Sains Malaysiana 48(9)(2019): 2029–2039

http://dx.doi.org/10.17576/jsm-2019-4809-24

Atomistic Simulations of Nanoindentation Response of Irradiation Defects in Iron

(Simulasi Atomistik bagi Tindak Balas Pelekukan Nano bagi Kecacatan Penyinaran dalam Besi)

M. MUSTAFA AZEEM¹, QINGYU WANG*¹ & MUHAMMAD ZUBAIR²

¹College of Nuclear Science and Technology, Harbin Engineering University, Harbin 150001, China

²Department of Nuclear Engineering, University of Sharjah, United Arab Emirates

Diserahkan: 25 Februari 2019/Diterima: 12 Julai 2019

ABSTRACT

Radiation response of a material is a consequence of defects' evolution in any radiation damage event. The radiation-induced defects can significantly alter the mechanical properties of a material. Radiation damage initiates from incident neutron by bombardment on solid material causing production and evolution of Frenkel defects. Since voids are formed due to aggregation of a large number of vacancies that cause dimensional changes and hence irradiation-induced swelling. In order to characterize the effect of irradiation defects, we have performed molecular dynamics (MD) simulations to investigate nanoindentation response of point defects and voids in Fe and their effects on mechanical parameters. The radial effect of voids and their interaction mechanism is also explored by nanoindentation simulation. It has been found that most of the dislocation produced are <111> and <100> during nanoindentation in all simulated models. There will be an increase in dislocation density which will harden the material and reduce its toughness. The mechanical parameters such as hardness H and reduced elastic modulus Er of irradiation defects are calculated from P-h curves. It is found that both H & Er of the point defects and voids are lower than the perfect model.

Keywords: Elastic modulus; hardness; irradiation defects; molecular dynamics simulations; nanoindentation

ABSTRAK

Tindak balas sinaran sesuatu bahan adalah kesan daripada evolusi kecacatan dalam kejadian kerosakan sinaran. Punca kecacatan aruhan sinaran dengan ketara boleh mengubah sifat mekanik bahan. Kecacatan sinaran yang dimulakan daripada kejadian neutron dengan pembedilan pada bahan pepejal menyebabkan pengeluaran dan evolusi kecacatan Frenkel. Lompang terbentuk kerana pengagregatan sebilangan besar kekosongan yang menyebabkan perubahan dimensi dan bengkak teraruh penyinaran. Untuk mencirikan kesan kecacatan penyinaran, simulasi molekul dinamik (MD) telah dijalankan untuk mengkaji tindak balas pelekukan nano kecacatan titik dan lompang pada Fe dan kesannya terhadap parameter mekanik. Kesan jejari lompang dan mekanisme interaksinya juga diterokai oleh simulasi pelekukan nano. Didapati bahawa kebanyakan kehelan yang dihasilkan adalah <111> dan <100> semasa pelekukan-nano dalam semua model simulasi. Terdapat peningkatan dalam ketumpatan perkehelan yang akan mengeraskan bahan dan mengurangkan keliatan. Parameter mekanik seperti kekerasan H dan pengurangan sinaran kecacatan modulus elastik Er akan dihitung bermula dari lengkung P-h. Didapati bahawa kedua-dua titik cacat dan lompang H & Er adalah lebih rendah berbanding model yang sempurna.

Kata kunci: Kecacatan sinaran; kekerasan; modulus elastik; pelekukan nano; simulasi molekul dinamik

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*Pengarang untuk surat-menyurat; email: wangqingyu@hrbeu.edu.cn