Perspectives research of processes at blast furnace slag formation with method of molecular dynamics using computer simulations

摘要

Constant changes in raw material base, the use of dynamically developing modern units along with the traditional and well-established (blast furnace) ones, appearance and use of new ways to influence the melt often lead to a significant reduction in reliability of usual methods, which have been accumulated with experience to improve the efficiency of iron and steel equipment. There is often no systematic approach to the study of properties and behavior of the steel melt - liquid waste, metals and their alloys. Development of information and computer technology makes it possible to gain new knowledge in the field of comprehensive studies of properties of metallurgical melts and their behavior under specific conditions of the given external actions. Of particular interest are the processes occurring in real steel melts. Using high-performance computing clusters at simulation of melt structure with the molecular dynamics method enables not only to acquire new knowledge of physical, chemical and mechanical properties, but also to conduct a study of complex multicomponent systems comprising atoms of transition elements, which synergy in the melt does not allow taking into account other methods. The paper deals with theoretical challenges at study of high-temperature melts and the most suitable methods for their solutions using modern computer technology.