Development of Molecular Dynamics and Research Progress in the Study of Slag.

Molecular dynamics is a method of studying microstructure and properties by calculating and simulating the movement and interaction of molecules. The molecular dynamics simulation method has become an important method for studying the structural and dynamic characteristics of slag systems and can make up for the shortcomings of existing detection methods and experiments. Firstly, this paper analyzes the development process and application fields of molecular dynamics, summarizes the general simulation steps and software algorithms of molecular dynamics simulation methods, and discusses the advantages and disadvantages of the algorithms and the common functions of the software. Secondly, the research status and application progress of molecular dynamics simulation methods in the study of phosphate, silicate, aluminate and aluminosilicate are introduced. On this basis, a method of combining molecular dynamics simulation with laboratory experiments is proposed, which will help obtain more accurate simulation results. This review provides theoretical guidance and a technical framework for the effective analysis of the microstructure of different slag systems via molecular dynamics, so as to finally meet the needs of iron and steel enterprises in producing high-quality steel grades.

Nitriding Behaviour and Microstructure of High-Nitrogen Stainless Steel during Selective Laser Melting.

High-nitrogen stainless steels are widely used due to their excellent comprehensive performance. In this study, the effects of process parameters (laser power, scanning speed, and cavity pressure) on the formation of high-nitrogen stainless steels were studied by using conventional selective laser melting and high-pressure selective laser melting (HPSLM). The nitrogen content, nitrogen emission, phase composition, microstructure, and microhardness of the high-nitrogen stainless steel samples obtained through selective laser melting (SLM) were analysed by using an oxygen/nitrogen/hydrogen analyser, X-ray diffraction, scanning electron microscopy, energy-dispersive X-ray spectroscopy, and electron backscatter diffraction. The results showed that the maximum nitrogen emission in the SLM sample was 0.175 wt.%, the emission rate reached up to 54.7%, and the maximum nitrogen content in the HPSLM sample was 1.07 wt.%. There was no significant difference between the phase peak positions of the SLM samples with different laser powers and the original powder. The main phase of the HPSLM sample changed at 0.3 MPa (from α-Fe to γ-Fe phase); the microstructure of the SLM sample was mainly composed of columnar and cellular crystals, and columnar crystal bands formed along the direction of heat flow. The HPSLM sample was mainly composed of equiaxed crystals with a grain size of 10-15 µm. At an energy density of 136 J/mm3, the microhardness and relative density reached their peak values of 409 HV and 98.85%, respectively.