Simulation Techniques in the Research of Structure and Performance of Nanosized Materials

Due to their unique structure and performance, great attention to nanosized materials has increased in past years. Advanced information and simulation technologies provide an understanding of nanosized materials at the atomic scale with an unprecedented level of detail and accuracy and make nanosized materials design and performance prediction possible. Computer simulation theory and methods in the research of nanosized materials are summarized. The progress in computer simulation of nanosized materials, especially their mircostructure, mechanical, thermodynamic, electric, magnetic properties, is discussed in detailed. Some basic problems in structure and performance research of nanosized materials are also elaborated.