Proposed thermodynamic method to predict the glass formation of the ternary transition metal systems

Abstract

By considering the energetic competition between the crystalline solid solution and glass phase, a thermodynamic method is proposed to predict/determine the glass forming range of a ternary metal system and in terms of the dynamics, the parameter gamma(ABC)* is further defined to search for a proper alloy with superior glass forming ability in the system. 10 more ternary/binary metal systems, e.g. the Cu-Zr-Ti and Cu-Hf-Ti systems, were studied and the predicted alloys of superior glass forming ability match well with those reported from experimental observations.

Glass formation of the Fe–Hf system studied by thermodynamic calculation and ion beam mixing

“…According to Xia's proposal and our modification [14,15], the GFA was affected by two aspects: (1) the driving force for the formation of glass, i.e., − H amor , and (2) the resistance of glass formation against crystallization, i.e., the difference between the driving force for the glass phase and for the intermetallic compound ( H amor − H inter , here H inter is the enthalpy of intermetallic compound). Based on this thermodynamic analysis, Xia proposed the parameter * to describe GFA as follows [14]:…”

“…Recently, Xia et al proposed a parameter, *, to describe the GFA of binary alloys, and it is well in prediction the GFA of Cu-Hf, Ni-Nb and Cu-Zr system [14]. Recently, we made a modification to Xia's proposal and it works more convenient to describe the GFA of transition metal systems [15].…”

Calculation of driving force and local order to predict the favored and optimized compositions for Mg-Cu-Ni metallic glass formation

“…Thermodynamics calculation is another widely adopted approach to predict the GFA. [38][39][40] The method applied in the present study differs from the previous thermodynamics calculations in two aspects: First, thermodynamics calculation is a phenomenological method and evaluates the crystal-toamorphous phase transition from the macroscopic respect, while the atomistic simulations in the present study are conducted from the microscopic respect to describe the interactions among the atoms. Second, thermodynamics calculation belongs to the empirical domain and the model is strictly valid only at low temperature, despite it has played an important role as guidelines for the synthesis of metallic glasses, while the atomistic simulations in the present study are based on a realistic interatomic potential and the temperature can be exactly scaled around the simulation temperature (300 K).…”

Predicting Composition Dependence of Glass Forming Ability in Ternary Al-Cu-Y System by Thermodynamic Calculation

“…Specifically, in determining the Gibbs free energies, many factors that have been recognized as closely correlated with glass formation are considered, such as valence, electronegativity, crystalline structure and atomic size mismatch [16,18]. Moreover, in order to further evaluate the GFA, the parameter γ* that is proposed by Xia et al [19] and modified by Wang et al [11] is revealed to work quite well. It is assumed that metallic glasses would be more readily obtained in the compositions with high GFA, while the relatively low GFA indicates the declination of driving force for glass formation and the reduction of resistance against crystallization, and thus it requires more severe kinetic conditions to obtain the metallic glasses.…”

“…In the field of BMGs, one of the most important issues is to clarify the formation mechanism, because a clear understanding of metallic glass formation would serve as guidance for choosing the relevant components and designing an appropriate chemical stoichiometry for obtaining the desired metallic glasses [9][10][11]. Concerning this issue, researchers have been working hard in the past decades and have proposed some empirical criteria or rules to predict in which system and at what chemical stoichiometry, metallic glass is most likely to be obtained [12][13][14][15].…”