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分子动力学仿真过程中硅晶体位错模型的构建 被引量:2
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作者 郭晓光 张亮 +1 位作者 金洙吉 郭东明 《中国机械工程》 EI CAS CSCD 北大核心 2013年第17期2285-2289,共5页
基于位错形成机理,在单晶硅晶体结构基础上描述了硅晶体位错形成的过程。应用偶极子模型,构建了60°滑移位错芯和螺旋位错芯,进而得到硅晶体含有60°滑移位错的模型和含有螺旋位错的模型。对含有螺旋位错的硅晶体模型进行了分... 基于位错形成机理,在单晶硅晶体结构基础上描述了硅晶体位错形成的过程。应用偶极子模型,构建了60°滑移位错芯和螺旋位错芯,进而得到硅晶体含有60°滑移位错的模型和含有螺旋位错的模型。对含有螺旋位错的硅晶体模型进行了分子动力学仿真计算,分析了含有螺旋位错的硅晶体超精密磨削的加工过程,研究了含有螺旋位错缺陷的硅晶体纳米级磨削机理。 展开更多
关键词 分子动力学仿真 滑移位错 螺旋位 硅晶体 纳米级磨削
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纳米Fe/Ni薄膜界面位错的形核和发射
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作者 周银库 陈尚达 《纳米技术》 2012年第2期23-26,共4页
用分子动力学模拟的方法研究了拉伸加载下位错在Fe/Ni界面的形核和发射过程。拉伸沿Fe[1 0 0]方向进行,平行于界面。由于晶格失配,系统弛豫后在Fe(0 0 1)/Ni(1 1 0)界面处会形成长方形的失配位错网络。模拟结果显示,当应变达到7.2%时,... 用分子动力学模拟的方法研究了拉伸加载下位错在Fe/Ni界面的形核和发射过程。拉伸沿Fe[1 0 0]方向进行,平行于界面。由于晶格失配,系统弛豫后在Fe(0 0 1)/Ni(1 1 0)界面处会形成长方形的失配位错网络。模拟结果显示,当应变达到7.2%时,滑移位错首先在界面处失配位错线上形核,随着应变增加滑移位错向铁内部发射,而在镍内部并没有位错发射。当应变达到8.4%时,镍内才出现位错发射。在Fe基底中位错主要在{1 1 0}滑移面上滑移,而在Ni中主要在{1 1 1}滑移面上滑移。 展开更多
关键词 Fe/Ni界面 分子动力学 失配位 滑移位错
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Atomistic simulations of interactions between screw dislocation and twin boundaries in zirconium 被引量:5
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作者 Xiao-zhi TANG Hui-shi ZHANG Ya-fang GUO 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2018年第6期1192-1199,共8页
Molecular statics was employed to simulate interaction between screw dislocation and twin boundaries(TB) in hexagonal close-packed zirconium. In the moving TB model, the interaction of a moving {10ˉ12} TB with a st... Molecular statics was employed to simulate interaction between screw dislocation and twin boundaries(TB) in hexagonal close-packed zirconium. In the moving TB model, the interaction of a moving {10ˉ12} TB with a static 1/311ˉ20{10ˉ10} screw dislocation was investigated. Twinning dislocation(TD) nucleation and movement play an important role in the interaction. The screw dislocation passes through the moving TB and changes to a basal one with a wide core. In the moving dislocation model, a moving 1/31120{1010} dislocation passes through the TB, converting into a basal one containing two partial dislocations and an extremely short stacking fault. If the TB changes to the {1011} one, the moving1/31120{1010} prismatic screw dislocation can be absorbed by the static TB and dissociated into two TDs on the TB. Along with the stress-strain relationship, results reveal the complicated mechanisms of interactions between the dislocation and TBs. 展开更多
关键词 twin boundary twinning dislocation slip transfer reaction athermal process
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Impact of replacement of Re by W on dislocation slip mediated creeps of γ'-Ni_(3)Al phases 被引量:2
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作者 Zhou YI Yun-lei XU +1 位作者 Ping PENG Jiang-hua CHEN 《Transactions of Nonferrous Metals Society of China》 SCIE EI CAS CSCD 2021年第7期2013-2023,共11页
