In many ways the prospects of industry in Russian Federation are determined by the implementation of the National technological initiative which aims to create a new economy within the “Industry 4.0” concept. Considering the prospects of development of the domestic industry for the next decades, it should be noted that today the corresponding process in many respects is defined by the realization of the National Technological Initiative (NTI). The analysis of the NTI structure shows that one of the major directions of such development would be the implementation of advanced manufacturing technologies and the creation of the Future Factories. A preliminary literature overview in the respective area has shown that most of the studies consider the questions of product design as a basic part of product lifecycle. At the same time there is a lack of methodological developments in the area of design of technological processes within advanced manufacturing systems. For this reason, it is important to investigate the development of instruments for justification of manufacturing systems functioning within the «Industry 4.0» concept. We have offered to use the advanced paradigms of imitating modeling, the discrete, the event and the agent, for the description of basic and auxiliary processes realized in production systems. We have determined the main requirements for the processing of manufacturing systems. Comparing such requirements with the specifics of the existing approaches to organizational design of manufacturing systems provided a basis for concluding that the simulation modeling approach is effective. The justification of the technological process parameters by using simulation modeling is substantiated, the main principles are defined.