IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry
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....
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| Format: | Article |
| Language: | en_US |
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Nature Publishing Group
2016
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| Online Access: | http://hdl.handle.net/1721.1/100830 https://orcid.org/0000-0002-9216-2482 https://orcid.org/0000-0002-7841-8058 |
| _version_ | 1826196489479651328 |
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| author | Li, Yong Gang Yang, Yang Ding, Ze Jun Zeng, Zhi Li, Ju Short, Michael P |
| author2 | Massachusetts Institute of Technology. Department of Nuclear Science and Engineering |
| author_facet | Massachusetts Institute of Technology. Department of Nuclear Science and Engineering Li, Yong Gang Yang, Yang Ding, Ze Jun Zeng, Zhi Li, Ju Short, Michael P |
| author_sort | Li, Yong Gang |
| collection | MIT |
| description | 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 ∼10[superscript 2] times faster in serial execution and > 10[superscript 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. |
| first_indexed | 2024-09-23T10:27:46Z |
| format | Article |
| id | mit-1721.1/100830 |
| institution | Massachusetts Institute of Technology |
| language | en_US |
| last_indexed | 2024-09-23T10:27:46Z |
| publishDate | 2016 |
| publisher | Nature Publishing Group |
| record_format | dspace |
| spelling | mit-1721.1/1008302023-02-26T02:25:35Z IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry Li, Yong Gang Yang, Yang Ding, Ze Jun Zeng, Zhi Li, Ju Short, Michael P Massachusetts Institute of Technology. Department of Nuclear Science and Engineering Li, Yong Gang Yang, Yang Short, Michael P. Li, Ju 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 ∼10[superscript 2] times faster in serial execution and > 10[superscript 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. National Natural Science Foundation (China) (Grant 11275229) National Natural Science Foundation (China) (Grant 11475215) National Natural Science Foundation (China) (Grant NSAF U1230202) National Natural Science Foundation (China) (Grant 11534012) National Basic Research Program of China (973 Program) (Grant 2012CB933702) Hefei Center for Physical Science and Technology (Grant 2012FXZY004) Chinese Academy of Sciences (Hefei Institutes of Physical Science (CASHIPS) Director Grant) National Science Foundation (U.S.) (DMR-1410636) National Science Foundation (U.S.) (DMR-1120901) 2016-01-14T02:12:48Z 2016-01-14T02:12:48Z 2015-12 2015-08 Article http://purl.org/eprint/type/JournalArticle 2045-2322 http://hdl.handle.net/1721.1/100830 Li, Yong Gang, Yang Yang, Michael P. Short, Ze Jun Ding, Zhi Zeng, and Ju Li. “IM3D: A Parallel Monte Carlo Code for Efficient Simulations of Primary Radiation Displacements and Damage in 3D Geometry.” Scientific Reports 5 (December 11, 2015): 18130. https://orcid.org/0000-0002-9216-2482 https://orcid.org/0000-0002-7841-8058 en_US http://dx.doi.org/10.1038/srep18130 Scientific Reports Creative Commons Attribution http://creativecommons.org/licenses/by/4.0/ application/pdf Nature Publishing Group Nature Publishing Group |
| spellingShingle | Li, Yong Gang Yang, Yang Ding, Ze Jun Zeng, Zhi Li, Ju Short, Michael P IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry |
| title | IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry |
| title_full | IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry |
| title_fullStr | IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry |
| title_full_unstemmed | IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry |
| title_short | IM3D: A parallel Monte Carlo code for efficient simulations of primary radiation displacements and damage in 3D geometry |
| title_sort | im3d a parallel monte carlo code for efficient simulations of primary radiation displacements and damage in 3d geometry |
| url | http://hdl.handle.net/1721.1/100830 https://orcid.org/0000-0002-9216-2482 https://orcid.org/0000-0002-7841-8058 |
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