The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surface... The anomalous flow behavior of γ'-Ni_(3)Al phases at high temperature is closely related to the cross-slip of 1/2<110>{111}super-partial dislocations.Generalized stacking fault energy curves(i.e.,Γ-surfaces)along the lowest energy path can provide a great deal of information on the nucleation and movement of dislocations.With the first-principles calculation,the interplay between Re and W,Mo,Ta,Ti doped at preferential sites and their synergetic influence on Γ-surfaces and ideal shear strength(τ_(max))in γ'-Ni_(3)Al phases are investigated.Similar to single Re-addition,the Suzuki segregation of W at stacking faults is demonstrated to enable to impede the movement of 1/6<112>{111} Shockley partial dislocations and promote the cross-slip of 1/2<110>{111}super-partial dislocations.With the replacement of a part of Re by W,a decreased γ_(APB)^(111)/γ_(APB)^(001) indicates that the anomalous flow behavior of γ'phases at high temperature is not as excellent as the double Re-addition,but an increasedτmax means that the creep rupture strength of Ni-based single crystal superalloys can be benefited from this replacement to some extent,especially in the co-segregation of Re and W at Al−Al sites.As the interaction between X1_(Al) and X2_(Al) point defects is characterized by an correlation energy function ΔE^(X1_(Al)+X2_(Al))(d),it is found that both strong attraction and strong repulsion are unfavarable for the improvement of yield strengths of γ'phase. 展开更多
关键词 Ni-based single crystal superalloy γ'-Ni_(3)Al generalized stacking fault energy ideal shear strength dislocation CROSS-SLIP
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Slip Rate on the Altyn Tagh Fault on the West of the Cherchen River (Between 85°~ 85°45′E) Since Late Quaternary
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作者 WangFeng LiMing +2 位作者 XuXiwei ZhengRongzhang ChenWenbin 《Earthquake Research in China》 2004年第4期396-405,共10页
Because of the significance to the formation and evolution of the Tibetan plateau, the displacement and slip rate of the Altyn Tagh fault have been topics full of disputation. Scientists who hold different opinions on... Because of the significance to the formation and evolution of the Tibetan plateau, the displacement and slip rate of the Altyn Tagh fault have been topics full of disputation. Scientists who hold different opinions on the evolution of Tibet insist on different slip rates and displacements of the fault zone. In the article, study is focused on the late Quaternary slip rate of the Altyn Tagh fault west of the Cherchen River (between 85°E and 85°45’E). On the basis of high resolution SPOT images of the region, three sites, namely Koramlik, Aqqan pasture and Dalakuansay, were chosen for field investigation. To calculate the slip rate of the fault, displacement of terraces was measured on SPOT satellite images or in situ during fieldwork and thermo-luminescence (TL) dating method was used. To get the ages of terraces, samples of sand were collected from the uppermost sand beds that lie just under loess. The method for calculating slip rate of fault is to divide the displacement of terrace risers by the age of its neighboring lower terrace. The displacement of rivers is not considered in this article because of its uncertainties. At Koramlik, the slip rate of the Altyn Tagh fault is 11.6±2.6mm/a since 6.02±0.47ka B.P and 9.6±2.6mm/a since 15.76±1.19ka B.P. At Aqqan pasture, about 30km west of Koramlik, the slip rate is 12.1±1.9mm/a since 2.06±0.16 ka B.P. At Dalakuansayi, the slip rate of the fault is 12.2±3.0mm/a since 4.91±0.39ka B.P. Hence, we get the average slip rate of 11.4±2.5mm/a for the western part of the Altyn Tagh Fault since Holocene. This result is close to the latest results from GPS research. 展开更多
关键词 The Altyn Tagh fault Strike-slip fault Offset landform Slip rate
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