Predictive modeling of synergistic effects in nanoscale ion track formation

Zarkadoula, Eva; Pakarinen, Olli H.; Xue, Haizhou; Zhang, Yanwen; Weber, William J.

doi:10.1039/C5CP02382C

Title: Predictive modeling of synergistic effects in nanoscale ion track formation

Journal Article · Wed Aug 05 00:00:00 EDT 2015 · Physical Chemistry Chemical Physics. PCCP

DOI:https://doi.org/10.1039/C5CP02382C· OSTI ID:1213352

Zarkadoula, Eva ^[1]; Pakarinen, Olli H. ^[2]; Xue, Haizhou ^[3]; Zhang, Yanwen ^[1]; Weber, William J. ^[4]

Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Helsinki (Finland)
Univ. of Tennessee, Knoxville, TN (United States)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Univ. of Tennessee, Knoxville, TN (United States)

Molecular dynamics techniques and the inelastic thermal spike model are used to study the coupled effects of inelastic energy loss due to 21 MeV Ni ion irradiation and pre-existing defects in SrTiO₃. We determine the dependence on pre-existing defect concentration of nanoscale track formation occurring from the synergy between the inelastic energy loss and the pre-existing atomic defects. We show that the nanoscale ion tracks’ size can be controlled by the concentration of pre-existing disorder. This work identifies a major gap in fundamental understanding concerning the role played by defects in electronic energy dissipation and electron–lattice coupling.

View Accepted Manuscript (DOE)

Cite

Export

Save

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

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1213352

Journal Information:: Physical Chemistry Chemical Physics. PCCP, Vol. 17, Issue 35; ISSN 1463-9076

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 22 works

Citation information provided by
Web of Science

References (40)

