| Effect of alloying element on dislocation cross-slip in gamma '-Ni3Al: a first-principles study |
| X. X. Yu; C. Y. Wang
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| 2012
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| 发表期刊 | Philosophical Magazine
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| ISSN | 1478-6435
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| 卷号 | 92期号:32页码:4028-4039 |
| 摘要 | The effects of alloying elements Re, Ru, Ta, Ti, and W on the activation enthalpy of dislocation cross-slip in gamma'-Ni3Al are studied combining density functional theory calculations with the classical theory of dislocations. The elements Re and Ware found to effectively increase planar fault energies on the (111) plane and decrease the cross-slip activation enthalpy in Ni3Al. The reduction of activation enthalpy will increase the probabilities of cross-slipping and forming sessile dislocation locks. Therefore, Re and W can inhibit the further motion of dislocations and raise the flow stress of Ni3Al in the anomalous temperature regime. The underlying electronic mechanism is the strong bonding of Re-Ni and W-Ni and the weak bonding of Re-Al and W-Al in fault areas. |
| 部门归属 | [yu, xiao-xiang; wang, chong-yu] tsinghua univ, dept phys, beijing 100084, peoples r china. [yu, xiao-xiang] tsinghua univ, dept mat sci & engn, beijing 100084, peoples r china. [wang, chong-yu] chinese acad sci, int ctr mat phys, shenyang 110016, peoples r china.;wang, cy (reprint author), tsinghua univ, dept phys, beijing 100084, peoples r china.;cywang@mail.tsinghua.edu.cn
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| 关键词 | Density Functional Theory
Dislocation Mobility
Electronic Structure
Plastic Flow Properties
Anomalous Yield Behavior
Augmented-wave Method
Atomistic Simulations
Fault Energies
Ni3al Alloys
Nickel
Superalloys
Ternary
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| URL | 查看原文
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| 文献类型 | 期刊论文
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| 条目标识符 | http://ir.imr.ac.cn/handle/321006/60424
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| 专题 | 中国科学院金属研究所
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推荐引用方式
GB/T 7714 |
X. X. Yu,C. Y. Wang. Effect of alloying element on dislocation cross-slip in gamma '-Ni3Al: a first-principles study[J]. Philosophical Magazine,2012,92(32):4028-4039.
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| APA |
X. X. Yu,&C. Y. Wang.(2012).Effect of alloying element on dislocation cross-slip in gamma '-Ni3Al: a first-principles study.Philosophical Magazine,92(32),4028-4039.
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| MLA |
X. X. Yu,et al."Effect of alloying element on dislocation cross-slip in gamma '-Ni3Al: a first-principles study".Philosophical Magazine 92.32(2012):4028-4039.
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