Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems

Abstract The size effect on atomic structure of a Cu64Zr36 amorphous system, including zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs) together with bulk sample was investigated by molecular dynamics simulations. We revealed that sample...

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Autores principales:	W. B. Zhang, J. Liu, S. H. Lu, H. Zhang, H. Wang, X. D. Wang, Q. P. Cao, D. X. Zhang, J. Z. Jiang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/2b95ff33d55a4b508e5858b4981e7882
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spelling	oai:doaj.org-article:2b95ff33d55a4b508e5858b4981e78822021-12-02T15:05:54ZSize effect on atomic structure in low-dimensional Cu-Zr amorphous systems10.1038/s41598-017-07708-52045-2322https://doaj.org/article/2b95ff33d55a4b508e5858b4981e78822017-08-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-07708-5https://doaj.org/toc/2045-2322Abstract The size effect on atomic structure of a Cu64Zr36 amorphous system, including zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs) together with bulk sample was investigated by molecular dynamics simulations. We revealed that sample size strongly affects local atomic structure in both Cu64Zr36 SSAPs and SSAFs, which are composed of core and shell (surface) components. Compared with core component, the shell component of SSAPs has lower average coordination number and average bond length, higher degree of ordering, and lower packing density due to the segregation of Cu atoms on the shell of Cu64Zr36 SSAPs. These atomic structure differences in SSAPs with various sizes result in different glass transition temperatures, in which the glass transition temperature for the shell component is found to be 577 K, which is much lower than 910 K for the core component. We further extended the size effect on the structure and glasses transition temperature to Cu64Zr36 SSAFs, and revealed that the T g decreases when SSAFs becomes thinner due to the following factors: different dynamic motion (mean square displacement), different density of core and surface and Cu segregation on the surface of SSAFs. The obtained results here are different from the results for the size effect on atomic structure of nanometer-sized crystalline metallic alloys.W. B. ZhangJ. LiuS. H. LuH. ZhangH. WangX. D. WangQ. P. CaoD. X. ZhangJ. Z. JiangNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-12 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q W. B. Zhang J. Liu S. H. Lu H. Zhang H. Wang X. D. Wang Q. P. Cao D. X. Zhang J. Z. Jiang Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems
description	Abstract The size effect on atomic structure of a Cu64Zr36 amorphous system, including zero-dimensional small-size amorphous particles (SSAPs) and two-dimensional small-size amorphous films (SSAFs) together with bulk sample was investigated by molecular dynamics simulations. We revealed that sample size strongly affects local atomic structure in both Cu64Zr36 SSAPs and SSAFs, which are composed of core and shell (surface) components. Compared with core component, the shell component of SSAPs has lower average coordination number and average bond length, higher degree of ordering, and lower packing density due to the segregation of Cu atoms on the shell of Cu64Zr36 SSAPs. These atomic structure differences in SSAPs with various sizes result in different glass transition temperatures, in which the glass transition temperature for the shell component is found to be 577 K, which is much lower than 910 K for the core component. We further extended the size effect on the structure and glasses transition temperature to Cu64Zr36 SSAFs, and revealed that the T g decreases when SSAFs becomes thinner due to the following factors: different dynamic motion (mean square displacement), different density of core and surface and Cu segregation on the surface of SSAFs. The obtained results here are different from the results for the size effect on atomic structure of nanometer-sized crystalline metallic alloys.
format	article
author	W. B. Zhang J. Liu S. H. Lu H. Zhang H. Wang X. D. Wang Q. P. Cao D. X. Zhang J. Z. Jiang
author_facet	W. B. Zhang J. Liu S. H. Lu H. Zhang H. Wang X. D. Wang Q. P. Cao D. X. Zhang J. Z. Jiang
author_sort	W. B. Zhang
title	Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems
title_short	Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems
title_full	Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems
title_fullStr	Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems
title_full_unstemmed	Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems
title_sort	size effect on atomic structure in low-dimensional cu-zr amorphous systems
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/2b95ff33d55a4b508e5858b4981e7882
work_keys_str_mv	AT wbzhang sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT jliu sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT shlu sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT hzhang sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT hwang sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT xdwang sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT qpcao sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT dxzhang sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems AT jzjiang sizeeffectonatomicstructureinlowdimensionalcuzramorphoussystems
_version_	1718388633778520064

Size effect on atomic structure in low-dimensional Cu-Zr amorphous systems

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