Bai Xian-Ming, Li Mo
School of Materials Science and Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0245, USA.
Nano Lett. 2006 Oct;6(10):2284-9. doi: 10.1021/nl0617282.
Melting in solids containing nanovoids is studied via molecular dynamics simulation, and the finite size effects are treated with different size systems. For the first time, we have found four typical stages in void melting that are different from the melting of bulk materials and nanoparticles. Melting in each of the stages is governed by the interplay among different thermodynamic mechanisms arising from the changes in the interfacial free energies, the curvature of the interface, and the elastic energy induced by the density change at melting. As a result, the local melting temperatures show a strong dependence on the void size, which is the root cause of the observed complex hierarchical melting sequence.
通过分子动力学模拟研究了含纳米孔洞固体中的熔化现象，并采用不同尺寸的系统来处理有限尺寸效应。首次发现了孔洞熔化中不同于块体材料和纳米颗粒熔化的四个典型阶段。每个阶段的熔化都由界面自由能变化、界面曲率以及熔化时密度变化引起的弹性能所产生的不同热力学机制之间的相互作用所控制。因此，局部熔化温度对孔洞尺寸有很强的依赖性，这是观察到的复杂分层熔化序列的根本原因。
