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Journal Articles

Molecular dynamics simulation of fast particle irradiation to the Gd$$_{2}$$O$$_{3}$$-doped CeO$$_{2}$$

Sasajima, 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:33.13(Instruments & Instrumentation)

The structural relaxation caused by the high-energy-ion irradiation of CeO$$_{2}$$ with Gd$$_{2}$$O$$_{3}$$ addition was simulated by the molecular dynamics method. The amount of Gd$$_{2}$$O$$_{3}$$ 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 Gd$$_{2}$$O$$_{3}$$, more structural disorder was observed in the sample, which is consistent to the actual experiment.

Journal Articles

Computer simulation of structural modifications induced by highly energetic ions in uranium dioxide

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:33.13(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 $$R_{rm a}$$ was determined as a function of the effective stopping power $$g$$$$S_{rm e}$$, i.e., the kinetic energy of atoms per unit length created by ion irradiation ($$S_{rm e}$$: electronic stopping power, $$g$$: energy transfer ratio from stopping power to lattice vibration energy).

Journal Articles

Molecular dynamics simulation of fast particle irradiation on the single crystal CeO$$_{2}$$

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:57.76(Instruments & Instrumentation)

We used a molecular dynamics method to simulate structural relaxation caused by the high-energy-ion irradiation of single crystal CeO$$_{2}$$. 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.

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