Abstract:Expert systems have been used widely in the predictions and design of alloy systems. But the expert systems are based on the macroscopic models that have no physical meanings. Microscopic molecular dynamics is also a standard computational technique used in materials science. An approach is presented to the design system of nonferrous alloy that integrates the molecular dynamical simulation together with an expert system. The knowledge base in the expert system is able to predict nonferrous alloy properties by using machine learning technology. The architecture of the system is presented.

Key words: nonferrous alloy; molecular dynamics; machine learning; expert system