Liquid nucleation of surface-free crystal from nanovoids

Li, H.; Wen, Zi; Jiang, Q.

doi:10.1016/j.ssc.2008.06.004

Cited by 7 publications

(13 citation statements)

References 14 publications

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“…According to our research, if the radius of a nanovoid decreases to a small value, when the nucleate condition could be satisfied (the NM mechanism is dominant at that size), the nucleated liquid atoms will overcome the volume Gibbs free energy change, the interface free energy, and the elastic energy change deduced by interface stress. 17 In the following, we will use a model to explain this in detail.…”

Section: Thermodynamic Criteria For Two Mechanisms Of Void Meltingmentioning

confidence: 99%

“…According to Li's model, 17 liquid will nucleate on the surface of the void. As shown in Figure 10, for a void with radius r, the liquid layer results in a solid−liquid interface (curvature radius is r c ) and a liquid−vapor interface (curvature radius is r l ).…”

Section: Thermodynamic Criteria For Two Mechanisms Of Void Meltingmentioning

confidence: 99%

“…As shown in Figure , for a void with radius r , the liquid layer results in a solid–liquid interface (curvature radius is r c ) and a liquid–vapor interface (curvature radius is r l ). Then the Gibbs free energy Δ G is where Δ G v , Δ G s , and Δ G e are the Gibbs free energy variations induced from volume change, interface, and interface stress, respectively. V ms and V ml are the solid molar volume and liquid molar volume, respectively.…”

Section: Thermodynamic Criteria For Two Mechanisms Of Void Meltingmentioning

confidence: 99%

“…Agrawal et al 2 show that the void melting depends on void size, almost independent of void shape. Lu 16 and Li 17 have established thermodynamic models to explain the melting of nanovoids considering the surface energy. According to their theories, the surface energy of nanovoids increases with a decrease of size and finally reaches a plateau at a critical nanovoid size.…”

Section: Introductionmentioning

confidence: 99%

“…The most exciting thing we found is that the two mechanisms can be unified based on surface melting theory. 17,25 This paper is organized as follows: section 2 gives the details of simulation; 26 section 3 shows the results of void melting in Pd and Si (the two refers to two different melting mechanisms, respectively); section 4 gives the thermodynamics considering void melting, which unifies the two mechanisms; and the conclusions are made in section 5.…”

Section: Introductionmentioning

confidence: 99%

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Unification of Two Different Melting Mechanisms of Nanovoids

2015

J. Phys. Chem. C

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Void melting in solids is a very complicated process, while the mechanism is far from understood. In this paper, we studied the void melting in Pd and Si solids using a molecular dynamics simulation method. It is found that there exist two different melting mechanisms for nanovoid, nucleation melting and non-nucleation melting; although void melting in Pd follows the former mechanism, that in Si follows the latter (unless the nanovoid size decreases to a critically small value). For nucleation melting, there will be liquid nucleate at the surface of the nanovoid, and then the liquid fills the void before the temperature reaches the melting point of the solids. For nonnucleation melting, there will be local stiffening around the nanovoid, and the nanovoid always exists until the whole matrix comes to melt. For these two different melting mechanisms, the inner surface atoms will behave totally differently. We find the most exciting thing to be that the two mechanisms can be well unified based on surface melting theory. Furthermore, it is predicted that when the nanovoid decreases to a critical value the matrix solid may be superheated, which agrees well with the simulation of void melting in Pd and Si solid.

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Section: Thermodynamic Criteria For Two Mechanisms Of Void Meltingmentioning

confidence: 99%

Section: Thermodynamic Criteria For Two Mechanisms Of Void Meltingmentioning

confidence: 99%