Atomistic studies of nucleation of He clusters and bubbles in bcc iron
Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with...
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| Veröffentlicht in: | Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms Beam interactions with materials and atoms, 2013-05, Vol.303 (C), p.68-71 |
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| container_title | Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms |
| container_volume | 303 |
| creator | Yang, L. Deng, H.Q. Gao, F. Heinisch, H.L. Kurtz, R.J. Hu, S.Y. Li, Y.L. Zu, X.T. |
| description | Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b=1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372appm, while the He-V cluster–loop complexes with more than one He-V cluster are formed at the He concentration of 2057appm and larger. |
| doi_str_mv | 10.1016/j.nimb.2012.11.025 |
| format | Article |
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(PNNL), Richland, WA (United States)</creatorcontrib><description>Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b=1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372appm, while the He-V cluster–loop complexes with more than one He-V cluster are formed at the He concentration of 2057appm and larger.</description><identifier>ISSN: 0168-583X</identifier><identifier>EISSN: 1872-9584</identifier><identifier>DOI: 10.1016/j.nimb.2012.11.025</identifier><language>eng</language><publisher>United States: Elsevier B.V</publisher><subject>ATOMIC AND MOLECULAR PHYSICS ; Bcc iron ; Body centered cubic lattice ; Bubbles ; Burgers vector ; Clusters ; Dislocation loops ; He bubble ; Iron ; Molecular dynamics ; Nucleation ; Self-interstitial loop ; Simulation</subject><ispartof>Nuclear instruments & methods in physics research. 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(PNNL), Richland, WA (United States)</creatorcontrib><title>Atomistic studies of nucleation of He clusters and bubbles in bcc iron</title><title>Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms</title><description>Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b=1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372appm, while the He-V cluster–loop complexes with more than one He-V cluster are formed at the He concentration of 2057appm and larger.</description><subject>ATOMIC AND MOLECULAR PHYSICS</subject><subject>Bcc iron</subject><subject>Body centered cubic lattice</subject><subject>Bubbles</subject><subject>Burgers vector</subject><subject>Clusters</subject><subject>Dislocation loops</subject><subject>He bubble</subject><subject>Iron</subject><subject>Molecular dynamics</subject><subject>Nucleation</subject><subject>Self-interstitial loop</subject><subject>Simulation</subject><issn>0168-583X</issn><issn>1872-9584</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNp9kEFLwzAYhoMoOKd_wFPx5KU1SZs2BS9jOCcMvCh4C-3XL5jRJTNJBf-9KfNsCIQPnje830PILaMFo6x-2BfWHPqCU8YLxgrKxRlZMNnwvBWyOieLBMlcyPLjklyFsKfpiFIsyGYV3cGEaCALcRoMhszpzE4wYheNs_O0xQzGKUT0IevskPVT348JNDbrATLjnb0mF7obA978vUvyvnl6W2_z3evzy3q1y6GsacxLCSVnlShZ16YCg65bDU1f0UpokFLLXrYNiBY7WadLgWNVM45YDb3WLZZLcnf616XKKoCJCJ_grEWIivGykrRO0P0JOnr3NWGIKm0IOI6dRTcFlVSIpq55M6P8hIJ3IXjU6ujNofM_ilE1m1V7NZtVs1nFmEpmU-jxFMK06bdBPxdBCzgYP_cYnPkv_gti7IDa</recordid><startdate>20130501</startdate><enddate>20130501</enddate><creator>Yang, L.</creator><creator>Deng, H.Q.</creator><creator>Gao, F.</creator><creator>Heinisch, H.L.</creator><creator>Kurtz, R.J.</creator><creator>Hu, S.Y.</creator><creator>Li, Y.L.</creator><creator>Zu, X.T.</creator><general>Elsevier B.V</general><general>Elsevier</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7U5</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope><scope>OTOTI</scope></search><sort><creationdate>20130501</creationdate><title>Atomistic studies of nucleation of He clusters and bubbles in bcc iron</title><author>Yang, L. ; Deng, H.Q. ; Gao, F. ; Heinisch, H.L. ; Kurtz, R.J. ; Hu, S.Y. ; Li, Y.L. ; Zu, X.T.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c360t-38c3214531a9005df69fc7b4045fc88f8b897c59ea86a860c2e4612ee4dbff9e3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2013</creationdate><topic>ATOMIC AND MOLECULAR PHYSICS</topic><topic>Bcc iron</topic><topic>Body centered cubic lattice</topic><topic>Bubbles</topic><topic>Burgers vector</topic><topic>Clusters</topic><topic>Dislocation loops</topic><topic>He bubble</topic><topic>Iron</topic><topic>Molecular dynamics</topic><topic>Nucleation</topic><topic>Self-interstitial loop</topic><topic>Simulation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Yang, L.</creatorcontrib><creatorcontrib>Deng, H.Q.</creatorcontrib><creatorcontrib>Gao, F.</creatorcontrib><creatorcontrib>Heinisch, H.L.</creatorcontrib><creatorcontrib>Kurtz, R.J.</creatorcontrib><creatorcontrib>Hu, S.Y.</creatorcontrib><creatorcontrib>Li, Y.L.</creatorcontrib><creatorcontrib>Zu, X.T.</creatorcontrib><creatorcontrib>Pacific Northwest National Lab. (PNNL), Richland, WA (United States)</creatorcontrib><collection>CrossRef</collection><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>OSTI.GOV</collection><jtitle>Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Yang, L.</au><au>Deng, H.Q.</au><au>Gao, F.</au><au>Heinisch, H.L.</au><au>Kurtz, R.J.</au><au>Hu, S.Y.</au><au>Li, Y.L.</au><au>Zu, X.T.</au><aucorp>Pacific Northwest National Lab. (PNNL), Richland, WA (United States)</aucorp><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Atomistic studies of nucleation of He clusters and bubbles in bcc iron</atitle><jtitle>Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms</jtitle><date>2013-05-01</date><risdate>2013</risdate><volume>303</volume><issue>C</issue><spage>68</spage><epage>71</epage><pages>68-71</pages><issn>0168-583X</issn><eissn>1872-9584</eissn><abstract>Atomistic simulations of the nucleation of He clusters and bubbles in bcc iron at 800K have been carried out using the newly developed Fe–Fe interatomic potential, along with Ackland potential for the Fe–Fe interactions. Microstructure changes were analyzed in detail. We found that a He cluster with four He atoms is able to push out an iron interstitial from the cluster, creating a Frenkel pair. Small He clusters and self-interstitial atom (SIA) can migrate in the matrix, but He-vacancy (He-V) clusters are immobile. Most SIAs form clusters, and only the dislocation loops with a Burgers vector of b=1/2 appear in the simulations. SIA clusters (or loops) are attached to He-V clusters for He implantation up to 1372appm, while the He-V cluster–loop complexes with more than one He-V cluster are formed at the He concentration of 2057appm and larger.</abstract><cop>United States</cop><pub>Elsevier B.V</pub><doi>10.1016/j.nimb.2012.11.025</doi><tpages>4</tpages></addata></record> |
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| ispartof | Nuclear instruments & methods in physics research. Section B, Beam interactions with materials and atoms, 2013-05, Vol.303 (C), p.68-71 |
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| source | Elsevier ScienceDirect Journals |
| subjects | ATOMIC AND MOLECULAR PHYSICS Bcc iron Body centered cubic lattice Bubbles Burgers vector Clusters Dislocation loops He bubble Iron Molecular dynamics Nucleation Self-interstitial loop Simulation |
| title | Atomistic studies of nucleation of He clusters and bubbles in bcc iron |
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