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.

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.

Fabrication of ternary Mg–Cu–Gd bulk metallic glass with high glass-forming ability under air atmosphere

2003 ◽  
Vol 18 (7) ◽  
pp. 1502-1504 ◽  
Author(s):  
H. Men ◽  
D. H. Kim
Keyword(s):  
Metallic Glass ◽  
Cooling Rate ◽  
Bulk Metallic Glass ◽  
Glass Formation ◽  
Glass Forming Ability ◽  
Casting Method ◽  
Glass Forming ◽  
Air Atmosphere ◽  
Mold Casting ◽  
Order Of Magnitude

A new Mg65Cu25Gd10 alloy having significantly improved glass-forming ability (GFA) has been developed. In this article, we show that the ternary Mg65Cu25Gd10 bulk metallic glass with diameter of at least 8 mm can successfully be fabricated by a conventional Cu-mold casting method in air atmosphere. The critical cooling rate for glass formation was estimated on the order of magnitude of approximately 1 K/s. When compared with the GFA of Mg65Cu25Y10 alloy, the significantly improved GFA of Mg65Cu25Gd10 alloy cannot be explained by ΔTx and Trg values.

Metallic glass formation in Cu–Ni–Ti (Zr, Hf) systems studied by thermodynamic calculations

RSC Advances ◽  
2016 ◽  
Vol 6 (26) ◽  
pp. 21802-21807 ◽  
Author(s):  
Y. Y. Wang ◽  
Q. Wang ◽  
J. H. Li ◽  
B. X. Liu
Keyword(s):  
Metallic Glass ◽  
Size Effect ◽  
Glass Formation ◽  
Composition Dependence ◽  
Glass Forming Ability ◽  
Thermodynamic Calculations ◽  
Mixing Enthalpy ◽  
Atomic Size ◽  
Glass Forming ◽  
The Family

The glass formation regions for the family of Cu–Ni–Ti (Zr, Hf) systems have been calculated. The composition dependence of the glass forming ability was predicted and discussed in terms of the mixing enthalpy and atomic size effect.

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.

Room-Temperature Mechanical Properties and Glass Formation of Zr50Cu20Ni15Al(15-X)Tix (x=3, 5, 7) Bulk Metallic Glass Alloys

2011 ◽  
Vol 66-68 ◽  
pp. 741-746
Author(s):  
Jia Hua Zou ◽  
Zhi Chen Zhang ◽  
Shu Quan Sun
Keyword(s):  
Mechanical Properties ◽  
Metallic Glass ◽  
Bulk Metallic Glass ◽  
Metallic Glasses ◽  
Glass Formation ◽  
Room Temperature ◽  
Glass Forming Ability ◽  
Glass Forming ◽  
Ti Content ◽  
Ti Addition

In the present study, the Zr-Cu-Ni-Al based bulk metallic glasses with different Ti addition was successfully prepared by suction casting . It was found that the glass forming ability was improved with increasing of Ti content from 3 at.% to 7 at.%. However, with increasing of Ti content, the room-temperature plasticity decreased from 4.33% to 0.66 %.

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.

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.

Effect of Compositional Short Range Order on Glass Formation in Binary Metallic System

2002 ◽  
Vol 754 ◽  
Author(s):  
Hao Chen ◽  
Mahadevan Khantha ◽  
Takeshi Egami
Keyword(s):  
Glass Transition ◽  
Metallic Glass ◽  
Bulk Metallic Glass ◽  
Glass Formation ◽  
Short Range ◽  
Short Range Order ◽  
Glass Forming Ability ◽  
Range Order ◽  
Dynamics Simulation ◽  
Glass Forming

ABSTRACTMolecular Dynamics simulation was carried out to study the glass transition and crystallization in the metal-metalloid binary system with pair-wise potentials. The results show that a repulsive potential between metalloid (small) atoms increases the glass forming ability. The observation is consistent with the recent theory of bulk metallic glass formation through local glass transition and nano-glass formation. The theory predicted that the compositional short-range order (CSRO) prevents the small atom pairing so as to increase the glass forming ability (GFA). The present results demonstrate the important role of CSRO in bulk metallic glass formation.

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