Atomistic simulation of the deformation of nanocrystalline palladium: the effect of voids
Atomistic simulations of uniaxial deformation of porous nanocrystalline palladium were performed at room temperature. The porosity was varied from 1% to 3%. The diameter of the pores was varied from 1 to 4 nm. It is found that a significant part of the void volume fraction is lost during sample prep...
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| Veröffentlicht in: | Modelling and simulation in materials science and engineering 2014-03, Vol.22 (2), p.25011-15 |
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| creator | Bachurin, D V Gumbsch, P |
| description | Atomistic simulations of uniaxial deformation of porous nanocrystalline palladium were performed at room temperature. The porosity was varied from 1% to 3%. The diameter of the pores was varied from 1 to 4 nm. It is found that a significant part of the void volume fraction is lost during sample preparation at high temperature. During deformation, the presence of voids does not lead to an earlier onset of dislocation activity compared to the void-free sample. Poisson's ratio is found to be almost insensitive to porosity, while Young's modulus and the stress for the initiation of grain boundary mediated plastic flow moderately decrease with increasing porosity. The total strain for the onset of plastic deformation, however, is unaffected by the porosity. |
| doi_str_mv | 10.1088/0965-0393/22/2/025011 |
| format | Article |
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The porosity was varied from 1% to 3%. The diameter of the pores was varied from 1 to 4 nm. It is found that a significant part of the void volume fraction is lost during sample preparation at high temperature. During deformation, the presence of voids does not lead to an earlier onset of dislocation activity compared to the void-free sample. Poisson's ratio is found to be almost insensitive to porosity, while Young's modulus and the stress for the initiation of grain boundary mediated plastic flow moderately decrease with increasing porosity. 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The total strain for the onset of plastic deformation, however, is unaffected by the porosity.</description><subject>Computer simulation</subject><subject>Deformation</subject><subject>Dislocations</subject><subject>Grain boundaries</subject><subject>mechanical properties</subject><subject>molecular dynamics</subject><subject>nanocrystalline materials</subject><subject>Nanocrystals</subject><subject>Palladium</subject><subject>Porosity</subject><subject>Voids</subject><issn>0965-0393</issn><issn>1361-651X</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNqFkE1LxDAQhoMouK7-BKFHPdTmY5Om3pbFLxC8KOgppGmCWdqmJqmw_97UyuJBcOYwMDzvMO8LwDmCVwhyXsCK0RySihQYF7iAmEKEDsACEYZyRtHrIVjsmWNwEsIWQkg5LhfgbR1dZ0O0Kgu2G1sZreszZ7L4rrNGG-e7_aqXvVN-F6JsW9vrbEhTNnbsrr9pbYxWcQI_nW3CKTgysg367GcuwcvtzfPmPn98unvYrB9zRRiOuaFckarWqKZkarXCpqooS1USxmEDpZQ1gwTXqjGE1YiXENGVog3DRGKyBBfz3cG7j1GHKJIfpdNrvXZjEIiVZbpXMZ5QOqPKuxC8NmLwtpN-JxAUU5RiiklMMQmMBRZzlEmHZp11g9i60ffJ0L-ayz80XeiC_s2JIZn6AhY_g5o</recordid><startdate>20140301</startdate><enddate>20140301</enddate><creator>Bachurin, D V</creator><creator>Gumbsch, P</creator><general>IOP Publishing</general><scope>AAYXX</scope><scope>CITATION</scope><scope>7SC</scope><scope>7SR</scope><scope>7TB</scope><scope>8BQ</scope><scope>8FD</scope><scope>FR3</scope><scope>JG9</scope><scope>JQ2</scope><scope>KR7</scope><scope>L7M</scope><scope>L~C</scope><scope>L~D</scope></search><sort><creationdate>20140301</creationdate><title>Atomistic simulation of the deformation of nanocrystalline palladium: the effect of voids</title><author>Bachurin, D V ; Gumbsch, P</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c362t-f58c39be1b535353c42f995666673680d0aaab6032bcdf36b1870154c5d623a23</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Computer simulation</topic><topic>Deformation</topic><topic>Dislocations</topic><topic>Grain boundaries</topic><topic>mechanical properties</topic><topic>molecular dynamics</topic><topic>nanocrystalline materials</topic><topic>Nanocrystals</topic><topic>Palladium</topic><topic>Porosity</topic><topic>Voids</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Bachurin, D V</creatorcontrib><creatorcontrib>Gumbsch, P</creatorcontrib><collection>CrossRef</collection><collection>Computer and Information Systems Abstracts</collection><collection>Engineered Materials Abstracts</collection><collection>Mechanical & Transportation Engineering Abstracts</collection><collection>METADEX</collection><collection>Technology Research Database</collection><collection>Engineering Research Database</collection><collection>Materials Research Database</collection><collection>ProQuest Computer Science Collection</collection><collection>Civil Engineering Abstracts</collection><collection>Advanced Technologies Database with Aerospace</collection><collection>Computer and Information Systems Abstracts Academic</collection><collection>Computer and Information Systems Abstracts Professional</collection><jtitle>Modelling and simulation in materials science and engineering</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Bachurin, D V</au><au>Gumbsch, P</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Atomistic simulation of the deformation of nanocrystalline palladium: the effect of voids</atitle><jtitle>Modelling and simulation in materials science and engineering</jtitle><stitle>MSMSE</stitle><addtitle>Modelling Simul. Mater. Sci. Eng</addtitle><date>2014-03-01</date><risdate>2014</risdate><volume>22</volume><issue>2</issue><spage>25011</spage><epage>15</epage><pages>25011-15</pages><issn>0965-0393</issn><eissn>1361-651X</eissn><coden>MSMEEU</coden><abstract>Atomistic simulations of uniaxial deformation of porous nanocrystalline palladium were performed at room temperature. The porosity was varied from 1% to 3%. The diameter of the pores was varied from 1 to 4 nm. It is found that a significant part of the void volume fraction is lost during sample preparation at high temperature. During deformation, the presence of voids does not lead to an earlier onset of dislocation activity compared to the void-free sample. Poisson's ratio is found to be almost insensitive to porosity, while Young's modulus and the stress for the initiation of grain boundary mediated plastic flow moderately decrease with increasing porosity. 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| ispartof | Modelling and simulation in materials science and engineering, 2014-03, Vol.22 (2), p.25011-15 |
| issn | 0965-0393 1361-651X |
| language | eng |
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| source | Institute of Physics Journals |
| subjects | Computer simulation Deformation Dislocations Grain boundaries mechanical properties molecular dynamics nanocrystalline materials Nanocrystals Palladium Porosity Voids |
| title | Atomistic simulation of the deformation of nanocrystalline palladium: the effect of voids |
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