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Effects of Si solute on the glass formation and atomic structure of Pd liquid
- Source :
- Journal of Physics: Condensed Matter. 31:135701
- Publication Year :
- 2019
- Publisher :
- IOP Publishing, 2019.
-
Abstract
- Molecular dynamics simulations were performed to study the effects of Si solute on the glass formation and crystallization of Pd liquid. Pure Pd sample prepared by quenching process with cooling rate of $10^{13}$ K/s can be in an amorphous state but the structural analysis indicates there is nearly no glass-forming motif in the sample. However, doping a small amount Si (Si concentration ~ 4%) the sample can be vitrified at a cooling rate of $10^{12}$ K/s. The glass-forming motifs such as Pd-centered Z13, Si-centered Z9-like and Mixed-ICO-Cube clusters with 5-fold local symmetry are found to be the dominant short-range orders in the glassy samples. With the increasing of the Si-doping concentration, these glass-forming motifs tend to aggregate and connect with each other forming a network structure. Our calculated results revealed that Si solutes in liquid Pd can significantly enhance the glass-forming ability.
- Subjects :
- Analytical chemistry
FOS: Physical sciences
Network structure
02 engineering and technology
Condensed Matter::Disordered Systems and Neural Networks
01 natural sciences
law.invention
Molecular dynamics
Local symmetry
law
Mesoscale and Nanoscale Physics (cond-mat.mes-hall)
0103 physical sciences
General Materials Science
Crystallization
010306 general physics
Quenching
Physics
Condensed Matter - Materials Science
Condensed Matter - Mesoscale and Nanoscale Physics
Doping
Materials Science (cond-mat.mtrl-sci)
021001 nanoscience & nanotechnology
Condensed Matter Physics
Amorphous solid
Condensed Matter::Soft Condensed Matter
Cooling rate
0210 nano-technology
Subjects
Details
- ISSN :
- 1361648X and 09538984
- Volume :
- 31
- Database :
- OpenAIRE
- Journal :
- Journal of Physics: Condensed Matter
- Accession number :
- edsair.doi.dedup.....13196a5e50797143f14d2bffb674589d