Effects of Oxidation on the Nanoscale Mechanisms of Crack Formation in Aluminum
Aluminum is an important engineering material used in a variety of applications. Under ambient conditions, a self‐limiting oxide layer forms on the aluminum surface and protects the underlying metal from further oxidation; this oxidation of aluminum affects its mechanical strength. Accordingly, we c...
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| Veröffentlicht in: | Chemphyschem 2001-01, Vol.2 (1), p.55-59 |
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| creator | Jarvis, Emily A. A. Hayes, Robin L. Carter, Emily A. |
| description | Aluminum is an important engineering material used in a variety of applications. Under ambient conditions, a self‐limiting oxide layer forms on the aluminum surface and protects the underlying metal from further oxidation; this oxidation of aluminum affects its mechanical strength. Accordingly, we consider a simple, atomic‐level model of the effect of oxidation on crack formation by examining how cracks form in aluminum and its fully oxidized stable partner α‐Al2O3; the valence electron density plot of the latter is shown in the picture, in which a 1 Å crack has been introduced. We find that the sharp falloff in electron density at Al2O3 surfaces provides a nanoscale explanation for the brittleness of alumina. Structural relaxation diminishes the acceptability of simple interaction models in macroscale simulations and suggests such relaxation should be accounted for in the future. |
| doi_str_mv | 10.1002/1439-7641(20010119)2:1<55::AID-CPHC55>3.0.CO;2-S |
| format | Article |
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A.</creatorcontrib><creatorcontrib>Hayes, Robin L.</creatorcontrib><creatorcontrib>Carter, Emily A.</creatorcontrib><title>Effects of Oxidation on the Nanoscale Mechanisms of Crack Formation in Aluminum</title><title>Chemphyschem</title><addtitle>ChemPhysChem</addtitle><description>Aluminum is an important engineering material used in a variety of applications. Under ambient conditions, a self‐limiting oxide layer forms on the aluminum surface and protects the underlying metal from further oxidation; this oxidation of aluminum affects its mechanical strength. Accordingly, we consider a simple, atomic‐level model of the effect of oxidation on crack formation by examining how cracks form in aluminum and its fully oxidized stable partner α‐Al2O3; the valence electron density plot of the latter is shown in the picture, in which a 1 Å crack has been introduced. We find that the sharp falloff in electron density at Al2O3 surfaces provides a nanoscale explanation for the brittleness of alumina. Structural relaxation diminishes the acceptability of simple interaction models in macroscale simulations and suggests such relaxation should be accounted for in the future.</description><subject>aluminum</subject><subject>Applied sciences</subject><subject>cracking</subject><subject>density functional calculations</subject><subject>Exact sciences and technology</subject><subject>Fractures</subject><subject>materials science</subject><subject>Mechanical properties and methods of testing. Rheology. Fracture mechanics. Tribology</subject><subject>Metals. Metallurgy</subject><subject>surfaces</subject><issn>1439-4235</issn><issn>1439-7641</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><recordid>eNqVkE1v1DAQhi0EomXhL6AcOJRDlrEdO8lSIa3STyjNSrsIicvI6ziqaT5KnKjtv8dL0uXCBcmSrZnH74weQhIKcwrAPtCIp2EsI3rEAChQmr5nC3osxGKxvDwJs9VFJsQnPod5ln9k4foZOdx_eT69I8bFAXnl3E8ASCCmL8kB4zKVPOGHJD8tS6N7F7RlkD_YQvW2bQJ_-hsTXKumdVpVJvhq9I1qrKv_gFmn9G1w1nb1iNsmWFZDbZuhfk1elKpy5s10z8i3s9NNdhFe5eeX2fIq1DwCEYpEFGDSKE1oEW1jEGxbaMGLWJdApdLGSEVlwgGMTpQopKFCS5bGKUCZlAWfkaMx965rfw3G9Vhbp01Vqca0g0PKReThyGfMyGpEddc615kS7zpbq-4RKeBOM-484c4ZPmlGX0QhEL1mHDUjR8As9521j3w7TR-2tSn2gU9ePfBuAtROYNmpRlv3dzCNWCqZx9Yjdm8r8_gfe_1zraniU8Mx1brePOxTVXeLMuaxwO_X5_g53ohN-mOFX_hvwg2wNA</recordid><startdate>20010119</startdate><enddate>20010119</enddate><creator>Jarvis, Emily A. A.</creator><creator>Hayes, Robin L.</creator><creator>Carter, Emily A.</creator><general>WILEY-VCH Verlag GmbH</general><general>WILEY‐VCH Verlag GmbH</general><general>Wiley</general><scope>BSCLL</scope><scope>IQODW</scope><scope>NPM</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>7X8</scope></search><sort><creationdate>20010119</creationdate><title>Effects of Oxidation on the Nanoscale Mechanisms of Crack Formation in Aluminum</title><author>Jarvis, Emily A. A. ; Hayes, Robin L. ; Carter, Emily A.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c3405-585d0e94981d4b7052bdc53d7cf016acee6a168300ec8a5d6e15c6297900f8fd3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2001</creationdate><topic>aluminum</topic><topic>Applied sciences</topic><topic>cracking</topic><topic>density functional calculations</topic><topic>Exact sciences and technology</topic><topic>Fractures</topic><topic>materials science</topic><topic>Mechanical properties and methods of testing. Rheology. Fracture mechanics. Tribology</topic><topic>Metals. Metallurgy</topic><topic>surfaces</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Jarvis, Emily A. A.</creatorcontrib><creatorcontrib>Hayes, Robin L.</creatorcontrib><creatorcontrib>Carter, Emily A.</creatorcontrib><collection>Istex</collection><collection>Pascal-Francis</collection><collection>PubMed</collection><collection>CrossRef</collection><collection>MEDLINE - Academic</collection><jtitle>Chemphyschem</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Jarvis, Emily A. 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Accordingly, we consider a simple, atomic‐level model of the effect of oxidation on crack formation by examining how cracks form in aluminum and its fully oxidized stable partner α‐Al2O3; the valence electron density plot of the latter is shown in the picture, in which a 1 Å crack has been introduced. We find that the sharp falloff in electron density at Al2O3 surfaces provides a nanoscale explanation for the brittleness of alumina. Structural relaxation diminishes the acceptability of simple interaction models in macroscale simulations and suggests such relaxation should be accounted for in the future.</abstract><cop>Weinheim</cop><pub>WILEY-VCH Verlag GmbH</pub><pmid>23696383</pmid><doi>10.1002/1439-7641(20010119)2:1<55::AID-CPHC55>3.0.CO;2-S</doi><tpages>5</tpages></addata></record> |
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| subjects | aluminum Applied sciences cracking density functional calculations Exact sciences and technology Fractures materials science Mechanical properties and methods of testing. Rheology. Fracture mechanics. Tribology Metals. Metallurgy surfaces |
| title | Effects of Oxidation on the Nanoscale Mechanisms of Crack Formation in Aluminum |
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