Molecular Dynamics Simulations of the Orientation Effect on the Initial Plastic Deformation of Magnesium Single Crystals
Molecular dynamics simulation is employed to study the tension and compression deformation behaviors of magnesium single crystals with different orientations.The angle between the loading axis and the basal direction ranges from 0° to 90°.The simulation results show that the initial defects usually...
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| Veröffentlicht in: | Acta metallurgica sinica : English letters 2016-03, Vol.29 (3), p.301-312 |
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| creator | Zu, Qun Guo, Ya-Fang Xu, Shuang Tang, Xiao-Zhi Wang, Yue-Sheng |
| description | Molecular dynamics simulation is employed to study the tension and compression deformation behaviors of magnesium single crystals with different orientations.The angle between the loading axis and the basal direction ranges from 0° to 90°.The simulation results show that the initial defects usually nucleate at free surfaces,but the initial plastic deformation and the subsequent microstructural evolutions are various due to different loading directions.The tension simulations exhibit the deformation mechanisms of twinning,slip,crystallographic reorientation and basal/prismatic transformation.The twinning,crystallographic reorientation and basal/prismatic transformation can only appear in the crystal model loaded along or near the a-axis or c-axis.For the compression simulations,the basal,prismatic and pyramidal slips are responsible for the initial plasticity,and no twinning is observed.Moreover,the plastic deformation models affect the yield strengths for the samples with different orientations.The maximum yield stresses for the samples loaded along the c-axis or a-axis are much higher than those loaded in other directions. |
| doi_str_mv | 10.1007/s40195-015-0353-2 |
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Lett.)</addtitle><addtitle>Acta Metallurgica Sinica（English Letters）</addtitle><description>Molecular dynamics simulation is employed to study the tension and compression deformation behaviors of magnesium single crystals with different orientations.The angle between the loading axis and the basal direction ranges from 0° to 90°.The simulation results show that the initial defects usually nucleate at free surfaces,but the initial plastic deformation and the subsequent microstructural evolutions are various due to different loading directions.The tension simulations exhibit the deformation mechanisms of twinning,slip,crystallographic reorientation and basal/prismatic transformation.The twinning,crystallographic reorientation and basal/prismatic transformation can only appear in the crystal model loaded along or near the a-axis or c-axis.For the compression simulations,the basal,prismatic and pyramidal slips are responsible for the initial plasticity,and no twinning is observed.Moreover,the plastic deformation models affect the yield strengths for the samples with different orientations.The maximum yield stresses for the samples loaded along the c-axis or a-axis are much higher than those loaded in other directions.</description><subject>Asymmetry</subject><subject>Characterization and Evaluation of Materials</subject><subject>Chemistry and Materials Science</subject><subject>Corrosion and Coatings</subject><subject>Crystal defects</subject><subject>Crystallography</subject><subject>Deformation</subject><subject>Deformation effects</subject><subject>Deformation mechanisms</subject><subject>Experiments</subject><subject>Free surfaces</subject><subject>Magnesium</subject><subject>Materials Science</subject><subject>Mechanical twinning</subject><subject>Metallic Materials</subject><subject>Molecular dynamics</subject><subject>Nanotechnology</subject><subject>Organometallic Chemistry</subject><subject>Orientation effects</subject><subject>Plastic deformation</subject><subject>Sample size</subject><subject>Simulation</subject><subject>Single crystals</subject><subject>Spectroscopy/Spectrometry</subject><subject>Temperature</subject><subject>Tribology</subject><subject>分子动力学模拟</subject><subject>加载方向</subject><subject>单晶</subject><subject>取向效应</subject><subject>变形行为</subject><subject>塑性变形</subject><subject>微观结构演化</subject><subject>镁</subject><issn>1006-7191</issn><issn>2194-1289</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2016</creationdate><recordtype>article</recordtype><sourceid>BENPR</sourceid><recordid>eNp9kEtLAzEUhYMoWKs_wF3Q9ejcPGYmS6mvgqWCug6ZadJGZjJtkoL996ZO0Z2LcJOb850DB6FLyG8gz8vbwHIQPMshHcppRo7QiIBgGZBKHKNREhVZCQJO0VkIn-lFGC9H6GvWt7rZtsrj-51TnW0CfrNdWkTbu4B7g-NK47m32sWfHX4wRjcRp9v-Z-pstKrFr60K0Tb4Xpved4MywTO1dDrYbZdc3bLVeOJ3Iao2nKMTk4a-OMwx-nh8eJ88Zy_zp-nk7iVrGCcxKxa8BqIVgOYFA0NZZWpT0cbwmtZUCDAVlIKXUNe1EKJmuVoAL5pEEcEMHaPrwXft-81Whyg_-613KVISQQkvi5LwpIJB1fg-BK-NXHvbKb-TkMt9wXIoWKaC5b5gSRJDBiYkrVtq_-f8H3R1CFr1brlJ3G9SUVSMAwNGvwEI_Yo_</recordid><startdate>20160301</startdate><enddate>20160301</enddate><creator>Zu, Qun</creator><creator>Guo, Ya-Fang</creator><creator>Xu, Shuang</creator><creator>Tang, Xiao-Zhi</creator><creator>Wang, Yue-Sheng</creator><general>The Chinese Society for Metals</general><general>Springer Nature B.V</general><scope>2RA</scope><scope>92L</scope><scope>CQIGP</scope><scope>W92</scope><scope>~WA</scope><scope>AAYXX</scope><scope>CITATION</scope><scope>8FE</scope><scope>8FG</scope><scope>ABJCF</scope><scope>AFKRA</scope><scope>BENPR</scope><scope>BGLVJ</scope><scope>CCPQU</scope><scope>D1I</scope><scope>DWQXO</scope><scope>HCIFZ</scope><scope>KB.</scope><scope>PDBOC</scope><scope>PQEST</scope><scope>PQQKQ</scope><scope>PQUKI</scope></search><sort><creationdate>20160301</creationdate><title>Molecular Dynamics Simulations of the Orientation Effect on the Initial Plastic Deformation of Magnesium Single Crystals</title><author>Zu, Qun ; 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| subjects | Asymmetry Characterization and Evaluation of Materials Chemistry and Materials Science Corrosion and Coatings Crystal defects Crystallography Deformation Deformation effects Deformation mechanisms Experiments Free surfaces Magnesium Materials Science Mechanical twinning Metallic Materials Molecular dynamics Nanotechnology Organometallic Chemistry Orientation effects Plastic deformation Sample size Simulation Single crystals Spectroscopy/Spectrometry Temperature Tribology 分子动力学模拟 加载方向 单晶 取向效应 变形行为 塑性变形 微观结构演化 镁 |
| title | Molecular Dynamics Simulations of the Orientation Effect on the Initial Plastic Deformation of Magnesium Single Crystals |
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