The Molecular Dynamics Study Of Metallic Titanium Nanofabrication

In the nanometric cutting process of metallic titanium, the materials of workpiece hasbeen removed according to a number of discrete atoms or atomic layer. At this point thevarious phenomena and inherent mechanism which have been produced during the cuttingprocess have been difficult to be explained by the traditional theory of continuum mechanicsof cutting accurately. Currently, the nanometric cutting mechanism can be made a thoroughresearch by molecular dynamics method on the atomic scale. This simulation method basedon the molecular dynamics has been used to study the nanometric cutting process of metallictitanium in this paper.Firstly, the present situation and future development of molecular dynamics simulationhave been reviewed comprehensively in this paper. The basic idea and theoretical foundationof molecular dynamics have been discussed. The methods of computation, integral algorithmof position, step selection, accelerated algorithm of the interatomic forces have been analyzed.The nanometric cutting molecular dynamics model of metallic titanium has been built, and thesimulation program has been developed.Secondly, the reasonable cutting conditions can be determined by the titanium atomicmodel which has been built. The relaxation analysis could be used in this model. The potentialenergy curve of this system in the process of relaxation has been obtained and the reasonablerelaxation time has been determined.Thirdly, the molecular dynamics simulation of nanometric cutting of metallic titaniumhas been done through the simulation program which has been developed. The materialremoval phenomenon and the formation process of the machined surface during the cuttingprocess have been studied. The changes of the potential energy of this system, thecutting force and the temperature of the workpiece during the cutting process have beenanalyzed.Finally, the nanometric cutting process of metallic titanium has been researched by changing the cutting parameters and conditions, such as the cutting depth, cutting speed,radius of cutting edge and tool rake angle and so on. The cutting mechanism and variation ofthe metallic titanium’s nanometric cutting process have been analyzed from the instantaneouspositions of atoms, the potential energy between titanium atoms, cutting force, thetemperature, shape and structure of the workpiece during the cutting process.