Glassy NiTi produced with different cooling times: Structural investigation using molecular dynamics simulations

R. Arifin; Muhammad Malyadi; Munaji; Ghulam Asrofi Buntoro; Alif Mahendara Bagus Nurcahyo; Ridwan; Norhasnidawani Johari; Ali Selamat

doi:10.1016/j.rinp.2019.102545

Glassy NiTi produced with different cooling times: Structural investigation using molecular dynamics simulations

R. Arifin^*, Muhammad Malyadi, Munaji, Ghulam Asrofi Buntoro, Alif Mahendara Bagus Nurcahyo, Ridwan, Darminto, Norhasnidawani Johari, Ali Selamat

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

3 Citations (Scopus)

Abstract

In this research we investigate the structure of glassy NiTi using molecular dynamics simulations. The final configurations are obtained by decreasing the temperature of liquid NiTi rapidly from 2500 K to 300 K, with various cooling times from 0.1 ns to 2.0 ns. We found that the height of the peak values for structural factors slightly increases with an increase in cooling time. From the analysis of local atomic packing using the bond-angle method, we also find that the count of hexagonal close packed (HCP)-like structure drops at the longer cooling time, a finding which is contrary to the trend for body-centered cubic (BCC)-like and icosahedral short-range order (ISRO) structures. It is also observed that face-centered cubic (FCC)-like structure is insensitive to change in cooling time.

Original language	English
Article number	102545
Journal	Results in Physics
Volume	15
DOIs	https://doi.org/10.1016/j.rinp.2019.102545
Publication status	Published - Dec 2019

Keywords

Cooling time
Glassy NiTi
Local atomic packing
Molecular dynamics
Structure

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10.1016/j.rinp.2019.102545

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title = "Glassy NiTi produced with different cooling times: Structural investigation using molecular dynamics simulations",

abstract = "In this research we investigate the structure of glassy NiTi using molecular dynamics simulations. The final configurations are obtained by decreasing the temperature of liquid NiTi rapidly from 2500 K to 300 K, with various cooling times from 0.1 ns to 2.0 ns. We found that the height of the peak values for structural factors slightly increases with an increase in cooling time. From the analysis of local atomic packing using the bond-angle method, we also find that the count of hexagonal close packed (HCP)-like structure drops at the longer cooling time, a finding which is contrary to the trend for body-centered cubic (BCC)-like and icosahedral short-range order (ISRO) structures. It is also observed that face-centered cubic (FCC)-like structure is insensitive to change in cooling time.",

keywords = "Cooling time, Glassy NiTi, Local atomic packing, Molecular dynamics, Structure",

author = "R. Arifin and Muhammad Malyadi and Munaji and Buntoro, {Ghulam Asrofi} and Nurcahyo, {Alif Mahendara Bagus} and Ridwan and Darminto and Norhasnidawani Johari and Ali Selamat",

note = "Publisher Copyright: {\textcopyright} 2019 The Authors",

year = "2019",

month = dec,

doi = "10.1016/j.rinp.2019.102545",

language = "English",

volume = "15",

journal = "Results in Physics",

issn = "2211-3797",

publisher = "Elsevier BV",

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TY - JOUR

T1 - Glassy NiTi produced with different cooling times

T2 - Structural investigation using molecular dynamics simulations

AU - Arifin, R.

AU - Malyadi, Muhammad

AU - Munaji,

AU - Buntoro, Ghulam Asrofi

AU - Nurcahyo, Alif Mahendara Bagus

AU - Ridwan,

AU - Darminto,

AU - Johari, Norhasnidawani

AU - Selamat, Ali

PY - 2019/12

Y1 - 2019/12

N2 - In this research we investigate the structure of glassy NiTi using molecular dynamics simulations. The final configurations are obtained by decreasing the temperature of liquid NiTi rapidly from 2500 K to 300 K, with various cooling times from 0.1 ns to 2.0 ns. We found that the height of the peak values for structural factors slightly increases with an increase in cooling time. From the analysis of local atomic packing using the bond-angle method, we also find that the count of hexagonal close packed (HCP)-like structure drops at the longer cooling time, a finding which is contrary to the trend for body-centered cubic (BCC)-like and icosahedral short-range order (ISRO) structures. It is also observed that face-centered cubic (FCC)-like structure is insensitive to change in cooling time.

AB - In this research we investigate the structure of glassy NiTi using molecular dynamics simulations. The final configurations are obtained by decreasing the temperature of liquid NiTi rapidly from 2500 K to 300 K, with various cooling times from 0.1 ns to 2.0 ns. We found that the height of the peak values for structural factors slightly increases with an increase in cooling time. From the analysis of local atomic packing using the bond-angle method, we also find that the count of hexagonal close packed (HCP)-like structure drops at the longer cooling time, a finding which is contrary to the trend for body-centered cubic (BCC)-like and icosahedral short-range order (ISRO) structures. It is also observed that face-centered cubic (FCC)-like structure is insensitive to change in cooling time.

KW - Cooling time

KW - Glassy NiTi

KW - Local atomic packing

KW - Molecular dynamics

KW - Structure

UR - http://www.scopus.com/inward/record.url?scp=85078508535&partnerID=8YFLogxK

U2 - 10.1016/j.rinp.2019.102545

DO - 10.1016/j.rinp.2019.102545

M3 - Article

AN - SCOPUS:85078508535

SN - 2211-3797

VL - 15

JO - Results in Physics

JF - Results in Physics

M1 - 102545

ER -

Glassy NiTi produced with different cooling times: Structural investigation using molecular dynamics simulations

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Keywords

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