Nuclear Techniques ›› 2017, Vol. 40 ›› Issue (2): 20202-020202.doi: 10.11889/j.0253-3219.2017.hjs.40.020202

• LOW ENERGY ACCELERATOR, RAY AND APPLICATIONS • Previous Articles     Next Articles

Optimizing initial conditions for simulating neutron radiation-induced damage to Zr-based metals

CAI Guangbo, YANG Liang, GUO Guqing   

  1. College of Material Science and Technology, Nanjing University of Aeronautics and Astronautics, Nanjing 211106, China
  • Received:2016-10-17 Revised:2016-11-30 Online:2017-02-10 Published:2017-01-24
  • Supported by:

    Supported by National Natural Science Foundation of China (No.U1332112, No.51471088), the Fundamental Research Funds for the Central Universities (No.NE2015004) and the Priority Academic Program Development (PAPD) of Jiangsu Higher Education Institutions


Background: Molecular dynamic (MD) method has been widely used in simulation of particle radiation-induced micro-structure damage in materials. There is no nuclear database in MD simulation, thus, simplified processing is adopted in some initial conditions, such as primary knock-on atom (PKA) and structural model of the material. Purpose: This study aims to obtain the optimal initial conditions for MD to simulate the particle radiation-induced structural damage. Methods: GEANT4 software was applied for simulating neutron radiating Zr-based metals (Zr, Zr2Cu and Zr2Ni). The PKA spectra excited by incident neutrons were tracked and detected. Thereafter the PKA scattering angel distribution was calculated. Results: It is found that PKA energy in these three metals increases with the neutron energy, and exists a cut off value of dozens or hundreds keV. In addition, it is revealed that the PKA energy spectra in these three metals are very similar. The preferred scattering angles of PKAs were estimated. Conclusion: Damage of Zr-based metals caused by cascaded collision of PKAs with dozens or even hundreds of keV energies is significant for MD simulation. Some simplified structural models are suitable for approximating the radiation damage in alloys (such as Zr-based alloys and Fe-based alloys) via MD simulation, and estimated preferred scattering angles of PKAs is helpful for optimizing the moving direction of a PKA.

Key words: Structural damage, Neutron irradiation, MD, Particle transport, PKA, Nuclear materials

CLC Number: 

  • TL341