Defects and Defect Processes in Ceramics
EMSL Project ID
19841
Abstract
The proposed work is to develop fundamental understanding of defects, defect processes and interfaces in ceramics at the atomic level. In addition, the work will focus on the role of interfaces on dynamic phase transitions and on electronic, ionic, defect and gas transport properties in materials relevant to environmental, energy and national security missions. The work will focus on surface/interface properties; include radiation effects, defect-interface interactions and transport, the role of hydrogen and surface structure on electronic and ionic transport. This work is relevant to nuclear waste immobilization, the hydrogen economy, fuel cell technology, materials for a closed nuclear fuel cycle, materials for advanced nuclear power technology, and advanced radiation detector technology. The proposal will employ multiple experimental facilities and techniques in EMSL, and this proposed experimental work is closely integrated with a multidisciplinary team using EMSL computational capabilities in complementary studies (EMSL 8208).The defect processes of primary interest are defect production and formation, defect migration, defect interactions, and defect mechanisms related to the kinetics of irradiation effects, ion implantation, ionic transport, and phase transformations in ceramics. The research approach and management philosophy are based on a team of highly-motivated experimental at PNNL and external collaborators who perform highly-integrated studies with computational scientists on defects and defect processes in related materials.
Project Details
Project type
Large-Scale EMSL Research
Start Date
2006-09-01
End Date
2009-09-30
Status
Closed
Released Data Link
Team
Principal Investigator
Team Members
Related Publications
Bae IT, W Jiang, CM Wang, WJ Weber, and Y Zhang, Thermal Evolution of Microstructure in Ion-Irradiated GaN, J. Applied Physics 105 [8]: 083514, 1-7 (2009).
Bae IT, WJ Weber, and Y Zhang. 2009. "Direct measurement of local volume change in ion-irradiated and annealed SiC." Journal of Applied Physics 106(12):123525, 1-5. doi:10.1063/1.3272808
Bae IT, Y Zhang, WJ Weber, M Ishimaru, Y Hirotsu, and M Higuchi. 2008. "Ionization-induced effects in amorphous apatite at elevated temperatures." Journal of Materials Research 23(4):962-967. doi:10.1557/JMR.2008.0114
Bae IT, Y Zhang, WJ Weber, M Ishimaru, Y Hirotsu, and M Higuchi. 2008. "Temperature dependence of electron-beam induced effects in amorphous apatite ." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 266(12-13):3037-3042. doi:10.1016/j.nimb.2008.03.160
Devanathan R, J Yu, and WJ Weber, Energetic Recoils in UO2 Simulated using Five Different Potentials, J. Chemical Physics 130 [17]: 174502, 1-9 (2009).
Gao F, WJ Weber, HY Xiao, and XT Zu, Formation and Properties of Defects and Small Vacancy Clusters in SiC: Ab Initio Calculations, Nucl. Instrum. and Methods in Physics Res. B 267 [18]: 2995-2998 (2009).
Ishimaru M, A Hirata, M Naito, IT Bae, Y Zhang, and WJ Weber. 2008. "Direct observations of thermally induced structural changes in amorphous silicon carbide." Journal of Applied Physics 104(3):033503, 1-5. doi:10.1063/1.2960342
Ishimaru M, Y Zhang, and WJ Weber. 2009. "Ion-beam-induced chemical disorder in GaN." Journal of Applied Physics 106(5):053513, 1-4. doi:10.1063/1.3212555
Jagielski J, L Thome, Y Zhang, CM Wang, A Turos, L Nowicki, K Pagowska, and I Jozwik. 2010. "Defect studies in ion irradiated AlGaN." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 268(11-12):2056-2059. doi:10.1016/j.nimb.2010.02.055
Jiang W, and WJ Weber, Anisotropy of Disorder Accumulation and Recovery in 6H-SiC Irradiated with Au2+ Ions at 140 K, J. Nuclear Materials 389 [2] 332-335 (2009).
Jiang W, H Wang, I Kim, IT Bae, G Li, P Nachimuthu, Z Zhu, Y Zhang, and WJ Weber. 2009. "Response of Nanocrystalline 3C Silicon Carbide to Heavy-Ion Irradiation." Physical Review. B, Condensed Matter 80(16):Art. No.161301(R). doi:10.1103/PhysRevB.80.161301
Jiang W, WJ Weber, J Lian, and NM Kalkhoran. 2009. "Disorder accumulation and recovery in gold-ion irradiated 3C-SiC." Journal of Applied Physics 105(1):013529:1-6. doi:10.1063/1.3055797
Moreira PAFP, R Devanathan, J Yu, and WJ Weber, Molecular Dynamics Simulation of Threshold Displacement Energies in Zircon, Nucl. Instrum. and Methods in Physics Res. B 267 [20]: 3431-34536 (2009).
Yu J, R Devanathan, and WJ Weber, Unified Interatomic Potential for Zircon, Zirconia and Silica Systems, J. Materials Chemistry 19 [23]: 3923-3930 (2009).
Zhang Y, and WJ Weber, Response of Materials to Single Ion Events, Nucl. Instrum. and Methods in Physics Res. B 267 [8-9]: 1705-1712 (2009).
Zhang Y, IT Bae, and WJ Weber. 2008. "Atomic Collision and Ionization Effects in Oxides." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 266(12-13):2828-2833. doi:10.1016/j.nimb.2008.03.197
Zhang Y, IT Bae, K Sun, CM Wang, M Ishimaru, Z Zhu, W Jiang, and WJ Weber, Damage Profile and Ion Distribution of Slow Heavy Ions in Compounds, J. Applied Physics 105 [10]: 104901, 1-12 (2009).
Zhang Y, J Jagielski, IT Bae, X Xiang, L Thome, G Balakrishnan, DM Paul, and WJ Weber. 2010. "Damage evolution in Au-implanted Ho2Ti2O7 titanate pyrochlore." Nuclear Instruments and Methods in Physics Research. Section B, Beam Interactions with Materials and Atoms 268(19):3009-3013. doi:doi:10.1016/j.nimb.2010.05.029
Zhang Y, J Lian, Z Zhu, WD Bennett, LV Saraf, JL Rausch, CA Hendricks, RC Ewing, and WJ Weber, Response of Strontium Titanate to Ion and Electron Irradiation, J. Nuclear Materials 389 [2]: 303-310 (2009).