1887
banner image
No data available.
Please log in to see this content.
You have no subscription access to this content.
No metrics data to plot.
The attempt to load metrics for this article has failed.
The attempt to plot a graph for these metrics has failed.
Recrystallization of picosecond laser-melted ZnO nanoparticles in a liquid: A molecular dynamics study
Rent:
Rent this article for
USD
10.1063/1.3407438
/content/aip/journal/jcp/132/16/10.1063/1.3407438
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/16/10.1063/1.3407438

Figures

Image of FIG. 1.
FIG. 1.

Equilibrium structure of the computing model. is applied to the outer region (outside of the dashed circle) which is far away from the particle center during the entire heating/cooling process.

Image of FIG. 2.
FIG. 2.

Time evolution of the temperature of two ZnO nanoparticles and tetradecane layers (particle radius 20 Å, heat power ). The dotted and dashed lines are the melting point of ZnO nanoparticle and the boiling point of bulk tetradecane , respectively.

Image of FIG. 3.
FIG. 3.

Snapshots of particle structure at typical timesteps for the case of two ZnO nanoparticles of radius 20 Å with heat power . Gray: Zn; red: O; cyan: C. (a) At the end of heating; (b) during sintering; (c) before the nanoparticle crystallizes ; (d) after crystallization ; and (e) final structure .

Image of FIG. 4.
FIG. 4.

Time evolution of the temperature of single ZnO nanoparticle and tetradecane layers. The “” denotes the temperature of three tetradecane layers near the particle surface. The dotted and dashed lines are the melting point of ZnO nanoparticle and the boiling point of bulk tetradecane, respectively.

Image of FIG. 5.
FIG. 5.

Time evolution of temperature profiles of ZnO-tetradecane system for the case of particle radius 20 Å and heat power . The inset shows the fit with continuum theory prediction (dashed lines).

Image of FIG. 6.
FIG. 6.

Interfacial thermal conductance between liquid/solid ZnO and tetradecane as a function of particle radius.

Image of FIG. 7.
FIG. 7.

Time evolution of the ratio of solidlike atoms in each layer for the case of particle radius 20 Å and heat power . Red line, first layer (innermost); black line, sixth layer (outermost). The number of layered atoms is normalized by the total number of atoms in each layer.

Image of FIG. 8.
FIG. 8.

Time evolution of gyration, radial position, and atom number of the biggest nucleus for the case of particle radius 20 Å and heat power . The atom number is normalized by the total number of atoms in the particle. The gyration and radial position use the left label and the atom number uses right label.

Image of FIG. 9.
FIG. 9.

Kinetic (top), potential (middle), and total energy (bottom) development of ZnO particle layers during cooling process for the case of particle radius 20 Å and heat power . The closed and open symbols are for regular and double interaction strength, respectively. Squares: (innermost); up triangles: ; down triangles: (outermost). All energies are normalized by the total number of ZnO atoms.

Image of FIG. 10.
FIG. 10.

Melting and solidification temperatures as a function of particle radius. Squares: melting temperature; up triangles: initiation solidification temperature; down triangles: completion solidification temperature. The dashed and solid lines are the MD calculated and experimental results of the melting temperature of bulk ZnO, respectively.

Image of FIG. 11.
FIG. 11.

Solidification initiation temperature as function of quench rate.

Image of FIG. 12.
FIG. 12.

Absolute change in energy during crystallization as a function of particle size. The change in the total energy characterizes latent heat of crystallization. During crystallization the decrease in the potential energy is more than the increase in the kinetic energy, thus the total energy decreases.

Image of FIG. 13.
FIG. 13.

Density profiles of tetradecane at typical timesteps for the case of particle radius 20 Å and heat power .

Image of FIG. 14.
FIG. 14.

Time evolution of the density of three tetradecane layers near the particle surface for the case of particle radius 20 Å and heat power .

Tables

Generic image for table
Table I.

Potential parameters used in MD simulations of ZnO-tetradecane.

Generic image for table
Table II.

Parameters fitted to diffusive heat flow equation.

Loading

Article metrics loading...

/content/aip/journal/jcp/132/16/10.1063/1.3407438
2010-04-26
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Recrystallization of picosecond laser-melted ZnO nanoparticles in a liquid: A molecular dynamics study
http://aip.metastore.ingenta.com/content/aip/journal/jcp/132/16/10.1063/1.3407438
10.1063/1.3407438
SEARCH_EXPAND_ITEM