Efficient atomic packing-chemistry coupled model and glass formation in ternary Al-based metallic glasses

Wu, Naiqin; Kan, Dong; Zuo, Liang; Wang, J.Q.

doi:10.1016/j.intermet.2013.03.008

Cited by 18 publications

(12 citation statements)

References 31 publications

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“…The pair potential of many metallic systems includes intermediate-range repulsive interactions [52] in addition to short-range attractive interactions, which can give rise to intermediate-range positional order [53,54]. Intermediate-range pairwise repulsive interactions are often modeled using the Dzugutov potential [30,[55][56][57].…”

Section: Dzugutov-shi (Dz) Potentialmentioning

confidence: 99%

Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

Zhang

Meng

Liu

et al. 2015

The Journal of Chemical Physics

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When a liquid is cooled well below its melting temperature at a rate that exceeds the critical cooling rate Rc, the crystalline state is bypassed and a metastable, amorphous glassy state forms instead. Rc (or the corresponding critical casting thickness dc) characterizes the glass-forming ability (GFA) of each material. While silica is an excellent glass-former with small Rc < 10 −2 K/s, pure metals and most alloys are typically poor glass-formers with large Rc > 10 10 K/s. Only in the past thirty years have bulk metallic glasses (BMGs) been identified with Rc approaching that for silica. Recent simulations have shown that simple, hard-sphere models are able to identify the atomic size ratio and number fraction regime where BMGs exist with critical cooling rates more than 13 orders of magnitude smaller than those for pure metals. However, there are a number of other features of interatomic potentials beyond hard-core interactions. How do these other features affect the glass-forming ability of BMGs? In this manuscript, we perform molecular dynamics simulations to determine how variations in the softness and non-additivity of the repulsive core and form of the interatomic pair potential at intermediate distances affect the GFA of binary alloys. These variations in the interatomic pair potential allow us to introduce geometric frustration and change the crystal phases that compete with glass formation. We also investigate the effect of tuning the strength of the many-body interactions from zero to the full embedded atom model on the GFA for pure metals. We then employ the full embedded atom model for binary BMGs and show that hard-core interactions play the dominant role in setting the GFA of alloys, while other features of the interatomic potential only change the GFA by one to two orders of magnitude. Despite their perturbative effect, understanding the detailed form of the intermetallic potential is important for designing BMGs with cm or greater casting thickness.

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Section: Dzugutov-shi (Dz) Potentialmentioning

confidence: 99%

Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

Zhang

Meng

Liu

et al. 2015

The Journal of Chemical Physics

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“…As we know, numerous efforts have been made to design better Al-based glass formers [1,8,15,[32][33][34][35][36][37][38], and the Al-Ni-Y-Co-La quinary alloy system presents the best GFA [1,34]. Deduced from Table 1, herein, we selected Al 86 Ni 6 Y 4.5 Co 2 La 1.5 alloy for the following study since it has the minimum R c (i.e.…”

Section: Critical Casting Diameter Predictionmentioning

confidence: 99%

“…The size limitation of Al-based metallic glasses has hindered its further development in many relevant areas, such as the optional design of microstructure [9,11], the investigation of corrosion-resisting properties with large scale metallic coatings [4] and the mechanical properties investigation of BMGs with selective laser melting (SLM) technique [12][13][14] etc. In order to design larger Al-based BMG to fulfill its potential application, many methods, e.g., theoretical models [6,7,15,16] and empirical criterions [1,8], have been proposed. Unfortunately, solidification process, another key factor closely related to sample size, has rarely been analyzed in Al-based BMGs in previous researches.…”

Section: Introductionmentioning

confidence: 99%

Evaluation of glass formation and critical casting diameter in Al-based metallic glasses

et al. 2015

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“…From another perspective considering the electronic structure, the composition design for enhanced GFA can follow a route towards 2K F (the diameter of the Fermi sphere) =K p (the diameter of the pseudo-Brillouin zone), when the electronic density of states at the Fermi level is minimized [76,77] At the local structure level, icosahedral clusters cannot achieve a global periodic packing and the resulting geometrical frustration will facilitate glass formation. In the Al-Sm system, the large size and the strong d-bonding character of Sm atoms suppress the fcc short-range order (FSRO) [79] and the icosahedral short-range order (ISRO) is enhanced in favor of glass formation [80].…”

Section: Minor Alloying Effects On Glass Forming Ability and Crystallmentioning

confidence: 99%

Al-based amorphous alloys: Glass-forming ability, crystallization behavior and effects of minor alloying additions

Shen

Perepezko

2017

Journal of Alloys and Compounds

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The main recent advances in Al-based amorphous alloys are discussed in three areas: crystallization behavior, glass-forming ability and minor alloying effects. First, as a brief introduction, the special features and structure-property relationships are presented for the Albased amorphous alloys. The different models for the nucleation behaviors, such as phase separation model and the quenched-in nuclei model, are compared and evaluated. In addition, an overview is given for the effects of minor alloying additions on glass-forming ability (GFA) and the crystallization behavior in terms of the reported structural, thermodynamic, kinetic factors.

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Efficient atomic packing-chemistry coupled model and glass formation in ternary Al-based metallic glasses

Cited by 18 publications

References 31 publications

Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

Beyond packing of hard spheres: The effects of core softness, non-additivity, intermediate-range repulsion, and many-body interactions on the glass-forming ability of bulk metallic glasses

Evaluation of glass formation and critical casting diameter in Al-based metallic glasses

Al-based amorphous alloys: Glass-forming ability, crystallization behavior and effects of minor alloying additions

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