Development of Interatomic Potential for Zr-Ni Amorphous Systems

Glass transition and crystallization of amorphous Ni–Ti–Zr thin films by combinatorial nano-calorimetry

Interatomic Potential Models for Nanostructures

Over the last decade, nanoscience and nanotechnology [1–4] have emerged as two of the pillars of the research that will lead us to the next industrial revolution [5] and, together with molecular biology and information technology, will map the course of scientific and technological developments in the 21st century. This progress has been largely due to the development of sophisticated theoretic...

Structural Study of Amorphous Carbon using Adaptive Interatomic Reactive Empirical Bond-order Potential Model

The structural properties of amorphous carbon (aC) systems with densities of 2.0, 2.6, and 3.0 g/cm were studied using classical molecular dynamics with the adaptive interatomic reactive empirical bond-order (AIREBO) potential model. The AIREBO model enhances the locally reactive bond-order REBO potential for covalent materials to include long range van der Waals and torsional interactions that...

Development of Ni- and Cu-Free Zr-Based Bulk Metallic Glasses for Biomedical Applications

Two Niand Cu-free bulk metallic glasses (BMGs) of Zr65Pd17:5Fe10Al7:5 and Zr65Pd12:5Ag5Fe10Al7:5, with a critical casting diameter of 6mm and a compressive strength above 1500MPa, were developed. While the Zr65Pd17:5Fe10Al7:5 alloy showed little plastic strain before fracture, the Zr65Pd12:5Ag5Fe10Al7:5 alloy exhibited much larger plasticity by the relatively stable, intermittent propagation of...

Hydrogen diffusion in Zr-Pd amorphous alloys

Nuclear Magnetic Relaxation measurements of the dipolar relaxation rate due to hydrogen diffusion in Zr-Pd amorphous alloy~ have been conducted and the results interpreted in terms of the random alloy model. It is found that even though the measured activation