Cascade morphology transition in bcc metals

Setyawan, Wahyu; Selby, Aaron P.; Juslin, Niklas; Stoller, Roger E.; Wirth, Brian D.; Kurtz, Richard J.

doi:10.1088/0953-8984/27/22/225402

Title: Cascade morphology transition in bcc metals

Journal Article · Mon May 18 00:00:00 EDT 2015 · Journal of Physics. Condensed Matter

DOI:https://doi.org/10.1088/0953-8984/27/22/225402· OSTI ID:1336581

Setyawan, Wahyu ^[1]; Selby, Aaron P. ^[2]; Juslin, Niklas ^[2]; Stoller, Roger E. ^[3]; Wirth, Brian D. ^[2]; Kurtz, Richard J. ^[1]

Pacific Northwest National Lab. (PNNL), Richland, WA (United States)
Univ. of Tennessee, Knoxville, TN (United States). Dept. of Nuclear Engineering
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Energetic atom collisions in solids induce shockwaves with complex morphologies. In this paper, we establish the existence of a morphological transition in such cascades. The order parameter of the morphology is defined as the exponent, b, in the defect production curve as a function of cascade energy (N-F similar to E-MD(b)). Response of different bcc metals can be compared in a consistent energy domain when the energy is normalized by the transition energy, mu, between the high-and the low-energy regime. Using Cr, Fe, Mo and W data, an empirical formula of mu as a function of displacement threshold energy, E-d, is presented for bcc metals.

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Research Organization:: Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1336581

Journal Information:: Journal of Physics. Condensed Matter, Vol. 27, Issue 22; ISSN 0953-8984

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 33 works

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References (54)

