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Local and bulk melting of Cu at grain boundaries

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Title: Local and bulk melting of Cu at grain boundaries
Authors: Han, Li-Bo1, An, Qi1, Fu, Rong-Shan1, Zheng, Lianqing2, Luo, Sheng-Nian3 sluo@lanl.gov
Source: Physica B. Jan2010, Vol. 405 Issue 2, p748-753. 6p.
Subjects: Crystal grain boundaries, Copper, Fusion (Phase transformation), Molecular dynamics, Simulation methods & models, Symmetry (Physics), Temperature effect, Metal crystals
Abstract: Abstract: We investigate grain boundary (GB) melting using molecular dynamics simulations on face-centered-cubic Cu bicrystals with symmetric tilt GBs. Two representative types of GBs are explored: (low GB energy) and (high GB energy). The temperature and temporal evolutions of the Cu bicrystals under stepped heating are characterized in terms of order parameters and diffusion coefficients, as well as the nucleation and growth of melt. Within the GB region, continuous local melting precedes discontinuous bulk melting, while continuous solid state disordering may precede local melting. Premelting may occur for local melting but not for bulk melting. For , premelting of the GB region is negligible, and local melting occurs near the thermodynamic melting temperature. The GB region as a whole is superheated by about 13% before its bulk melting. In the case of , considerable premelting is observed for local melting, while the bulk melting occurs with negligible superheating. The exact melting behavior of a general GB depends on the GB energy, but is likely bracketed within these two cases. [Copyright &y& Elsevier]
Copyright of Physica B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
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DbLabel: Engineering Source
An: 45636272
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PubTypeId: academicJournal
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  Data: Local and bulk melting of Cu at grain boundaries
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  Data: <searchLink fieldCode="AR" term="%22Han%2C+Li-Bo%22">Han, Li-Bo</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22An%2C+Qi%22">An, Qi</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Fu%2C+Rong-Shan%22">Fu, Rong-Shan</searchLink><relatesTo>1</relatesTo><br /><searchLink fieldCode="AR" term="%22Zheng%2C+Lianqing%22">Zheng, Lianqing</searchLink><relatesTo>2</relatesTo><br /><searchLink fieldCode="AR" term="%22Luo%2C+Sheng-Nian%22">Luo, Sheng-Nian</searchLink><relatesTo>3</relatesTo><i> sluo@lanl.gov</i>
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  Data: <searchLink fieldCode="JN" term="%22Physica+B%22">Physica B</searchLink>. Jan2010, Vol. 405 Issue 2, p748-753. 6p.
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  Data: <searchLink fieldCode="DE" term="%22Crystal+grain+boundaries%22">Crystal grain boundaries</searchLink><br /><searchLink fieldCode="DE" term="%22Copper%22">Copper</searchLink><br /><searchLink fieldCode="DE" term="%22Fusion+%28Phase+transformation%29%22">Fusion (Phase transformation)</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+dynamics%22">Molecular dynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Simulation+methods+%26+models%22">Simulation methods & models</searchLink><br /><searchLink fieldCode="DE" term="%22Symmetry+%28Physics%29%22">Symmetry (Physics)</searchLink><br /><searchLink fieldCode="DE" term="%22Temperature+effect%22">Temperature effect</searchLink><br /><searchLink fieldCode="DE" term="%22Metal+crystals%22">Metal crystals</searchLink>
– Name: Abstract
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  Data: Abstract: We investigate grain boundary (GB) melting using molecular dynamics simulations on face-centered-cubic Cu bicrystals with symmetric tilt GBs. Two representative types of GBs are explored: (low GB energy) and (high GB energy). The temperature and temporal evolutions of the Cu bicrystals under stepped heating are characterized in terms of order parameters and diffusion coefficients, as well as the nucleation and growth of melt. Within the GB region, continuous local melting precedes discontinuous bulk melting, while continuous solid state disordering may precede local melting. Premelting may occur for local melting but not for bulk melting. For , premelting of the GB region is negligible, and local melting occurs near the thermodynamic melting temperature. The GB region as a whole is superheated by about 13% before its bulk melting. In the case of , considerable premelting is observed for local melting, while the bulk melting occurs with negligible superheating. The exact melting behavior of a general GB depends on the GB energy, but is likely bracketed within these two cases. [Copyright &y& Elsevier]
– Name: AbstractSuppliedCopyright
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  Data: <i>Copyright of Physica B is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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        Value: 10.1016/j.physb.2009.09.099
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        Text: English
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        Type: general
      – SubjectFull: Copper
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      – SubjectFull: Fusion (Phase transformation)
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      – SubjectFull: Molecular dynamics
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      – SubjectFull: Symmetry (Physics)
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      – SubjectFull: Temperature effect
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      – SubjectFull: Metal crystals
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      – TitleFull: Local and bulk melting of Cu at grain boundaries
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            NameFull: Han, Li-Bo
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            NameFull: Fu, Rong-Shan
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            NameFull: Zheng, Lianqing
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              Text: Jan2010
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              Y: 2010
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