鈦單晶納米柱拉壓不對(duì)稱(chēng)性的分子動(dòng)力學(xué)模擬

doi:10.12442/j.issn.1002-185X.20180057

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鈦單晶納米柱拉壓不對(duì)稱(chēng)性的分子動(dòng)力學(xué)模擬
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                        10.12442/j.issn.1002-185X.20180057
                    
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作者單位:1.合肥工業(yè)大學(xué)材料科學(xué)與工程學(xué)院;2.合肥工業(yè)大學(xué)智能制造技術(shù)研究院
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基金項(xiàng)目:國(guó)家自然科學(xué)基金項(xiàng)目(51675154),

Study on the Unsymmetry of Tension and Compression in Titanium Single-crystal Nanopillars Based on Molecular Dynamics Simulation

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1.School of Materials and Science and Engineering,Hefei University of Technology;2.Intelligent Manufacturing Institute,Hefei University of Technology

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摘要:

本文基于分子動(dòng)力學(xué)模擬,通過(guò)研究鈦單晶納米柱在拉伸和壓縮下的力學(xué)響應(yīng)特征及晶體結(jié)構(gòu)演化行為,揭示其塑性變形機(jī)制。結(jié)果表明沿[0001]晶向拉伸條件下主要塑性變形機(jī)制為伴生的{101 ?2}孿晶和基面層錯(cuò)；而沿[0001]晶向壓縮條件下,基面位錯(cuò)作為優(yōu)先形核的缺陷參與到塑性變形過(guò)程,隨后錐面位錯(cuò)出現(xiàn)并協(xié)調(diào)了軸向和橫向變形,壓縮條件下無(wú)孿晶產(chǎn)生。拉伸模擬過(guò)程中觀察到一種有別于傳統(tǒng)孿生的晶體再取向現(xiàn)象,其孿晶與基體間呈現(xiàn)基面/柱面對(duì)應(yīng)關(guān)系。

Abstract:

The plastic deformation mechanisms of the titanium single-crystal nanopillars under both tension and compression were studied with the molecular dynamics simulation method. In this work, the research focuses on two aspects around the microscopic deformation mechanisms: stress-strain analysis and the evolution of atomistic configuration. The results indicate that the {101 ?2} twinning and stacking fault dominate the tension deformation along the [0001] direction. The slip is the principal factor leading to the initial yielding and then the pyramidal slip occurs to coordinate both vertical and horizontal strains for the compression condition along the [0001] direction. Additionally, no twinning is found in compression. Besides the conventional {101 ?2} plane, semi-coherent basal-prismatic interfaces between parent and reoriented crystal were also observed under tensile loading.

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李萍,儲(chǔ)潛,嚴(yán)思梁,紀(jì)小虎,薛克敏.鈦單晶納米柱拉壓不對(duì)稱(chēng)性的分子動(dòng)力學(xué)模擬[J].稀有金屬材料與工程,2019,48(6):1835~1840.[Li Ping, Chu Qian, Yan Siliang, Ji Xiaohu, Xue Kemin. Study on the Unsymmetry of Tension and Compression in Titanium Single-crystal Nanopillars Based on Molecular Dynamics Simulation[J]. Rare Metal Materials and Engineering,2019,48(6):1835~1840.]
DOI：10.12442/j. issn.1002-185X.20180057

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收稿日期:2018-01-16
最后修改日期:2018-01-28
錄用日期:2018-02-09
在線發(fā)布日期: 2019-07-30
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