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.
Atomic structure and transport properties of Cu50Zr45Al5 metallic liquids and glasses: Molecular dynamics simulations
Rent:
Rent this article for
USD
10.1063/1.3658252
/content/aip/journal/jap/110/9/10.1063/1.3658252
http://aip.metastore.ingenta.com/content/aip/journal/jap/110/9/10.1063/1.3658252

Figures

Image of FIG. 1.
FIG. 1.

(Color online) The evolution of the potential energy of the Cu50Zr45Al5 system as a function of temperature during cooling. The inset is a snapshot of the simulation box at 300 K. Large, medium and small atoms represent Zr, Al, and Cu atoms, respectively.

Image of FIG. 2.
FIG. 2.

(Color online) The (a) linear CTE and (b) heat capacities of Cu50Zr45Al5 metallic liquids and glasses. The insets of (a) and (b) show the evolution of the box length and enthalpy during cooling, respectively.

Image of FIG. 3.
FIG. 3.

(Color online) The total PCFs of Cu50Zr45Al5 metallic liquids and glasses (from 2000 to 300 K). For clarity, an offset of 0.1 among the curves was employed.

Image of FIG. 4.
FIG. 4.

(Color online) The partial PCFs of Cu50Zr45Al5 metallic liquids and glass (from 2000 to 300 K), including (a) Zr-Zr, (b) Cu-Cu, (c) Al-Al, (d) Cu-Zr, (e) Zr-Al, and (f) Cu-Al. For clarity, an offset of 0.1 among the curves was employed.

Image of FIG. 5.
FIG. 5.

(Color online) The evolution of major VPs in Cu50Zr45Al5 metallic liquids and glass (from 2000 to 300 K) centered by (a) Cu, (b) Zr, and (c) Al atoms, respectively. Evolution of crystal-like clusters 〈0 6 0 8〉 is shown in (d).

Image of FIG. 6.
FIG. 6.

(Color online) Self-diffusion coefficients of Cu, Zr, and Al atoms in Cu50Zr45Al5 metallic liquids and glasses from 2000 to 500 K. The solid lines indicate the power law fits and linear fits, respectively.

Image of FIG. 7.
FIG. 7.

(Color online) The shear viscosity of the Cu50Zr45Al5 liquid from 2000 to 800 K calculated using EMD and RNEMD methods, respectively. The inset shows the evolution of viscosity as a function of simulation time using the EMD.

Image of FIG. 8.
FIG. 8.

(Color online) The relationship between diffusivity and shear viscosity of the Cu50Zr45Al5 metallic liquids from 2000 to 800 K, showing deviations from the Einstein-Stokes relation.

Image of FIG. 9.
FIG. 9.

(Color online) The relaxation time (symbols) as a function of temperature of the Cu50Zr45Al5 metallic liquids. Solid lines are the VFT fittings using Eq. (11). The inset shows the rates of the formation of the stable clusters.

Tables

Generic image for table
Table I.

The fitting parameters of the diffusivity of Cu50Zr45Al5 using the MCT power law and the Arrhenius relation.

Loading

Article metrics loading...

/content/aip/journal/jap/110/9/10.1063/1.3658252
2011-11-03
2014-04-18
Loading

Full text loading...

This is a required field
Please enter a valid email address
752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Atomic structure and transport properties of Cu50Zr45Al5 metallic liquids and glasses: Molecular dynamics simulations
http://aip.metastore.ingenta.com/content/aip/journal/jap/110/9/10.1063/1.3658252
10.1063/1.3658252
SEARCH_EXPAND_ITEM