Atomistic modeling to investigate the favored composition for metallic glass formation in the Ca–Mg–Ni ternary system

2017 ◽  
Vol 19 (19) ◽  
pp. 12056-12063 ◽  
Author(s):  
S. Zhao ◽  
J. H. Li ◽  
S. M. An ◽  
S. N. Li ◽  
B. X. Liu
Keyword(s):  
Monte Carlo ◽  
Metallic Glass ◽  
Ternary System ◽  
Monte Carlo Simulations ◽  
Glass Formation ◽  
Interatomic Potential ◽  
Atomistic Modeling ◽  
System P

A realistic interatomic potential was first constructed for the Ca–Mg–Ni system and then applied to Monte Carlo simulations to predict the favored composition for metallic glass formation in the ternary system.

scholarly journals Computational assisted design of the favored composition for metallic glass formation in a Ca–Mg–Cu system

RSC Advances ◽  
2017 ◽  
Vol 7 (62) ◽  
pp. 39082-39088
Author(s):  
S. Zhao ◽  
J. H. Li ◽  
S. M. An ◽  
S. N. Li ◽  
B. X. Liu
Keyword(s):  
Monte Carlo ◽  
Metallic Glass ◽  
Monte Carlo Simulations ◽  
Glass Formation ◽  
Interatomic Potential ◽  
System P

Based on the constructed realistic interatomic potential, the favored compositions of the Ca–Mg–Cu metallic glass are well predicted by Monte Carlo simulations.

Computation assisted design of favored composition for ternary Mg–Cu–Y metallic glass formation

2015 ◽  
Vol 17 (22) ◽  
pp. 14879-14889 ◽  
Author(s):  
Q. Wang ◽  
J. H. Li ◽  
B. X. Liu
Keyword(s):  
Metallic Glass ◽  
Glass Formation ◽  
Interatomic Potential ◽  
Glass Forming Ability ◽  
Glass Forming ◽  
System P

The authors employed the constructed Mg–Cu–Y interatomic potential as the starting base and established a relevant atomistic computation/simulation route to assist the design of favored and even optimized compositions and to elucidate the structural origin of glass forming ability in the Mg–Cu–Y system.

Bulk metallic glass formation in Cu–Zr–Ti ternary system

2007 ◽  
Vol 353 (32-40) ◽  
pp. 3425-3428 ◽  
Author(s):  
Qing Wang ◽  
Jianbing Qiang ◽  
Yingmin Wang ◽  
Junhai Xia ◽  
Chuang Dong
Keyword(s):  
Metallic Glass ◽  
Ternary System ◽  
Bulk Metallic Glass ◽  
Glass Formation

Interatomic potential to predict the binary metallic glass formation

2010 ◽  
Vol 25 (5) ◽  
pp. 976-981 ◽  
Author(s):  
Baixin Liu ◽  
Jiahao Li ◽  
Wensheng Lai
Keyword(s):  
Metallic Glass ◽  
Glass Formation ◽  
Composition Range ◽  
Interatomic Potential ◽  
Thermodynamic Characteristics ◽  
Crystalline Lattice ◽  
Interatomic Potentials ◽  
Glass Forming ◽  
Binary Metal ◽  
Dynamics Simulations

Interatomic potentials are constructed for eight representative binary metal systems covering various structural combinations and thermodynamic characteristics. On the basis of the constructed interatomic potentials, molecular dynamics simulations reveal that the physical origin of metallic glass formation is the crystalline lattice collapsing while solute atoms are exceeding the critical value, thus determining two critical solid solubilities for the system. For a binary metal system, the composition range bounded by the two determined critical solid solubilities is therefore defined as its intrinsic glass-forming range, or quantitative glass-forming ability.

Atomistic approach to design favored compositions for the ternary Al–Mg–Ca metallic glass formation

RSC Advances ◽  
2015 ◽  
Vol 5 (113) ◽  
pp. 93623-93630 ◽  
Author(s):  
S. Zhao ◽  
J. H. Li ◽  
J. B. Liu ◽  
S. N. Li ◽  
B. X. Liu
Keyword(s):  
Metallic Glass ◽  
Metallic Glasses ◽  
Glass Formation ◽  
Interatomic Potential

An interatomic potential was constructed and applied to design favoured compositions for the ternary Al–Mg–Ca metallic glasses formation.

Enhancing bulk metallic glass formation in Ni–Nb–Sn-based alloys via substitutional alloying with Co and Hf

2008 ◽  
Vol 23 (3) ◽  
pp. 688-699 ◽  
Author(s):  
Li Zhang ◽  
Mu-Jin Zhuo ◽  
Jian Xu
Keyword(s):  
Metallic Glass ◽  
Ternary System ◽  
Metallic Glasses ◽  
Glass Formation ◽  
Composition Range ◽  
Glass Forming Ability ◽  
Partial Substitution ◽  
Wide Composition Range ◽  
Positive Effects ◽  
Glass Forming

Bulk metallic glasses have been formed over a fairly wide composition range (54–62 at.% Ni, 32–36 at.% Nb, and 3–11 at.% Sn) in the Ni–Nb–Sn ternary system. Partial substitution of Co for Ni and Hf for Nb improves the glass-forming ability, eventually leading to 4 mm glassy rods at the Ni56Co3Nb28Hf8Sn5 composition. The positive effects of these alloying elements have been explained based on a systematic monitoring of the amount and morphology of the competing crystalline phases as a function of the Co and Hf contents.

Doubling the Critical Size for Bulk Metallic Glass Formation in the Mg–Cu–Y Ternary System

2005 ◽  
Vol 20 (9) ◽  
pp. 2252-2255 ◽  
Author(s):  
H. Ma ◽  
Q. Zheng ◽  
J. Xu ◽  
Y. Li ◽  
E. Ma
Keyword(s):  
Metallic Glass ◽  
Ternary System ◽  
Bulk Metallic Glass ◽  
Glass Formation ◽  
Composition Dependence ◽  
Critical Size ◽  
Glass Forming Ability ◽  
Glass Forming ◽  
Copper Mold Casting ◽  
Mold Casting

Mg−Cu−Y alloys with optimal glass forming ability have been found at off-eutectic compositions. The critical size for bulk metallic glass formation at the pinpointed compositions more than doubles that of the previously discovered eutectic Mg65Cu25Y10 alloy, leading to fully glassy rods with near-centimeter diameters in the ternary system upon copper mold casting. The result is a striking demonstration of the strong composition dependence of the glass forming ability, as well as of the need to scrutinize off-eutectic compositions. The implications of the discovery are discussed.

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