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Formation and description of nano-clusters formed during rapid solidification processes in liquid metals

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TLDR
In this article, a molecular dynamics simulation study for a large-scale system consisting of 400,000 atoms of liquid metal Al has been performed to understand the formation mechanism of nano-clusters during rapid solidification process in liquid metals.
Abstract
In order to understand the formation mechanism of nano-clusters during rapid solidification process in liquid metals, a molecular dynamics (MD) simulation study for a large-scale system consisting of 400 000 atoms of liquid metal Al has been performed. To describe the clusters, especially the nano-clusters formed in the system during rapid solidification processes, a cluster-type index method (CTIM) has been proposed. It is demonstrated that the nano-clusters (such as containing 150 atoms) are formed by combining some middle clusters and they sharply differ from those obtained by gaseous deposition, ionic spray methods and so on. Though the nano-clusters have different shapes, they all have the corners that can be starting points of dendrite growth in solidification processes in liquid metals.

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Citations
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Molecular dynamics simulation for cooling rate dependence of solidification microstructures of silver

TL;DR: In this paper, a molecular dynamics simulation study has been performed to investigate the solid microstructures of Ag at room temperature resulted from rapid solidification with six cooling rates by using Quantum Sutton-Chen (QSC) many body potential.
Journal ArticleDOI

Formation and magic number characteristics of clusters formed during solidification processes

TL;DR: In this paper, a molecular dynamics simulation study has been performed for a large-sized system consisting of 10 6 liquid metal atoms to investigate the formation and magic number characteristics of various clusters formed during solidification processes.
Journal ArticleDOI

On the microstructure of the Cu65Zr35 and Cu35Zr65 metallic glasses

TL;DR: In this paper, the microstructure of metallic glasses (MGs) was investigated and it was found that the systems consist of small touching and/or interpenetrating icosahedral-like clusters that obey a simple rule, which is dictated from the system's composition, eventually yielding a micro-structured of polyicosahedral clusters that follow a specific sequence of magic numbers.
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Size dependence and phase transition during melting of fcc-Fe nanoparticles: A molecular dynamics simulation

TL;DR: In this paper, an energy minimization process was employed to obtain the stable solid structure for simulation of melting, and two different inner structures, including fivefold twinning and lamellar structures were found to be the initial stable configurations prior to melting.
References
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Journal ArticleDOI

Molecular dynamics study of melting and freezing of small Lennard-Jones clusters

TL;DR: In this paper, the properties of small clusters of Lennard-Jones atoms were studied by using molecular dynamics simulations, and it was found that these clusters undergo a transition, analogous to a melting transition for bulk materials, from a low-energy solidlike structure at low temperatures to a set of higher energy liquidlike structures at high temperatures.
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Electrical transport studies of Ag nanoclusters embedded in glass matrix

TL;DR: In this article, temperature-dependent resistivity measurements of the irradiated samples have been found to follow ρ ( T )∝exp√( T 0 / T ) in the temperature range of 80 −280 K. The observed behaviour of ρ T is consistent with charge transport due to hopping between isolated, conducting islands.
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Icosahedral order and defects in metallic liquids and glasses

TL;DR: Molecular-dynamics simulations of 500 particles have been performed to study the icosahedral order and the defects in the supercooled liquid and glass states of metallic metals, finding the physical picture of liquids and glasses being a disordered, entangled array of +72\ ifmmode^\circ\else\textdegree\fi{} and -72\ifmmode ^\ Circ\else\) disclination lines in an icosahedron medium.
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Structure and electrical resistivities of liquid binary alloys

TL;DR: In this article, the authors extended the self-consistent energy-independent model pseudopotential theory, developed previously for the binary allows of simple metals, to the calculation of the interionic pair potentials in the K-Rb, Na-K and Na-Cs liquid alloys for a number of different concentrations.
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