单元素靶粒子位移损伤计算方法及有效模式分析

李欣; 赵强; 郝建红; 董志伟; 范杰清; 张芳

doi:10.11884/HPLPB202032.200051

单元素靶粒子位移损伤计算方法及有效模式分析

doi: 10.11884/HPLPB202032.200051

李欣^1,,
赵强^2, ,,
郝建红¹,
董志伟²,
范杰清¹,
张芳²

1.
华北电力大学电气与电子工程学院，北京 102206
2.
北京应用物理与计算数学研究所，北京 100094

基金项目: 国家自然科学基金项目（U1730247，11571047，61372050）

详细信息

作者简介:
李欣（1994—），女，硕士研究生，从事粒子束效应研究；lx118@ncepu.edu.cn

通讯作者:
赵强（1975—），男，博士，副研究员，从事粒子束靶互作用物理机理及应用研究；zhaoq@iapcm.ac.cn

中图分类号: O46
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出版历程
- 收稿日期: 2020-02-29
- 修回日期: 2020-05-06
- 刊出日期: 2020-08-13

Calculation method and modes of radiation damage for single element target

1.
School of Electrical and Electronic Engineering, North China Electric Power University, Beijing 102206, China
2.
Institute of Applied Physics and Computational Mathematics, Beijing 100094, China

摘要

摘要: 通过SRIM程序的快速损伤计算与全级联计算两种常用模式，对单元素靶材料进行粒子辐照模拟计算，分别利用基于损伤能量间接计算移位数的NRT位移模型方法和直接通过输出文件读取的方法获得移位数，并对数据进行相应的处理及分析对比，结果表明：对于单元素靶来说，在SRIM快速损伤和全级联两种计算模式下，利用NRT位移模型数值计算得到的移位数基本一致，都可以用于进一步计算得到可靠的位移损伤剂量（dpa）；而通过SRIM两种模式下的输出文件数据直接获得的移位数则有两倍左右的差异，要想得到相对可靠的dpa相关参数，需要根据不同辐照情况选取合适的计算模式。
- 辐照损伤 /
- 移位 /
- 损伤能 /
- NRT模型 /
- 快速损伤 /
- 全级联
Abstract: The ion irradiation will cause different degrees of radiation damage to the target material. One of the important physical parameters to evaluate the radiation damage is dpa, that is, the displacements per atom. The Monte Carlo method based SRIM simulation program, which describes the collision and energy loss between ions and the target, is widely used to calculate many parameters related to particle beam irradiation. The number of atomic shifts per unit depth per incident particle can also be calculated as an important parameter in dpa. In this paper, the single element target material is simulated by two common models of SRIM program. The NRT mathematical model based on damage energy is used to calculate the number of displacements indirectly and the output file is used to get the displacements number directly. The results show that for the single element target, the displacements calculated by the mathematical model are basically the same under the two modes of SRIM Quick damage and SRIM Full cascade, which can be used to calculate the dpa reliably. The displacements obtained directly from the output file of the two modes have about two-fold difference. To get the reliable dpa parameters, it is necessary to select the appropriate calculation mode according to different irradiations.
- radiation damage /
- displacement /
- damage energy /
- NRT model /
- quick damage /
- full cascade

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图 1 50 keV，500 keV和 5 MeV He辐照Si产生的空位分布

Figure 1. Distributions of vacancies for 50 keV，500 keV and 5 MeV He in Si

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表 1 50 keV粒子辐照时，由NRT模型计算得到的移位数 $\nu$

Table 1. Number of vacancies calculated by the NRT model at 50 keV ion irradiation

incident ion	target	${T_{{\rm{dam}}}}$ /eV		${\nu _{{\rm{NRT}}}}$		ratio ${\nu _{{\rm{NRT(F - C)}}}}/{\nu _{{\rm{NRT(K - P)}}}}$
incident ion	target	K-P	F-C	K-P	F-C
proton	Si	625	550	7.1	6.3	0.88
proton	Fe	955	955	9.6	9.6	1.00
Fe	Si	32 660	29 135	373.3	333.0	0.89
Fe	Fe	35 165	37 130	351.7	371.3	1.06
Au	Si	33 490	30 180	382.7	344.9	0.90
Au	Fe	35 805	37 545	358.1	375.5	1.05

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表 2 500 keV粒子辐照时，由NRT模型计算得到的移位数 $\nu$

Table 2. Number of vacancies calculated by the NRT model at 500 keV ion irradiation

incident ion	target	${T_{{\rm{dam}}}}$ /eV		${\nu _{{\rm{NRT}}}}$		ratio ${\nu _{{\rm{NRT(F - C)}}}}/{\nu _{{\rm{NRT(K - P)}}}}$
incident ion	target	K-P	F-C	K-P	F-C
proton	Si	1 150	1 000	13.1	11.4	0.87
proton	Fe	1 550	1 550	15.5	15.5	1.00
Fe	Si	212 850	181 000	2 432.6	2 068.6	0.85
Fe	Fe	258 050	281 400	2 580.5	2 814.0	1.09
Au	Si	258 400	218 250	2 953.1	2 494.3	0.84
Au	Fe	298 850	326 350	2 988.5	3 263.5	1.09

