Citation

Lim, Thong Leng and Tuh, Moi Hua and Chang, Yee Hui Robin and Yoon, Tiem Leong (2020) Magnetic resonance imaging (MRI) compatible ZrX (X = Hf, Mo and Ru) alloys with enhanced mechanical properties as alternative biomedical applications. Scripta Materialia, 178. pp. 82-85. ISSN 1359-6462

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Abstract

Novel magnetic resonance imaging (MRI) compatible P6/mmm-Zr8Hf4, Fd3m-Zr2Mo4 and Pm3m-ZrRu alloys with ultralow magnetic moment have been uncovered via first-principles evolutionary simulations. Their optimized lattice constants, elastic moduli, Vickers hardness, tensile strength, fracture toughness and ductility index have been calculated and discussed. These phases are thermodynamically, mechanically and dynamically stable. The calculated density of states reveals their metallic nature and hardness origin. Hardness and tensile strength of all specimens were significantly improved compared with those of pure Zr, Hf, Mo and Ru elements. Particularly, Zr2Mo4 and ZrRu phases also exhibit impressive ductile behavior.

Item Type:	Article
Uncontrolled Keywords:	Density functionals, Ab initio, Density functional theory, Elastic properties, Magnetization, Susceptibility
Subjects:	Q Science > QC Physics > QC 1-75 General
Divisions:	Faculty of Engineering and Technology (FET)
Depositing User:	Ms Suzilawati Abu Samah
Date Deposited:	14 Dec 2020 13:56
Last Modified:	14 Dec 2020 13:56
URII:	http://shdl.mmu.edu.my/id/eprint/7933

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