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; A Molecular dynamics studySasajima, Yasushi*; Ajima, Naoki*; Kaminaga, Ryuichi*; Ishikawa, Norito; Iwase, Akihiro*
Nuclear Instruments and Methods in Physics Research B, 440, p.118 - 125, 2019/02
Times Cited Count：2 Percentile：23.19(Instruments & Instrumentation)In the present paper, we have extensively analyzed the atomic structures generated by supplying a thermal spike to the single crystal CeO. Our analysis results were compared with the atomic structures obtained by the microscope experiments. Our simulation reproduced the distribution of the numbers of oxygen atoms obtained from the analysis of microscope images. We found that the number of vacancies was increased abruptly immediately after the thermal spike, and the number subsequently dropped through a relaxation process within 3 ps.
O
-doped CeOSasajima, Yasushi*; Ajima, Naoki*; Osada, Takuya*; Ishikawa, Norito; Iwase, Akihiro*
Nuclear Instruments and Methods in Physics Research B, 316, p.176 - 182, 2013/12
Times Cited Count：4 Percentile：33.02(Instruments & Instrumentation)The structural relaxation caused by the high-energy-ion irradiation of CeO with GdO addition was simulated by the molecular dynamics method. The amount of GdO was changed. As the initial condition, high thermal energy was supplied to the individual atoms within a cylindrical region of nanometer-order radius located in the center of the specimen. The potential proposed by Inaba et al. was utilized to calculate interaction between atoms. The supplied thermal energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it dissipated in the specimen. By increasing the concentration of GdO, more structural disorder was observed in the sample, which is consistent to the actual experiment.
Sasajima, Yasushi*; Osada, Takuya*; Ishikawa, Norito; Iwase, Akihiro*
Nuclear Instruments and Methods in Physics Research B, 314, p.195 - 201, 2013/11
Times Cited Count：4 Percentile：33.02(Instruments & Instrumentation)The structural modification caused by the high-energy-ion irradiation of single-crystalline uranium dioxide was simulated by the molecular dynamics method. As the initial condition, high kinetic energy was supplied to the individual atoms within a cylindrical region of nanometer-order radius located in the center of the specimen. The potential proposed by Basak et al. was utilized to calculate interaction between atoms. The supplied kinetic energy was first spent to change the crystal structure into an amorphous one within a short period of about 0.3 ps, then it dissipated in the specimen. The amorphous track radius 
was determined as a function of the effective stopping power 
, i.e., the kinetic energy of atoms per unit length created by ion irradiation (: electronic stopping power, : energy transfer ratio from stopping power to lattice vibration energy).
Sasajima, Yasushi*; Ajima, Naoki*; Osada, Takuya*; Ishikawa, Norito; Iwase, Akihiro*
Nuclear Instruments and Methods in Physics Research B, 314, p.202 - 207, 2013/11
Times Cited Count：9 Percentile：57.54(Instruments & Instrumentation)We used a molecular dynamics method to simulate structural relaxation caused by the high-energy-ion irradiation of single crystal CeO. As the initial condition, we assumed high thermal energy was supplied to the individual atoms within a cylindrical region of nanometer-order diameter located in the center of the single crystal. The potential proposed by Inaba et al. was utilized to calculate interactions between atoms.
