title: The deformation mechanism of Ni-Ta bulk metallic glasses after tensile: molecular dynamics study.
abstract: The mechanical properties of Ni-Ta crystallizationand binary bulk metallic glasses (BMG) were investigated for this study at the nanoscale. First, the Ta9Ni3 crystals are formed by space group, and structures with different ratios (Ta1Ni1, BTa8Ni4, BTa9Ni3, BTa7Ni5) were put into unit cell randomly. The optimizations of BMG structures are performed by Density functional theory (DFT) calculation to find the stable amorphous structures and corresponding energy. The FMM is utilized to obtain the suitable parameters of tight-binding potential bystable amorphous structures and corresponding energies. Finally, we employ molecular dynamics (MD) simulation to study mechanical properties of Ni/Ta crystallization and BMG, such as atomistic stress-strain, plastic and elastic deformation, and elastic modulus.
authors: Department of Mechanical and Electro-Mechanical Engineering, Center for Nanoscience and Nanotechnology, National Sun Yat-sen University, Kaohsiung, Taiwan 804, ROC.
authors: Ken-Huang
authors: KH
authors: Lin
authors: Shin-Pon
authors: SP
authors: Jul
authors: Hui-Lung
authors: HL
authors: Chen
authors: Hsin-Tsung
authors: HT
authors: Chen
authors: Chuan
authors: C
authors: Chen
authors: Meng-Hsiung
authors: MH
authors: Weng
authors: Jenn-Sen
authors: JS
authors: Lin
authors: Jin-Yuan
authors: JY
authors: Hsieh
authors: Hsi-Wen
authors: HW
authors: Yang
authors: Yu-Ting
authors: YT
authors: Feng