Atomic bond proportions and relations to physical properties in metallic glasses

Accurate prediction method for the microstructure of amorphous alloys without non-metallic elements*

“…In some special cases, such as the liquid alloy in rapid cooling solidification, the atoms in liquid alloy lacks sufficient time to achieve a completely ordered arrangement and crystallization, and may form a relatively stable amorphous alloy with a disordered solid state structure within a certain duration and temperature range. [1][2][3][4] The amorphous alloys differ from crystalline alloys by the former's lack of grain and grain boundary. Therefore, amorphous alloys possess many unique properties, such as excellent magnetism, corrosion resistance, and wear resistance; high strength, hardness, and toughness; and high resistivity and electromechanical coupling properties.…”

“…[9] However, these schemes have failed to establish a direct relationship between the structure and properties of the amorphous alloys. In our previous study, [1] a new structural parameter, namely, atomic bond proportion, was proposed and the corresponding calculation method was given. This new structure theory holds that the atomic bond proportion in amorphous alloys entirely composed of metallic elements (without non-metallic elements) is only related to the mole percentage of elements and the atomic radius, when the elemental distribution in the liquid alloys is completely homogeneous and the cooling solidification rate is infinite during the preparation process.…”

Ab initio molecular dynamics study of the local atomic structures in monatomic metallic liquid and glass

“…In contrast with the crystalline metals and alloys, the lack of an in-depth description of the topological structures of amorphous alloys such as metallic glasses (MGs) is a major impediment for establishing structure-property correlations about MGs [1][2][3][4][5][6][7][8]. Clearly an in-depth understanding of the local atomic structures in MGs is of both scientific interest and technological significance.…”

A molecular dynamics analysis of internal friction effects on the plasticity of Zr65Cu35 metallic glass

“…The existing work on heterogeneity has confirmed short-to medium-range orders in BMGs [4][5][6]. By exploiting structural heterogeneity [7,8], BMGs have been studied using internal friction (IF) [9][10][11], which characterizes energy dissipations during cyclic mechanical loading.…”