Room-temperature ferroelectricity in strained SrTiO₃ Haeni, J. H.; Irvin, P.; Chang, W. Nature, Vol. 430, Issue 7001, p. 758-761 https://doi.org/10.1038/nature02773	journal	August 2004
The radial distribution of dose around the path of a heavy ion in liquid water Waligórski, M. P. R.; Hamm, R. N.; Katz, R. International Journal of Radiation Applications and Instrumentation. Part D. Nuclear Tracks and Radiation Measurements, Vol. 11, Issue 6 https://doi.org/10.1016/1359-0189(86)90057-9	journal	January 1986
Combined effects of nuclear and electronic energy losses in solids irradiated with a dual-ion beam Thomé, Lionel; Debelle, Aurélien; Garrido, Frédérico Applied Physics Letters, Vol. 102, Issue 14 https://doi.org/10.1063/1.4801518	journal	April 2013
Radiation damage formation in InP, InSb, GaAs, GaP, Ge, and Si due to fast ions Kamarou, A.; Wesch, W.; Wendler, E. Physical Review B, Vol. 78, Issue 5 https://doi.org/10.1103/physrevb.78.054111	journal	August 2008
Synergy of elastic and inelastic energy loss on ion track formation in SrTiO3 Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H. Scientific Reports, Vol. 5, Issue 1 https://doi.org/10.1038/srep07726	journal	January 2015
Experimental determination of track cross-section in Gd3Ga5O12 and comparison to the inelastic thermal spike model applied to several materials Meftah, A.; Costantini, J. M.; Khalfaoui, N. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 237, Issue 3-4 https://doi.org/10.1016/j.nimb.2005.02.025	journal	August 2005
The role of electronic energy loss in ion beam modification of materials Weber, William J.; Duffy, Dorothy M.; Thomé, Lionel Current Opinion in Solid State and Materials Science, Vol. 19, Issue 1 https://doi.org/10.1016/j.cossms.2014.09.003	journal	February 2015
Effects of simultaneous displacive and ionizing radiations and of electric field on radiation damage in ionic crystals Kinoshita, Chiken; Matsumura, Syo; Yasuda, Kazuhiro Metallurgical and Materials Transactions A, Vol. 35, Issue 8 https://doi.org/10.1007/s11661-006-0205-9	journal	August 2004
Modelling the effects of electronic excitations in ionic-covalent materials Duffy, D. M.; Daraszewicz, S. L.; Mulroue, J. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 277 https://doi.org/10.1016/j.nimb.2011.12.059	journal	April 2012
Persistent optically induced magnetism in oxygen-deficient strontium titanate Rice, W. D.; Ambwani, P.; Bombeck, M. Nature Materials, Vol. 13, Issue 5 https://doi.org/10.1038/nmat3914	journal	March 2014
Thermal conductivity as a metric for the crystalline quality of SrTiO3 epitaxial layers Oh, Dong-Wook; Ravichandran, Jayakanth; Liang, Chen-Wei Applied Physics Letters, Vol. 98, Issue 22 https://doi.org/10.1063/1.3579993	journal	May 2011
The effect of electronic energy loss on irradiation-induced grain growth in nanocrystalline oxides Zhang, Yanwen; Aidhy, Dilpuneet S.; Varga, Tamas Phys. Chem. Chem. Phys., Vol. 16, Issue 17 https://doi.org/10.1039/c4cp00392f	journal	January 2014
Synergy between electronic and nuclear energy losses for color center creation in AlN Sall, M.; Monnet, I.; Grygiel, C. EPL (Europhysics Letters), Vol. 102, Issue 2 https://doi.org/10.1209/0295-5075/102/26002	journal	April 2013
Response of strontium titanate to ion and electron irradiation Zhang, Y.; Lian, J.; Zhu, Z. Journal of Nuclear Materials, Vol. 389, Issue 2 https://doi.org/10.1016/j.jnucmat.2009.02.014	journal	May 2009
Phase stability and interfacial structures in the SrO–SrTiO ₃ system Mccoy, Michael A.; Grimes, Robin W.; Lee, William E. Philosophical Magazine A, Vol. 75, Issue 3 https://doi.org/10.1080/01418619708207205	journal	March 1997
Dynamic recovery in silicate-apatite structures under irradiation and implications for long-term immobilization of actinides Weber, William J.; Zhang, Yanwen; Xiao, Haiyan RSC Adv., Vol. 2, Issue 2 https://doi.org/10.1039/c1ra00870f	journal	January 2012
Study of ion beam induced epitaxial crystallization of SrTiO3 Oyoshi, K.; Hishita, S.; Haneda, H. Journal of Applied Physics, Vol. 87, Issue 7 https://doi.org/10.1063/1.372365	journal	April 2000
The structure and chemistry of the TiO2-rich surface of SrTiO3 (001) Erdman, Natasha; Poeppelmeier, Kenneth R.; Asta, Mark Nature, Vol. 419, Issue 6902 https://doi.org/10.1038/nature01010	journal	September 2002
Effect of Growth Induced (Non)Stoichiometry on the Structure, Dielectric Response, and Thermal Conductivity of SrTiO ₃ Thin Films Breckenfeld, E.; Wilson, R.; Karthik, J. Chemistry of Materials, Vol. 24, Issue 2 https://doi.org/10.1021/cm203042q	journal	December 2011
Highly conductive nanolayers on strontium titanate produced by preferential ion-beam etching Reagor, David W.; Butko, Vladimir Y. Nature Materials, Vol. 4, Issue 8, p. 593-596 https://doi.org/10.1038/nmat1402	journal	July 2005
Competing effects of electronic and nuclear energy loss on microstructural evolution in ionic-covalent materials Zhang, Y.; Varga, T.; Ishimaru, M. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 327 https://doi.org/10.1016/j.nimb.2013.10.095	journal	May 2014
Synergy of nuclear and electronic energy losses in ion-irradiation processes: The case of vitreous silicon dioxide Toulemonde, Marcel; Weber, William J.; Li, Guosheng Physical Review B, Vol. 83, Issue 5 https://doi.org/10.1103/physrevb.83.054106	journal	February 2011
High-κ gate dielectrics: Current status and materials properties considerations Wilk, G. D.; Wallace, R. M.; Anthony, J. M. Journal of Applied Physics, Vol. 89, Issue 10 https://doi.org/10.1063/1.1361065	journal	May 2001
Metallic and Insulating Interfaces of Amorphous SrTiO ₃ -Based Oxide Heterostructures Chen, Yunzhong; Pryds, Nini; Kleibeuker, Josée E. Nano Letters, Vol. 11, Issue 9 https://doi.org/10.1021/nl201821j	journal	September 2011
DL_POLY_3: new dimensions in molecular dynamics simulations via massive parallelism Todorov, Ilian T.; Smith, William; Trachenko, Kostya Journal of Materials Chemistry, Vol. 16, Issue 20, p. 1911-1918 https://doi.org/10.1039/b517931a	journal	January 2006
Combined experimental and computational study of the recrystallization process induced by electronic interactions of swift heavy ions with silicon carbide crystals Debelle, A.; Backman, M.; Thomé, L. Physical Review B, Vol. 86, Issue 10 https://doi.org/10.1103/physrevb.86.100102	journal	September 2012
Thermal conductivity degradation of ceramic materials due to low temperature, low dose neutron irradiation Snead, L. L.; Zinkle, S. J.; White, D. P. Journal of Nuclear Materials, Vol. 340, Issue 2-3 https://doi.org/10.1016/j.jnucmat.2004.11.009	journal	April 2005
Effect of annealing in processing of strontium titanate thin films by ALD Kosola, Anne; Putkonen, Matti; Johansson, Leena-Sisko Applied Surface Science, Vol. 211, Issue 1-4 https://doi.org/10.1016/s0169-4332(03)00175-2	journal	April 2003
Cooperative effect of electronic and nuclear stopping on ion irradiation damage in silica Backman, M.; Djurabekova, F.; Pakarinen, O. H. Journal of Physics D: Applied Physics, Vol. 45, Issue 50 https://doi.org/10.1088/0022-3727/45/50/505305	journal	November 2012
Effect of ion irradiation on the thermal conductivity of UO2 and U3O8 epitaxial layers Weisensee, Patricia B.; Feser, Joseph P.; Cahill, David G. Journal of Nuclear Materials, Vol. 443, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2013.07.021	journal	November 2013
Energy deposition by heavy ions: Additivity of kinetic and potential energy contributions in hillock formation on CaF2 Wang, Y. Y.; Grygiel, C.; Dufour, C. Scientific Reports, Vol. 4, Issue 1 https://doi.org/10.1038/srep05742	journal	July 2014
Synergy of inelastic and elastic energy loss: Temperature effects and electronic stopping power dependence Zarkadoula, Eva; Xue, Haizhou; Zhang, Yanwen Scripta Materialia, Vol. 110 https://doi.org/10.1016/j.scriptamat.2015.05.044	journal	January 2016
On the conflicting roles of ionizing radiation in ceramics Zinkle, S. J.; Skuratov, V. A.; Hoelzer, D. T. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 191, Issue 1-4 https://doi.org/10.1016/S0168-583X(02)00648-1	journal	May 2002
Electronic transport in doped ${SrTiO}_{3}$ : Conduction mechanisms and potential applications Spinelli, A.; Torija, M. A.; Liu, C. Physical Review B, Vol. 81, Issue 15 https://doi.org/10.1103/PhysRevB.81.155110	journal	April 2010
Radiation effects in crystalline ceramics for the immobilization of high-level nuclear waste and plutonium Weber, W. J.; Ewing, R. C.; Catlow, C. R. A. Journal of Materials Research, Vol. 13, Issue 6 https://doi.org/10.1557/JMR.1998.0205	journal	June 1998
Perfect Softening of the Ferroelectric Mode in the Isotope-Exchanged Strontium Titanate of $SrTi {}^{18}O_{3}$ Studied by Light Scattering Takesada, M.; Itoh, M.; Yagi, T. Physical Review Letters, Vol. 96, Issue 22 https://doi.org/10.1103/PhysRevLett.96.227602	journal	June 2006
Superconducting Transition Temperatures of Semiconducting SrTi $O_{3}$ Koonce, C. S.; Cohen, Marvin L.; Schooley, J. F. Physical Review, Vol. 163, Issue 2 https://doi.org/10.1103/PhysRev.163.380	journal	November 1967
Track creation in SiO2 and BaFe12O19 by swift heavy ions: a thermal spike description Toulemonde, M.; Costantini, J. M.; Dufour, Ch. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 116, Issue 1-4 https://doi.org/10.1016/0168-583X(96)00007-9	journal	August 1996
Damage accumulation and defect relaxation in $4 H − SiC$ Zhang, Y.; Gao, F.; Jiang, W. Physical Review B, Vol. 70, Issue 12 https://doi.org/10.1103/PhysRevB.70.125203	journal	September 2004
Energy deposition by heavy ions: Additivity of kinetic and potential energy contributions in hillock formation on CaF2 Wang, Y. Y.; Grygiel, C.; Dufour, C. arXiv https://doi.org/10.48550/arxiv.1402.3980	text	January 2014

