Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities

Takayuki Sakai, Hideyuki Murakami, Hiroshi Harada

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Abstract

Examination of dislocation behavior in the level of atomic scale is one of effective approaches for understanding inelastic deformation behavior of engineering materials. In this study, a molecular dynamics code incorporated with a modified EAM (MEAM) potential proposed by Baskes was developed to investigate the dislocation behavior in nickel alloys. As verification of the code, molecular dynamics simulations for a nickel metal containing with an edge dislocation and an impurity element were carried out. Consequently, it was shown that the dislocation behavior had some temperature dependences in terms of dislocation velocity and Peiers stress. Then, it was demonstrated that the edge dislocation was made transferred under the influence of some kinds of element that seemed to be effective for solid-solution strengthening of nickel alloys. Therefore, it was proved that the MEAM potential was effective for at least qualitative evaluation of dislocation behavior.

Original languageEnglish
Title of host publicationProceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai)
EditorsC. Zongij, F. Minrui, H. Guosen, P. Xiaoyuan, X. Guangleng, C. Zongji, F. Minrui, H. Guosen, P. Xiaoyuan, X. Guangleng
Pages239-243
Number of pages5
Publication statusPublished - 2002 Dec 1
Externally publishedYes
EventProceedings of Asian Simulation Conference/the 5th International Conference on: System Simulation and Scientific Computing (Shanghai) - Shanghai, China
Duration: 2002 Nov 32002 Nov 6

Other

OtherProceedings of Asian Simulation Conference/the 5th International Conference on: System Simulation and Scientific Computing (Shanghai)
CountryChina
CityShanghai
Period02/11/302/11/6

Fingerprint

Edge dislocations
Nickel alloys
Nickel
Dislocation
Impurities
Molecular Dynamics Simulation
Molecular dynamics
Metals
Computer simulation
Dislocations (crystals)
Solid solutions
Temperature
Strengthening
Temperature Dependence
Molecular Dynamics
Engineering
Evaluation

ASJC Scopus subject areas

  • Modelling and Simulation

Cite this

Sakai, T., Murakami, H., & Harada, H. (2002). Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities. In C. Zongij, F. Minrui, H. Guosen, P. Xiaoyuan, X. Guangleng, C. Zongji, F. Minrui, H. Guosen, P. Xiaoyuan, ... X. Guangleng (Eds.), Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai) (pp. 239-243)

Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities. / Sakai, Takayuki; Murakami, Hideyuki; Harada, Hiroshi.

Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai). ed. / C. Zongij; F. Minrui; H. Guosen; P. Xiaoyuan; X. Guangleng; C. Zongji; F. Minrui; H. Guosen; P. Xiaoyuan; X. Guangleng. 2002. p. 239-243.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Sakai, T, Murakami, H & Harada, H 2002, Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities. in C Zongij, F Minrui, H Guosen, P Xiaoyuan, X Guangleng, C Zongji, F Minrui, H Guosen, P Xiaoyuan & X Guangleng (eds), Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai). pp. 239-243, Proceedings of Asian Simulation Conference/the 5th International Conference on: System Simulation and Scientific Computing (Shanghai), Shanghai, China, 02/11/3.
Sakai T, Murakami H, Harada H. Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities. In Zongij C, Minrui F, Guosen H, Xiaoyuan P, Guangleng X, Zongji C, Minrui F, Guosen H, Xiaoyuan P, Guangleng X, editors, Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai). 2002. p. 239-243
Sakai, Takayuki ; Murakami, Hideyuki ; Harada, Hiroshi. / Molecular dynamics simulations for a nickel metal with an edge dislocation and some impurities. Proceedings of Asian Simulation Conference; System Simulation and Scientific Computing (Shanghai). editor / C. Zongij ; F. Minrui ; H. Guosen ; P. Xiaoyuan ; X. Guangleng ; C. Zongji ; F. Minrui ; H. Guosen ; P. Xiaoyuan ; X. Guangleng. 2002. pp. 239-243
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