{"title":"不同晶体取向铜纳米线中鲍辛格效应的分子动力学模拟","authors":"S. Kazanç, Canan Aksu Canbay","doi":"10.55525/tjst.1358465","DOIUrl":null,"url":null,"abstract":"In this study, the Bauschringer Effect (BE) resulting from tension-compression deformation applied to nanowires obtained by placing Cu atoms in , and highly symmetric crystallographic directions was investigated using the Molecular Dynamics (MD) simulation method. The forces between atoms were determined from the gradient of the Embedded Atom Method (EAM) potential function, which includes many-body interactions. It was determined that there is an asymmetry between the stress-strain curves obtained as a result of the tension and compression deformation process applied to the model system. From this asymmetry, it was determined that the yield stress obtained in the drawing process for nanowire with crystallographic orientation was greater than the yield strain obtained as a result of the compression process. In contrast, the opposite was found for nanowires with crystallographic orientation and . In addition, after the yield strain value is exceeded as a result of the drawing process applied to the model nanowire system, compression deformation process was applied at different pre-strain values. The existence of the Bauschinger Effect (BE), which is expressed as the yield strength value as a result of forward loading corresponding to the tension operation, is smaller than the yield value obtained as a result of the compression process in which the loading is removed, was determined. To clarify the effect of BE on Cu nanowires with different crystallographic orientations, Bauschinger Stress parameter (BSP) and Bauschinger Parameter (BP) values were calculated.","PeriodicalId":516893,"journal":{"name":"Turkish Journal of Science and Technology","volume":"52 15","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-03-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular Dynamics Simulation of Bauschinger Effect in Cu Nanowire with Different Crystallographic Orientation\",\"authors\":\"S. Kazanç, Canan Aksu Canbay\",\"doi\":\"10.55525/tjst.1358465\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this study, the Bauschringer Effect (BE) resulting from tension-compression deformation applied to nanowires obtained by placing Cu atoms in , and highly symmetric crystallographic directions was investigated using the Molecular Dynamics (MD) simulation method. The forces between atoms were determined from the gradient of the Embedded Atom Method (EAM) potential function, which includes many-body interactions. It was determined that there is an asymmetry between the stress-strain curves obtained as a result of the tension and compression deformation process applied to the model system. From this asymmetry, it was determined that the yield stress obtained in the drawing process for nanowire with crystallographic orientation was greater than the yield strain obtained as a result of the compression process. In contrast, the opposite was found for nanowires with crystallographic orientation and . In addition, after the yield strain value is exceeded as a result of the drawing process applied to the model nanowire system, compression deformation process was applied at different pre-strain values. The existence of the Bauschinger Effect (BE), which is expressed as the yield strength value as a result of forward loading corresponding to the tension operation, is smaller than the yield value obtained as a result of the compression process in which the loading is removed, was determined. To clarify the effect of BE on Cu nanowires with different crystallographic orientations, Bauschinger Stress parameter (BSP) and Bauschinger Parameter (BP) values were calculated.\",\"PeriodicalId\":516893,\"journal\":{\"name\":\"Turkish Journal of Science and Technology\",\"volume\":\"52 15\",\"pages\":\"\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2024-03-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Turkish Journal of Science and Technology\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.55525/tjst.1358465\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Turkish Journal of Science and Technology","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.55525/tjst.1358465","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
摘要
本研究采用分子动力学(MD)模拟方法,研究了通过将铜原子置于Ⅴ和高度对称的晶体学方向上而获得的纳米线所产生的拉伸-压缩变形所导致的鲍施林格效应(BE)。原子间的作用力由嵌入式原子法(EAM)势函数的梯度确定,其中包括多体相互作用。结果表明,模型系统在拉伸和压缩变形过程中获得的应力-应变曲线不对称。根据这种不对称性,可以确定具有晶体取向的纳米线在拉伸过程中获得的屈服应力大于压缩过程中获得的屈服应变。此外,在对模型纳米线系统进行拉伸过程而超过屈服应变值后,以不同的预应变值进行压缩变形过程。鲍辛格效应(Bauschinger Effect,BE)是指在拉伸过程中向前加载时的屈服强度值小于在压缩过程中去除加载后的屈服强度值。为了明确 BE 对不同晶体取向的铜纳米线的影响,计算了鲍辛格应力参数 (BSP) 和鲍辛格参数 (BP) 值。
Molecular Dynamics Simulation of Bauschinger Effect in Cu Nanowire with Different Crystallographic Orientation
In this study, the Bauschringer Effect (BE) resulting from tension-compression deformation applied to nanowires obtained by placing Cu atoms in , and highly symmetric crystallographic directions was investigated using the Molecular Dynamics (MD) simulation method. The forces between atoms were determined from the gradient of the Embedded Atom Method (EAM) potential function, which includes many-body interactions. It was determined that there is an asymmetry between the stress-strain curves obtained as a result of the tension and compression deformation process applied to the model system. From this asymmetry, it was determined that the yield stress obtained in the drawing process for nanowire with crystallographic orientation was greater than the yield strain obtained as a result of the compression process. In contrast, the opposite was found for nanowires with crystallographic orientation and . In addition, after the yield strain value is exceeded as a result of the drawing process applied to the model nanowire system, compression deformation process was applied at different pre-strain values. The existence of the Bauschinger Effect (BE), which is expressed as the yield strength value as a result of forward loading corresponding to the tension operation, is smaller than the yield value obtained as a result of the compression process in which the loading is removed, was determined. To clarify the effect of BE on Cu nanowires with different crystallographic orientations, Bauschinger Stress parameter (BSP) and Bauschinger Parameter (BP) values were calculated.