Irradiation-Induced Defect Production in Elemental Metals and Semiconductors: A Review of Recent Molecular Dynamics Studies de la Rubia, T. D. Annual Review of Materials Science, Vol. 26, Issue 1 https://doi.org/10.1146/annurev.ms.26.080196.003145	journal	August 1996
Defect production in collision cascades in elemental semiconductors and fcc metals Nordlund, K.; Ghaly, M.; Averback, R. S. Physical Review B, Vol. 57, Issue 13 https://doi.org/10.1103/PhysRevB.57.7556	journal	April 1998
The primary damage state in fcc, bcc and hcp metals as seen in molecular dynamics simulations Bacon, D. J.; Gao, F.; Osetsky, Yu. N. Journal of Nuclear Materials, Vol. 276, Issue 1-3 https://doi.org/10.1016/S0022-3115(99)00165-8	journal	January 2000
Molecular dynamics studies of displacement cascades Averback, R. S.; Hsieh, Horngming; de la Rubia, T. Diaz Journal of Nuclear Materials, Vol. 179-181 https://doi.org/10.1016/0022-3115(91)90020-8	journal	March 1991
Molecular dynamics studies of defect production and clustering in energetic displacement cascades in copper de la Rubia, T. Diaz; Phythian, W. J. Journal of Nuclear Materials, Vol. 191-194 https://doi.org/10.1016/S0022-3115(09)80017-2	journal	September 1992
Molecular dynamics simulation of irradiation damage cascades in copper using a many-body potential Foreman, A. J. E.; Phythian, W. J.; English, C. A. Radiation Effects and Defects in Solids, Vol. 129, Issue 1-2 https://doi.org/10.1080/10420159408228875	journal	June 1994
A comparison of displacement cascades in copper and iron by molecular dynamics and its application to microstructural evolution Phythian, W. J.; Stoller, R. E.; Foreman, A. J. E. Journal of Nuclear Materials, Vol. 223, Issue 3 https://doi.org/10.1016/0022-3115(95)00022-4	journal	June 1995
A molecular dynamics study of displacement cascades in α-iron Calder, A. F.; Bacon, D. J. Journal of Nuclear Materials, Vol. 207 https://doi.org/10.1016/0022-3115(93)90245-T	journal	December 1993
Atomic displacement cascade distributions in iron Souidi, A.; Hou, M.; Becquart, C. S. Journal of Nuclear Materials, Vol. 295, Issue 2-3 https://doi.org/10.1016/S0022-3115(01)00556-6	journal	June 2001
Molecular dynamics simulation of displacement cascades in Fe–Cr alloys Malerba, L.; Terentyev, D.; Olsson, P. Journal of Nuclear Materials, Vol. 329-333 https://doi.org/10.1016/j.jnucmat.2004.04.270	journal	August 2004
Simulation of displacement cascades in Fe90Cr10 using a two band model potential Björkas, C.; Nordlund, K.; Malerba, L. Journal of Nuclear Materials, Vol. 372, Issue 2-3 https://doi.org/10.1016/j.jnucmat.2007.03.265	journal	January 2008
Primary radiation damage in bcc Fe and Fe–Cr crystals containing dislocation loops Terentyev, D.; Vörtler, K.; Björkas, C. Journal of Nuclear Materials, Vol. 417, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2010.12.173	journal	October 2011
Primary damage formation in molybdenum: A computer simulation study Pasianot, R.; Alurralde, M.; Almazouzi, A. Philosophical Magazine A, Vol. 82, Issue 9 https://doi.org/10.1080/01418610208235683	journal	June 2002
Molecular dynamics study of displacement cascades in Ni ₃ Al I. General features and defect production efficiency Gao, F.; Bacon, D. J. Philosophical Magazine A, Vol. 71, Issue 1 https://doi.org/10.1080/01418619508242955	journal	January 1995
A molecular dynamics study of high-energy displacement cascades in α-zirconium Wooding, S. J.; Howe, L. M.; Gao, F. Journal of Nuclear Materials, Vol. 254, Issue 2-3 https://doi.org/10.1016/S0022-3115(97)00365-6	journal	April 1998
A molecular dynamics simulation study of displacement cascades in vanadium Morishita, K.; Diaz de la Rubia, T. Journal of Nuclear Materials, Vol. 271-272 https://doi.org/10.1016/S0022-3115(98)00643-6	journal	May 1999
Simulation of damage production and accumulation in vanadium Alonso, E.; Caturla, M. -J; Dı́az de la Rubia, T. Journal of Nuclear Materials, Vol. 276, Issue 1-3 https://doi.org/10.1016/S0022-3115(99)00181-6	journal	January 2000
Modelling radiation effects using the ab-initio based tungsten and vanadium potentials Björkas, C.; Nordlund, K.; Dudarev, S. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 267, Issue 18 https://doi.org/10.1016/j.nimb.2009.06.123	journal	September 2009
Molecular dynamics simulation of irradiation damage in tungsten Park, Na-Young; Kim, Yu-Chan; Seok, Hyun-Kwang Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 265, Issue 2 https://doi.org/10.1016/j.nimb.2007.10.003	journal	December 2007
Molecular dynamics simulation of radiation damage in bcc tungsten Fikar, J.; Schäublin, R. Journal of Nuclear Materials, Vol. 386-388 https://doi.org/10.1016/j.jnucmat.2008.12.068	journal	April 2009
Simulation of cascades in tungsten–helium Juslin, N.; Jansson, V.; Nordlund, K. Philosophical Magazine, Vol. 90, Issue 26 https://doi.org/10.1080/14786435.2010.492248	journal	September 2010
Simulation of displacement cascades in tungsten irradiated by fusion neutrons Troev, T.; Nankov, N.; Yoshiie, T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 269, Issue 6 https://doi.org/10.1016/j.nimb.2011.01.010	journal	March 2011
Computer simulation of displacement cascades in tungsten with modified F–S type potential Fu, Baoqin; Xu, Ben; Lai, Wensheng Journal of Nuclear Materials, Vol. 441, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.05.025	journal	October 2013
Primary damage formation in bcc iron Stoller, R. E.; Odette, G. R.; Wirth, B. D. Journal of Nuclear Materials, Vol. 251 https://doi.org/10.1016/S0022-3115(97)00256-0	journal	November 1997
The nature of high-energy radiation damage in iron Zarkadoula, E.; Daraszewicz, S. L.; Duffy, D. M. Journal of Physics: Condensed Matter, Vol. 25, Issue 12 https://doi.org/10.1088/0953-8984/25/12/125402	journal	February 2013
Electronic effects in high-energy radiation damage in iron Zarkadoula, E.; Daraszewicz, S. L.; Duffy, D. M. Journal of Physics: Condensed Matter, Vol. 26, Issue 8 https://doi.org/10.1088/0953-8984/26/8/085401	journal	February 2014
