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.

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.

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.

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.

Structure of Cu64.5Zr35.5 metallic glass by reverse Monte Carlo simulations

2014 ◽  
Vol 115 (5) ◽  
pp. 053522 ◽  
Author(s):  
X. W. Fang ◽  
Li Huang ◽  
C. Z. Wang ◽  
K. M. Ho ◽  
Z. J. Ding
Keyword(s):  
Monte Carlo ◽  
Metallic Glass ◽  
Monte Carlo Simulations ◽  
Reverse Monte Carlo

Low-voltage EDS of magnesium ferrite Dendrites in a FEG-SEM

1996 ◽  
Vol 54 ◽  
pp. 478-479
Author(s):  
Matthew T. Johnson ◽  
Ian M. Anderson ◽  
Jim Bentley ◽  
C. Barry Carter
Keyword(s):  
Monte Carlo ◽  
Quantitative Analysis ◽  
Monte Carlo Simulations ◽  
Cross Section ◽  
Spatial Resolution ◽  
Low Voltage ◽  
Magnesium Ferrite ◽  
X Ray ◽  
Interaction Volume ◽  
Ferrite Spinel

Energy-dispersive X-ray spectrometry (EDS) performed at low (≤ 5 kV) accelerating voltages in the SEM has the potential for providing quantitative microanalytical information with a spatial resolution of ∼100 nm. In the present work, EDS analyses were performed on magnesium ferrite spinel [(MgxFe1−x)Fe2O4] dendrites embedded in a MgO matrix, as shown in Fig. 1. spatial resolution of X-ray microanalysis at conventional accelerating voltages is insufficient for the quantitative analysis of these dendrites, which have widths of the order of a few hundred nanometers, without deconvolution of contributions from the MgO matrix. However, Monte Carlo simulations indicate that the interaction volume for MgFe2O4 is ∼150 nm at 3 kV accelerating voltage and therefore sufficient to analyze the dendrites without matrix contributions.Single-crystal {001}-oriented MgO was reacted with hematite (Fe2O3) powder for 6 h at 1450°C in air and furnace cooled. The specimen was then cleaved to expose a clean cross-section suitable for microanalysis.

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