Magnetic resonance imaging (MRI) compatible ZrX (X = Hf, Mo and Ru) alloys with enhanced mechanical properties as alternative biomedical applications

Publication date: 15 March 2020Source: Scripta Materialia, Volume 178Author(s): Yee Hui Robin Chang, Tiem Leong Yoon, Thong Leng Lim, Moi Hua TuhAbstractNovel 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.Graphical abstract
Source: Scripta Materialia - Category: Materials Science Source Type: research