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Structural transformation of Ti-based alloys during tensile and compressive loading: An insight from molecular dynamics simulations

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Abstract

In this study, we investigated the structural alterations that occur when Ti-based alloys, namely, Tix%Al(100-x)% and Tix%Ni(100-x)%, are subjected to compressive and tensile loading using molecular dynamics simulations. It is found that the Tix%Al(100-x)% and Tix%Ni(100-x)% alloys containing equal ratios (50:50) of the atoms have a higher mechanical strength than those with different atomic compositions. Furthermore, the tensile and compressive stress patterns in the stress–strain curves are correlated with these structural changes. The development of a face-centered cubic (FCC)-like structure in Tix%Al(100-x)% and Tix%Ni(100-x)% alloys is generally associated with an improvement in the tensile strength of the material.

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The datasets generated during and/or analyzed during the current study are available from the corresponding author on reasonable request.

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Acknowledgments

Funding for the preparation of the manuscript was provided by a World Class Professor Program 2022 from the Ministry of Education, Culture, Research, and Technology of the Republic of Indonesia in collaboration with the LPDP, Ministry of Finance, Republic of Indonesia.

Funding

The study was supported by Direktorat Jenderal Pendidikan Tinggi, Kementerian Keuangan Republik Indonesia.

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Authors and Affiliations

  1. Department of Mechanical Engineering, Universitas Muhammadiyah Ponorogo, Jl. Budi Utomo No. 10, Ponorogo, 63471, Indonesia

    Rizal Arifin, Dian Rifka Puja Setiawan, Dadang Triawan, Apriliandy Fajar Syah Putra,  Munaji, Yoyok Winardi & Wawan Trisnadi Putra

  2. Department of Physics, Institut Teknologi Sepuluh Nopember, Kampus ITS Sukolilo, Surabaya, 60111, Indonesia

    Darminto

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  1. Rizal Arifin
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  2. Dian Rifka Puja Setiawan
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Correspondence to Rizal Arifin.

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Arifin, R., Setiawan, D.R.P., Triawan, D. et al. Structural transformation of Ti-based alloys during tensile and compressive loading: An insight from molecular dynamics simulations. MRS Communications 13, 225–232 (2023). https://doi.org/10.1557/s43579-023-00333-6

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