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表 3 5 MeV粒子辐照时，由NRT模型计算得到的移位数 $\nu$

Table 3. Number of vacancies calculated by the NRT model at 5 MeV ion irradiation

incident ion	target	${T_{{\rm{dam}}}}$ /eV		${\nu _{{\rm{NRT}}}}$		ratio ${\nu _{{\rm{NRT(F - C)}}}}/{\nu _{{\rm{NRT(K - P)}}}}$
incident ion	target	K-P	F-C	K-P	F-C
proton	Si	3 500	3 000	40	34.3	0.86
proton	Fe	4 000	4 000	40	40	1.00
Fe	Si	578 000	485 500	6 605.7	5 548.6	0.84
Fe	Fe	799 000	890 000	7 990	8 900	1.11
Au	Si	1 388 000	115 000	15 862.9	12 743	0.81
Au	Fe	1 836 000	2 065 000	18 360	20 650	1.12

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表 4 50 keV粒子辐照时，由SRIM计算得到的移位数 $\nu$

Table 4. Number of vacancies from output of SRIM for 50 keV ion irradiation

incident ion	target	number of vacancies from “vacancy.txt”		ratio
incident ion	target	${\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{F - C}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{K - P}}}}/{\nu _{{\rm{NRT}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{NRT}}}}$
proton	Si	3.6	5.3	1.47	0.50	0.84
proton	Fe	4.1	7.7	1.88	0.43	0.81
Fe	Si	368	516.4	1.40	0.99	1.55
Fe	Fe	347.8	711.7	2.05	0.99	1.92
Au	Si	377.9	546.4	1.45	0.99	1.58
Au	Fe	355.1	747.4	2.10	0.99	1.99

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表 5 500 keV粒子辐照时，由SRIM计算得到的移位数 $\nu$

Table 5. Number of vacancies from output of SRIM for 500 keV ion irradiation

incident ion	target	number of vacancies from “vacancy.txt”		ratio
incident ion	target	${\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{F - C}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{K - P}}}}/{\nu _{{\rm{NRT}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{NRT}}}}$
proton	Si	7.5	11.1	1.48	0.57	0.97
proton	Fe	7.7	14.9	1.94	0.50	0.96
Fe	Si	2 403.9	3 152.9	1.31	0.99	1.52
Fe	Fe	2 559.5	5 230.2	2.04	0.99	1.86
Au	Si	2 936.4	3 816.8	1.30	0.99	1.53
Au	Fe	2 978.7	6 101.8	2.05	1.00	1.87

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表 6 5 MeV粒子辐照时，由SRIM计算得到的移位数 $\nu$

Table 6. Number of vacancies from output of SRIM for 5 MeV ion irradiation

incident ion	target	number of vacancies from “vacancy.txt”		ratio
incident ion	target	${\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{F - C}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{K - P}}}}/{\nu _{{\rm{NRT}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{NRT}}}}$
proton	Si	21.9	32.1	1.47	0.55	0.94
proton	Fe	21.8	43.2	1.98	0.55	1.08
Fe	Si	6 464.6	5 548.6	1.29	0.98	1.50
Fe	Fe	7 863.3	16 315.4	2.07	0.98	1.83
Au	Si	15 771.3	19 429.1	1.23	0.99	1.52
Au	Fe	18 300.2	38 272	2.09	1.00	1.85

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表 7 He、Li粒子辐照Si，不同方法得到的移位数对比

Table 7. Number of vacancies from different tests for He、Li in Si

incident ion and energy（keV）	${\nu _{{\rm{NRT}}}}$ from Eq.（2）		number of displaced atoms from "vacancy.txt"		ratio
incident ion and energy（keV）	K-P	F-C	${\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{F - C}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{K - P}}}}$	${\nu _{{\rm{K - P}}}}/{\nu _{{\rm{NRT}}}}$	${\nu _{{\rm{F - C}}}}/{\nu _{{\rm{NRT}}}}$
He，50	58.9	55.1	45.6	69.4	1.52	0.77	1.26
He，500	85.7	79.4	66	98.7	1.50	0.77	1.24
He，5 000	120.0	114.3	91.7	137.3	1.50	0.76	1.20
Li，50	109.0	101.8	94.7	141	1.49	0.87	1.38
Li，500	189.1	174.9	161.3	236.7	1.47	0.85	1.35
Li，5 000	257.1	234.3	212.2	305.7	1.44	0.83	1.30

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