https://doi.org/10.1051/epjconf/202124709021
APPLICATION OF ATHERMAL RECOMBINATION CORRECTED DPA MODEL IN NUCLEAR DATA PROCESSING CODE NECP-ATLAS
Xi’an Jiaotong University No.28, Xianning West Road, Xi’an, Shaanxi, China
Corresponding author. Tel: +86 29 8266 8916; fax: +86 29 8266 8916
yinwen@stu.xjtu.edu.cn
tiejun@xjtu.edu.cn
caolz@mail.xjtu.edu.cn
Published online: 22 February 2021
The Displacement per Atom (DPA) is an important factor used to quantify the irradiation damage of materials. The radiation damage energy production cross section obtained by nuclear data processing code is an essential nuclear data used to calculate the DPA of materials. Nuclear data processing code, such as NJOY, adopts NRT-DPA model to calculate the radiation damage energy production cross section. However, the NRT-DPA model has several well-known limitation. Especially, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-DPA model prediction. To improve the precision accuracy of DPA calculation, the state-of-the-art Athermal Recombination Corrected DPA (ARC-DPA) model is adopted in heat production and radiation damage energy production cross section module of nuclear data processing code NECP-Atlas. ARC-DPA model can be obtained by simply multiplying with the new efficiency function. The parameters in the new efficiency function are material constants that can be determined for a given material from Molecular Dynamics (MD) simulations or experiments. The material constants of some materials are obtained by MD simulations firstly in this paper. Numerical results show that the radiation damage cross section produced by nuclear data processing code NECP-Atlas adopting NRT-DPA model can agree well with the NJOY code. What’s more, the results from NECP-Atlas adopting ARC-DPA model can provide more physically realistic descriptions of primary defect and agree well with the results from MD simulation numerically.
Key words: DPA / radiation damage energy production cross section / ARC-DPA model / NECP-Atlas / molecular dynamics simulation
© The Authors, published by EDP Sciences, 2021
This is an Open Access article distributed under the terms of the Creative Commons Attribution License 4.0, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.
