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IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry

文献类型：期刊论文

作者Li, Yong Gang1,2,5; Yang, Yang2; Short, Michael P.2; Ding, Ze Jun3,4; Zeng, Zhi1,5; Li, Ju2
刊名SCIENTIFIC REPORTS
出版日期2015-12-11
卷号5期号:无页码:1-13
DOI10.1038/srep18130
文献子类Article
英文摘要SRIM-like codes have limitations in describing general 3D geometries, for modeling radiation displacements and damage in nanostructured materials. A universal, computationally efficient and massively parallel 3D Monte Carlo code, IM3D, has been developed with excellent parallel scaling performance. IM3D is based on fast indexing of scattering integrals and the SRIM stopping power database, and allows the user a choice of Constructive Solid Geometry (CSG) or Finite Element Triangle Mesh (FETM) method for constructing 3D shapes and microstructures. For 2D films and multilayers, IM3D perfectly reproduces SRIM results, and can be similar to 10(2) times faster in serial execution and >10(4) times faster using parallel computation. For 3D problems, it provides a fast approach for analyzing the spatial distributions of primary displacements and defect generation under ion irradiation. Herein we also provide a detailed discussion of our open-source collision cascade physics engine, revealing the true meaning and limitations of the "Quick Kinchin-Pease" and "Full Cascades" options. The issues of femtosecond to picosecond timescales in defining displacement versus damage, the limitation of the displacements per atom (DPA) unit in quantifying radiation damage (such as inadequacy in quantifying degree of chemical mixing), are discussed.
WOS关键词SCANNING-ELECTRON-MICROSCOPY ; ION-BEAM IRRADIATION ; IN-SITU TEM ; ODS STEELS ; STRUCTURAL STABILITY ; COMPUTER-SIMULATION ; HELIUM IMPLANTATION ; SECONDARY-ELECTRON ; TENSILE PROPERTIES ; GRAINED TUNGSTEN
WOS研究方向Science & Technology - Other Topics
语种英语
WOS记录号WOS:000366183800001
资助机构National Science Foundation of China(11275229 ; National Science Foundation of China(11275229 ; National Science Foundation of China(11275229 ; National Science Foundation of China(11275229 ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Director Grants of CASHIPS ; Director Grants of CASHIPS ; Director Grants of CASHIPS ; Director Grants of CASHIPS ; NSF(DMR-1410636 ; NSF(DMR-1410636 ; NSF(DMR-1410636 ; NSF(DMR-1410636 ; National Natural Science Foundation of China(11274288 ; National Natural Science Foundation of China(11274288 ; National Natural Science Foundation of China(11274288 ; National Natural Science Foundation of China(11274288 ; Ministry of Education of China(20123402110034) ; Ministry of Education of China(20123402110034) ; Ministry of Education of China(20123402110034) ; Ministry of Education of China(20123402110034) ; "111" project(B07033) ; "111" project(B07033) ; "111" project(B07033) ; "111" project(B07033) ; (TG-DMR130038) ; (TG-DMR130038) ; (TG-DMR130038) ; (TG-DMR130038) ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; DMR-1120901) ; DMR-1120901) ; DMR-1120901) ; DMR-1120901) ; 11574289) ; 11574289) ; 11574289) ; 11574289) ; NSAF U1230202) ; NSAF U1230202) ; NSAF U1230202) ; NSAF U1230202) ; National Science Foundation of China(11275229 ; National Science Foundation of China(11275229 ; National Science Foundation of China(11275229 ; National Science Foundation of China(11275229 ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; key project of National Science Foundation of China(11534012) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Special Funds for Major State Basic Research Project of China (973)(2012CB933702) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Hefei Center for Physical Science and Technology(2012FXZY004) ; Director Grants of CASHIPS ; Director Grants of CASHIPS ; Director Grants of CASHIPS ; Director Grants of CASHIPS ; NSF(DMR-1410636 ; NSF(DMR-1410636 ; NSF(DMR-1410636 ; NSF(DMR-1410636 ; National Natural Science Foundation of China(11274288 ; National Natural Science Foundation of China(11274288 ; National Natural Science Foundation of China(11274288 ; National Natural Science Foundation of China(11274288 ; Ministry of Education of China(20123402110034) ; Ministry of Education of China(20123402110034) ; Ministry of Education of China(20123402110034) ; Ministry of Education of China(20123402110034) ; "111" project(B07033) ; "111" project(B07033) ; "111" project(B07033) ; "111" project(B07033) ; (TG-DMR130038) ; (TG-DMR130038) ; (TG-DMR130038) ; (TG-DMR130038) ; 11475215 ; 11475215 ; 11475215 ; 11475215 ; DMR-1120901) ; DMR-1120901) ; DMR-1120901) ; DMR-1120901) ; 11574289) ; 11574289) ; 11574289) ; 11574289) ; NSAF U1230202) ; NSAF U1230202) ; NSAF U1230202) ; NSAF U1230202)
源URL[http://ir.hfcas.ac.cn:8080/handle/334002/30228]  
专题合肥物质科学研究院_中科院固体物理研究所
作者单位1.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, Hefei 230031, Peoples R China
2.MIT, Dept Nucl Sci & Engn, Cambridge, MA 02139 USA
3.Univ Sci & Technol China, Hefei Natl Lab Phys Sci Microscale, Hefei 230026, Peoples R China
4.Univ Sci & Technol China, Dept Phys, Hefei 230026, Peoples R China
5.Univ Sci & Technol China, Hefei 230026, Peoples R China
推荐引用方式
GB/T 7714		 Li, Yong Gang,Yang, Yang,Short, Michael P.,et al. IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry[J]. SCIENTIFIC REPORTS,2015,5(无):1-13.
APA Li, Yong Gang,Yang, Yang,Short, Michael P.,Ding, Ze Jun,Zeng, Zhi,&Li, Ju.(2015).IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry.SCIENTIFIC REPORTS,5(无),1-13.
MLA Li, Yong Gang,et al."IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry".SCIENTIFIC REPORTS 5.无(2015):1-13.

入库方式： OAI收割

来源：合肥物质科学研究院

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