu; Zhao, Mingwen; Yang, Xinmei Diamond and Related Materials, Vol. 19, Issue 10 https://doi.org/10.1016/j.diamond.2010.06.010	journal	October 2010
Molecular dynamics simulations of high-energy radiation damage in W and W–Re alloys Fu, Jun; Chen, Yangchun; Fang, Jingzhong Journal of Nuclear Materials, Vol. 524 https://doi.org/10.1016/j.jnucmat.2019.06.027	journal	October 2019
A second-generation reactive empirical bond order (REBO) potential energy expression for hydrocarbons Brenner, Donald W.; Shenderova, Olga A.; Harrison, Judith A. Journal of Physics: Condensed Matter, Vol. 14, Issue 4 https://doi.org/10.1088/0953-8984/14/4/312	journal	January 2002

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