High-energy collision cascades in tungsten: Dislocation loops structure and clustering scaling laws Sand, A. E.; Dudarev, S. L.; Nordlund, K. EPL (Europhysics Letters), Vol. 103, Issue 4 https://doi.org/10.1209/0295-5075/103/46003	journal	August 2013
Radiation damage production in massive cascades initiated by fusion neutrons in tungsten Sand, A. E.; Nordlund, K.; Dudarev, S. L. Journal of Nuclear Materials, Vol. 455, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.06.007	journal	December 2014
The morphology of collision cascades as a function of recoil energy Heinisch, H. L.; Singh, B. N. Journal of Nuclear Materials, Vol. 179-181 https://doi.org/10.1016/0022-3115(91)90232-V	journal	March 1991
Computer simulation of atomic-displacement cascades in solids in the binary-collision approximation Robinson, Mark; Torrens, Ian Physical Review B, Vol. 9, Issue 12 https://doi.org/10.1103/PhysRevB.9.5008	journal	June 1974
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
A simple empirical N -body potential for transition metals Finnis, M. W.; Sinclair, J. E. Philosophical Magazine A, Vol. 50, Issue 1 https://doi.org/10.1080/01418618408244210	journal	July 1984
Effects of the surface structure and cluster bombardment on the self-sputtering of molybdenum Salonen, E.; J. rvi, T.; Nordlund, K. Journal of Physics: Condensed Matter, Vol. 15, Issue 34 https://doi.org/10.1088/0953-8984/15/34/314	journal	August 2003
An improved N -body semi-empirical model for body-centred cubic transition metals Ackland, G. J.; Thetford, R. Philosophical Magazine A, Vol. 56, Issue 1 https://doi.org/10.1080/01418618708204464	journal	July 1987
Interatomic potentials for simulation of He bubble formation in W Juslin, N.; Wirth, B. D. Journal of Nuclear Materials, Vol. 432, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2012.07.023	journal	January 2013
Iron chromium potential to model high-chromium ferritic alloys Bonny, G.; Pasianot, R. C.; Terentyev, D. Philosophical Magazine, Vol. 91, Issue 12 https://doi.org/10.1080/14786435.2010.545780	journal	April 2011
Primary defect production by high energy displacement cascades in molybdenum Selby, Aaron P.; Xu, Donghua; Juslin, Niklas Journal of Nuclear Materials, Vol. 437, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.01.332	journal	June 2013
A proposed method of calculating displacement dose rates Norgett, M. J.; Robinson, M. T.; Torrens, I. M. Nuclear Engineering and Design, Vol. 33, Issue 1 https://doi.org/10.1016/0029-5493(75)90035-7	journal	August 1975
The effect of electron–ion interactions on radiation damage simulations Rutherford, A. M.; Duffy, D. M. Journal of Physics: Condensed Matter, Vol. 19, Issue 49 https://doi.org/10.1088/0953-8984/19/49/496201	journal	November 2007
Molecular dynamics simulations of threshold displacement energies in Fe Nordlund, K.; Wallenius, J.; Malerba, L. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 246, Issue 2 https://doi.org/10.1016/j.nimb.2006.01.003	journal	May 2006
On the origin of large interstitial clusters in displacement cascades Calder, A. F.; Bacon, D. J.; Barashev, A. V. Philosophical Magazine, Vol. 90, Issue 7-8 https://doi.org/10.1080/14786430903117141	journal	March 2010
Shock-induced dislocations Hornbogen, E. Acta Metallurgica, Vol. 10, Issue 10 https://doi.org/10.1016/0001-6160(62)90153-0	journal	October 1962
A mechanism for dislocation generation in shock-wave deformation Meyers, Marc A. Scripta Metallurgica, Vol. 12, Issue 1 https://doi.org/10.1016/0036-9748(78)90219-3	journal	January 1978
Dislocation structure behind a shock front in fcc perfect crystals: Atomistic simulation results Germann, Timothy C.; Holian, Brad Lee; Lomdahl, Peter S. Metallurgical and Materials Transactions A, Vol. 35, Issue 9 https://doi.org/10.1007/s11661-004-0206-5	journal	September 2004
Dislocation structure for one-dimensional strain in a shocked crystal Bandak, F. A.; Armstrong, R. W.; Douglas, A. S. Physical Review B, Vol. 46, Issue 6 https://doi.org/10.1103/PhysRevB.46.3228	journal	August 1992
Formation of nanodislocation dipoles in shock-compressed crystals Bandak, F. A.; Tsai, D. H.; Armstrong, R. W. Physical Review B, Vol. 47, Issue 18 https://doi.org/10.1103/PhysRevB.47.11681	journal	May 1993
New mechanism of defect production in metals: A molecular-dynamics study of interstitial-dislocation-loop formation in high-energy displacement cascades Diaz de la Rubia, T.; Guinan, M. W. Physical Review Letters, Vol. 66, Issue 21 https://doi.org/10.1103/PhysRevLett.66.2766	journal	May 1991
In situ study of self-ion irradiation damage in W and W–5Re at 500 °C Yi, X.; Jenkins, M. L.; Briceno, M. Philosophical Magazine, Vol. 93, Issue 14 https://doi.org/10.1080/14786435.2012.754110	journal	May 2013
Heavy-ion damage in α Fe English, C. A.; Eyre, B. L.; Jenkins, M. L. Nature, Vol. 263, Issue 5576 https://doi.org/10.1038/263400a0	journal	September 1976
Heavy-ion irradiations of Fe and Fe–Cr model alloys Part 1: Damage evolution in thin-foils at lower doses Yao, Z.; Hernández-Mayoral, M.; Jenkins, M. L. Philosophical Magazine, Vol. 88, Issue 21 https://doi.org/10.1080/14786430802380469	journal	July 2008
Energy Dissipation by Ions in the kev Region Lindhard, J.; Scharff, M. Physical Review, Vol. 124, Issue 1 https://doi.org/10.1103/PhysRev.124.128	journal	October 1961
Multiscale modeling of crowdion and vacancy defects in body-centered-cubic transition metals Derlet, P. M.; Nguyen-Manh, D.; Dudarev, S. L. Physical Review B, Vol. 76, Issue 5 https://doi.org/10.1103/PhysRevB.76.054107	journal	August 2007
Including the effects of electronic stopping and electron–ion interactions in radiation damage simulations Duffy, D. M.; Rutherford, A. M. Journal of Physics: Condensed Matter, Vol. 19, Issue 1 https://doi.org/10.1088/0953-8984/19/1/016207	journal	December 2006
Cascade fragmentation under ion beam irradiation: A fractal approach Simeone, D.; Luneville, L.; Serruys, Y. Physical Review E, Vol. 82, Issue 1 https://doi.org/10.1103/PhysRevE.82.011122	journal	July 2010

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displacement cascade
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