Molecular dynamics simulation of nano-sized crystallization during plastic deformation in an amorphous metal

R. Tarumi, A. Ogura, Masayuki Shimojo, K. Takashima, Y. Higo

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

2 Citations (Scopus)

Abstract

An NTP ensemble molecular dynamics simulation was carried out to investigate the mechanism of nano-sized crystallization during plastic deformation in an amorphous metal. The atomic system used in this study was Ni single component. The total number of Ni atoms was 1372. The Morse type inter-atomic potential was employed. An amorphous model was prepared by a quenching process from the liquid state. Pure shear stresses were applied to the amorphous model at a temperature of 50 K. At applied stresses of less than 2.4GPa, at a linear relation between shear stress and shear strain was observed. However, at an applied shear stress of 2.8 GPa, the amorphous model started to deform significantly until shear strain reached to 0.78. During this deformation process, phase transformation from amorphous into crystalline structure (fcc) was observed. Furthermore, an orientation relationship between shear directions and crystalline phase was obtained, that is, two shear directions are parallel to a (111) of the fcc structure. This crystallographic orientation relationship agreed well with our experimental result of Ni-P amorphous alloy. Mechanisms of phase transformation from amorphous into crystalline structure were discussed.

Original languageEnglish
Title of host publicationMaterials Research Society Symposium - Proceedings
EditorsD. Farkas, H. Kung, M. Mayo, H. Swygenhoven, J. Weertman
Volume634
Publication statusPublished - 2001
Externally publishedYes
EventStructure and Mechanical Properties of Nanophase Materials- Theory and Computer Si,ulation v.s Experiment - Boston, MA, United States
Duration: 2000 Nov 282000 Nov 30

Other

OtherStructure and Mechanical Properties of Nanophase Materials- Theory and Computer Si,ulation v.s Experiment
CountryUnited States
CityBoston, MA
Period00/11/2800/11/30

Fingerprint

Crystallization
Molecular dynamics
Plastic deformation
Metals
Computer simulation
Shear stress
Shear strain
Crystalline materials
Phase transitions
Amorphous alloys
Crystal orientation
Quenching
Atoms
Liquids
Temperature

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials

Cite this

Tarumi, R., Ogura, A., Shimojo, M., Takashima, K., & Higo, Y. (2001). Molecular dynamics simulation of nano-sized crystallization during plastic deformation in an amorphous metal. In D. Farkas, H. Kung, M. Mayo, H. Swygenhoven, & J. Weertman (Eds.), Materials Research Society Symposium - Proceedings (Vol. 634)

Molecular dynamics simulation of nano-sized crystallization during plastic deformation in an amorphous metal. / Tarumi, R.; Ogura, A.; Shimojo, Masayuki; Takashima, K.; Higo, Y.

Materials Research Society Symposium - Proceedings. ed. / D. Farkas; H. Kung; M. Mayo; H. Swygenhoven; J. Weertman. Vol. 634 2001.

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

Tarumi, R, Ogura, A, Shimojo, M, Takashima, K & Higo, Y 2001, Molecular dynamics simulation of nano-sized crystallization during plastic deformation in an amorphous metal. in D Farkas, H Kung, M Mayo, H Swygenhoven & J Weertman (eds), Materials Research Society Symposium - Proceedings. vol. 634, Structure and Mechanical Properties of Nanophase Materials- Theory and Computer Si,ulation v.s Experiment, Boston, MA, United States, 00/11/28.
Tarumi R, Ogura A, Shimojo M, Takashima K, Higo Y. Molecular dynamics simulation of nano-sized crystallization during plastic deformation in an amorphous metal. In Farkas D, Kung H, Mayo M, Swygenhoven H, Weertman J, editors, Materials Research Society Symposium - Proceedings. Vol. 634. 2001
Tarumi, R. ; Ogura, A. ; Shimojo, Masayuki ; Takashima, K. ; Higo, Y. / Molecular dynamics simulation of nano-sized crystallization during plastic deformation in an amorphous metal. Materials Research Society Symposium - Proceedings. editor / D. Farkas ; H. Kung ; M. Mayo ; H. Swygenhoven ; J. Weertman. Vol. 634 2001.
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