几种纳米材料相变的尺寸效应-物理学专业论文.docxVIP

湘潭大学硕士学位论文 湘潭大学硕士学位论文 II II Abstract With the size reduction down to nanometer scale, owing to the small size effect, quantum confinement effect and surface and interface effect, many physical and chemical properties of a solid, such as thermodynamic, electric, magnetic, optic, and catalytic performance expose novel properties that are different from bulk materials. Although the classical approaches such as thermodynamics and molecular dynamics theory can study the size effect on the properties of various nanomaterials, both encounter some difficulties, for instance, without building a whole physical mechanism for nanomaterials. Due to the large ratio of undercoordinated surface atoms and ite interaction, nanomaterials are thus different than corresponding bulk materials and single atom. According to the Bond Order-Length-Strength correlation (BOLS), if one bond breaks, the remainder between the undercoordinated atoms become shorter and stronger, the BOLS is one important point of explaining the physical mechanism of novel performance of nanomaterials Utilizing the BOLS correlation and Local Bond Average approach (LBA), this thesis focuses on the size effect on the phase transition temperature and pressure of several nanomaterias, major progress are followed: For the phase transition temperature is proportional the atom cohesive energy, we report the modeling of the finite size effect on the two phase transition (the order-disorder phase transition of FePt, FePb, CoPt nanoparticles and the solid-solid phase transition of Cu2S and ZnS nanosolids) in the nanometer scale from the perspective of the BOLS correlation. Consistency between the theory predictions and the measured size dependence of the phase transition temperature of two type nanostructures clarify that: i) the phase transition temperature is intrinsically proportional to the mean cohesive energy of atoms for nanocrystals; ii) undercoordination atoms at sites surrounding atomic defects and at the surface in