Study of Glass Formation Ability and Evolution of Microstructure of Ag-Cu Alloy

doi:10.19596/j.cnki.1001-246x.8779

Abstract

Abstract:

The rapid solidification process of liquid Ag-Cu alloy at different solute concentrations are simulated by molecular dynamics method. The microstructure evolution characteristic of Ag-Cu alloy is analyzed by two-body distribution function, Honeycutt-Andersen bond type index and extended cluster type index method (CTIM). The results show that the main bond type of Ag-Cu quick setting glass alloy is 1551, and the local quintic symmetry are obvious. The main atomic configuration is icosahedral clusters, in which the regular icosahedral cluster (12 12/1551) is dominant. The highest heritable fraction f of Ag-Cu corresponds to the transition temperature of reduced glass, which proves that Ag₆₀Cu₄₀ has the best amorphous forming ability.

Key words: Ag-Cu alloy, microstructure, evolution, heritable fraction, glass forming ability

Hengbo TAN, Shuangxiang QI, Bei CHEN, Ming GAO, Dadong WEN, Tao LIU, Yonghe DENG. Study of Glass Formation Ability and Evolution of Microstructure of Ag-Cu Alloy[J]. Chinese Journal of Computational Physics, 2025, 42(1): 90-97.

Figures/Tables 10

Fig.1 Average total atomic energy and reduced glass transition temperature of Ag-Cu alloy (a) variations of average total atomic energy with temperature; (b) variations of reduced glass transition temperature with composition

Fig.2 Two-body distribution functions for different components of Ag-Cu alloy at 300 K (a) total two-body distribution function; (b) first peak amplification of total two-body distribution function

Fig.3 Basic H-A bond type of Ag-Cu alloy with (a) temperature and (b) Cu composition

Table 1 Number of basic clusters in different components of Ag-Cu alloy

Cluster index	Ag₇₀Cu₃₀	Ag₆₀Cu₄₀	Ag₅₀Cu₅₀	Ag₄₀Cu₆₀	Ag₃₀Cu₇₀
(12 12/1551)	2 630	2 824	2 811	2 419	2 065
(12 8/1551 2/1541 2/1431)	617	728	732	622	582
(12 2/1441 8/1551 2/1661)	688	688	633	674	653
(13 1/1441 10/1551 2/1661)	1 916	1 966	2 051	2 052	2 026
(13 3/1441 6/1551 4/1661)	1 189	1 070	999	1 213	1 292
(14 2/1441 8/1551 4/1661)	1 620	1 519	1 356	1 479	1 487
(14 1/1441 10/1551 3/1661)	940	949	919	814	749
(14 3/1441 6/1551 5/1661)	843	661	593	668	846
(15 1/1441 10/1551 4/1661)	660	680	744	630	536
(15 2/1441 8/1551 5/1661)	809	748	681	669	642

Fig.4 Number of basic clusters in different components of Ag-Cu alloy

Fig.5 Number of extended clusters varies with (a) temperature and (b) Cu composition

Fig.6 Heredity diagram of the regular icosahedral cluster (12 12/1551) (a) perfect heredity; (b) and (d) segmental heredity; (c)core heredity

Fig.7 Variations of heredity fraction of regular icosahedral (12 12/1551) with temperature under different components

Fig.8 The heredity and evolution diagram of typical regular icosahedral from 1 010 K to 300 K

Fig.9 Relationship between heredity fraction and components of regular icosahedral (12 12/1551)

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