On the calculation of atomic displacements using damage energy

被引：33

作者：

Chen, Shengli ^{[1
,2
]}

Bernard, David ^{[1
]}

机构：

[1] DEN DER SPRC LEPh, Cadarache, CEA, F-13108 St Paul Les Durance, France

[2] Univ Grenoble Alpes, I MEP2, F-38402 St Martin Dheres, France

来源：

RESULTS IN PHYSICS | 2020年 / 16卷

关键词：

Atomic displacement; Damage energy; SRIM; Iradina; Full Cascade simulation; Quick Calculation; NEUTRON-IRRADIATION DAMAGE; COMPUTER-SIMULATION; RADIATION; CASCADES; SOLIDS; MODEL;

D O I：

10.1016/j.rinp.2019.102835

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

The present work investigates the discrepancy between the numbers of atomic displacements from the direct computation and the damage energy-based calculation in Full Cascade (FC) simulation of SRIM-like codes. A new formula of atomic displacements is proposed to correlate the atomic displacements and damage energy. The efficiency of displacement increases with ion energy below keV owing to the increase of residual energy transfer efficiency. In general, the number of atomic displacements is proportional to the damage energy for incident ion energy above keV and about 2 times the value deduced from the modified Kinchin-Pease formula. The linear relationship between atomic displacement and damage energy should also be valid for neutron-induced irradiation damage in operating nuclear reactors due to high neutron energy. Based on the proposed formula, the ratio of damage between Quick Calculation (QC) and FC is then deduced with a unique parameter correlating the number of vacancies and damage energy. Using the approximate value 0.86 from binary collision approximation to correct atomic scattering, the reference value of FC/QC is (FC/QC)(0) = 2.15. It is observed that FC/QC's of total atomic vacancies are well included in [0.9, 1.2]x(FC/QC)(0).

引用

页数：11

共 35 条

[1]

[Anonymous], 1996, E52196 ASTM ASTM INT

[2]

[Anonymous], NEANSCDOC20159

[3]

Ardekani Seyed Fazel Ghazi, 2017, Nuclear Energy and Technology, V3, P73, DOI 10.1016/j.nucet.2017.04.001

[4]

Becquart C.S., 2018, Handbook of Mechanics of Materials, P1, DOI [10.1007/978-981-10-6855-321-1, DOI 10.1007/978-981-10-6855-321-1]

[5] Ion beam irradiation of nanostructures - A 3D Monte Carlo simulation code [J].

Borschel, C. ;

Ronning, C. .

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2011, 269 (19) :2133-2138

[6]

Bratchenko MI, 2013, PROBL ATOM SCI TECH, P11

[7] Radial distributions of power and fuel temperature in annular U3Si2 fuel with FeCrAl cladding [J].

Chen, Shengli ;

Ge, Yulin ;

Zhong, Yao ;

Yuan, Cenxi .

ANNALS OF NUCLEAR ENERGY, 2020, 135

[8] Attenuation of atomic displacement damage in the heavy reflector of the PERLE experiment and application to EPR [J].

Chen, Shengli ;

Bernard, David .

NUCLEAR ENGINEERING AND DESIGN, 2019, 353

[9] Calculation and verification of neutron irradiation damage with differential cross sections [J].

Chen, Shengli ;

Bernard, David ;

Tamagno, Pierre ;

Tommasi, Jean ;

Bourganel, Stephane ;

Noguere, Gilles ;

Jean, Cyrille De Saint .

NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS, 2019, 456 :120-132

[10] Relativistic effect on two-body reaction inducing atomic displacement [J].

Chen, Shengli ;

Bernard, David .

JOURNAL OF NUCLEAR MATERIALS, 2019, 522 :236-245

← 1 2 3 4 →