Abstract
A new many-body potential is proposed for pure molybdenum that consists of using ab initio and atomistic MD simulation methods verified against existing surface erosion experimental data. Mo is an important material for metallic U-Mo alloys for using them in low-enriched fuels. Several new Xe-Mo potentials were also parameterized by comparing the calculated sputtering yield of a Mo-surface bombarded with Xe ions with experimental data. Calculated results were also compared with defect distributions in CeO2 crystals obtained from experiments by 500 keV Xe implantation at the doses of 1×1017 ions/cm 2 at several temperatures.
| Original language | English |
|---|---|
| Title of host publication | Application of Accelerators in Research and Industry - Twenty-First International Conference, CAARI 2010 |
| Pages | 672-676 |
| Number of pages | 5 |
| Volume | 1336 |
| DOIs | |
| Publication status | Published - 2011 |
| Externally published | Yes |
| Event | 21st International Conference on Application of Accelerators in Research and Industry, CAARI 2010 - Fort Worth, TX, United States Duration: Aug 8 2010 → Aug 13 2010 |
Other
| Other | 21st International Conference on Application of Accelerators in Research and Industry, CAARI 2010 |
|---|---|
| Country | United States |
| City | Fort Worth, TX |
| Period | 8/8/10 → 8/13/10 |
Fingerprint
Keywords
- CeO
- MD and MC simulations
- Mo
- Radiation defects
- TEM
- Xe ion
ASJC Scopus subject areas
- Physics and Astronomy(all)
Cite this
Simulation of ion implantation into nuclear materials and comparison with experiment. / Insepov, Z.; Yun, D.; Ye, B.; Rest, J.; Starikov, S.; Yacout, A. M.
Application of Accelerators in Research and Industry - Twenty-First International Conference, CAARI 2010. Vol. 1336 2011. p. 672-676.Research output: Chapter in Book/Report/Conference proceeding › Conference contribution
}
TY - GEN
T1 - Simulation of ion implantation into nuclear materials and comparison with experiment
AU - Insepov, Z.
AU - Yun, D.
AU - Ye, B.
AU - Rest, J.
AU - Starikov, S.
AU - Yacout, A. M.
PY - 2011
Y1 - 2011
N2 - A new many-body potential is proposed for pure molybdenum that consists of using ab initio and atomistic MD simulation methods verified against existing surface erosion experimental data. Mo is an important material for metallic U-Mo alloys for using them in low-enriched fuels. Several new Xe-Mo potentials were also parameterized by comparing the calculated sputtering yield of a Mo-surface bombarded with Xe ions with experimental data. Calculated results were also compared with defect distributions in CeO2 crystals obtained from experiments by 500 keV Xe implantation at the doses of 1×1017 ions/cm 2 at several temperatures.
AB - A new many-body potential is proposed for pure molybdenum that consists of using ab initio and atomistic MD simulation methods verified against existing surface erosion experimental data. Mo is an important material for metallic U-Mo alloys for using them in low-enriched fuels. Several new Xe-Mo potentials were also parameterized by comparing the calculated sputtering yield of a Mo-surface bombarded with Xe ions with experimental data. Calculated results were also compared with defect distributions in CeO2 crystals obtained from experiments by 500 keV Xe implantation at the doses of 1×1017 ions/cm 2 at several temperatures.
KW - CeO
KW - MD and MC simulations
KW - Mo
KW - Radiation defects
KW - TEM
KW - Xe ion
UR - http://www.scopus.com/inward/record.url?scp=79960133396&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=79960133396&partnerID=8YFLogxK
U2 - 10.1063/1.3586187
DO - 10.1063/1.3586187
M3 - Conference contribution
AN - SCOPUS:79960133396
SN - 9780735408913
VL - 1336
SP - 672
EP - 676
BT - Application of Accelerators in Research and Industry - Twenty-First International Conference, CAARI 2010
ER -