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Computational studies of the glass-forming ability of model bulk metallic glasses
- Publication Year :
- 2013
- Publisher :
- arXiv, 2013.
-
Abstract
- Bulk metallic glasses (BMGs) are produced by rapidly thermally quenching supercooled liquid metal alloys below the glass transition temperature at rates much faster than the critical cooling rate R_c below which crystallization occurs. The glass-forming ability of BMGs increases with decreasing R_c, and thus good glass-formers possess small values of R_c. We perform molecular dynamics simulations of binary Lennard-Jones (LJ) mixtures to quantify how key parameters, such as the stoichiometry, particle size difference, attraction strength, and heat of mixing, influence the glass-formability of model BMGs. For binary LJ mixtures, we find that the best glass-forming mixtures possess atomic size ratios (small to large) less than 0.92 and stoichiometries near 50:50 by number. In addition, weaker attractive interactions between the smaller atoms facilitate glass formation, whereas negative heats of mixing (in the experimentally relevant regime) do not change R_c significantly. These studies represent a first step in the development of computational methods for quantitatively predicting glass-formability.<br />Comment: 8 pages, 9 figures
- Subjects :
- Materials science
General Physics and Astronomy
Thermodynamics
FOS: Physical sciences
02 engineering and technology
Entropy of mixing
Condensed Matter - Soft Condensed Matter
01 natural sciences
Condensed Matter::Disordered Systems and Neural Networks
law.invention
law
0103 physical sciences
Physical and Theoretical Chemistry
Crystallization
010306 general physics
Supercooling
Quenching
Condensed Matter - Materials Science
Amorphous metal
Materials Science (cond-mat.mtrl-sci)
Orders of magnitude (numbers)
021001 nanoscience & nanotechnology
Condensed Matter::Soft Condensed Matter
Atomic radius
Soft Condensed Matter (cond-mat.soft)
0210 nano-technology
Glass transition
Subjects
Details
- Database :
- OpenAIRE
- Accession number :
- edsair.doi.dedup.....beed9b934aa53d3b4ce69eea55948c32
- Full Text :
- https://doi.org/10.48550/arxiv.1305.0971