Cited By (3)

Synergistic effects of nuclear and electronic energy deposition on damage production in KTaO ₃ Jin, Ke; Zhang, Yanwen; Weber, William J. Materials Research Letters, Vol. 6, Issue 9 https://doi.org/10.1080/21663831.2018.1495131	journal	July 2018
Insight into picosecond kinetics of insulator surface under ionizing radiation Rymzhanov, R. A.; O'Connell, J. H.; Janse van Vuuren, A. Journal of Applied Physics, Vol. 127, Issue 1 https://doi.org/10.1063/1.5109811	journal	January 2020
Molecular dynamics simulations of the response of pre-damaged SrTiO ₃ and KTaO ₃ to fast heavy ions Zarkadoula, Eva; Zhang, Yanwen; Weber, William J. AIP Advances, Vol. 10, Issue 1 https://doi.org/10.1063/1.5133061	journal	January 2020

Similar Records

Synergy of elastic and inelastic energy loss on ion track formation in SrTiO₃

Journal Article · Mon Jan 12 00:00:00 EST 2015 · Scientific Reports · OSTI ID:1213352

Weber, William J.; Zarkadoula, Eva; Pakarinen, Olli H.; +6 more

Synergistic effects of nuclear and electronic energy loss in KTaO₃ under ion irradiation

Journal Article · Mon Jan 09 00:00:00 EST 2017 · AIP Advances · OSTI ID:1213352

Zarkadoula, Eva; Jin, Ke; Zhang, Yanwen; +1 more

Synergy of inelastic and elastic energy loss. Temperature effects and electronic stopping power dependence

Journal Article · Tue Jun 16 00:00:00 EDT 2015 · Scripta Materialia · OSTI ID:1213352

Zarkadoula, Eva; Xue, Haizhou; Zhang, Yanwen; +1 more

Related Subjects

36 MATERIALS SCIENCE
SrTiO3
molecular dynamics
ion track

Title: Predictive modeling of synergistic effects in nanoscale ion track formation

Citation Formats

References (40)

Cited By (3)

Similar Records

Related Subjects