Molecular dynamics method is used to investigate the displacement cascades in Ni-Mo binary alloy. Effects of the irradiation temperature, energy of the primary knock-on atoms and concentration of solute Mo atoms are t...Molecular dynamics method is used to investigate the displacement cascades in Ni-Mo binary alloy. Effects of the irradiation temperature, energy of the primary knock-on atoms and concentration of solute Mo atoms are taken into consideration on radiation damage to the Ni-Mo alloy. It is found that Mo atoms reduce production of the Frenkel pairs at 100 K, while they enhance defect production at 300 K and 600 K. Size of the largest defect clusters decreases with increasing concentrations of Mo atoms(C_(Mo)) at 100 K, but it increases with CMo at 300 K and 600 K. Most of the point defects get clustered in cascades leaving only a few vacancies and interstitials isolated.展开更多
In the smoothed particle hydrodynamics (SPH) method, a meshless interpolation scheme is needed for the unknown function in order to discretize the governing equation.A particle approximation method has so far been use...In the smoothed particle hydrodynamics (SPH) method, a meshless interpolation scheme is needed for the unknown function in order to discretize the governing equation.A particle approximation method has so far been used for this purpose.Traditional particle interpolation (TPI) is simple and easy to do, but its low accuracy has become an obstacle to its wider application.This can be seen in the cases of particle disorder arrangements and derivative calculations.There are many different methods to improve accuracy, with the moving least square (MLS) method one of the most important meshless interpolation methods.Unfortunately, it requires complex matrix computing and so is quite time-consuming.The authors developed a simpler scheme, called higher-order particle interpolation (HPI).This scheme can get more accurate derivatives than the MLS method, and its function value and derivatives can be obtained simultaneously.Although this scheme was developed for the SPH method, it has been found useful for other meshless methods.展开更多
基金Supported by the Strategic Leading Science&Technology Program of the Chinese Academy of Sciences(No.XD02004140)National Natural Science Foundation of China(Nos.51371080 and 11076012)Fundamental Research Funds for the Central Universities,Hunan University
文摘Molecular dynamics method is used to investigate the displacement cascades in Ni-Mo binary alloy. Effects of the irradiation temperature, energy of the primary knock-on atoms and concentration of solute Mo atoms are taken into consideration on radiation damage to the Ni-Mo alloy. It is found that Mo atoms reduce production of the Frenkel pairs at 100 K, while they enhance defect production at 300 K and 600 K. Size of the largest defect clusters decreases with increasing concentrations of Mo atoms(C_(Mo)) at 100 K, but it increases with CMo at 300 K and 600 K. Most of the point defects get clustered in cascades leaving only a few vacancies and interstitials isolated.
基金Supported by the National Natural Science Foundation of China under Grant No.10572041,50779008Doctoral Fund of Ministry of Education of China under Grant No.20060217009
文摘In the smoothed particle hydrodynamics (SPH) method, a meshless interpolation scheme is needed for the unknown function in order to discretize the governing equation.A particle approximation method has so far been used for this purpose.Traditional particle interpolation (TPI) is simple and easy to do, but its low accuracy has become an obstacle to its wider application.This can be seen in the cases of particle disorder arrangements and derivative calculations.There are many different methods to improve accuracy, with the moving least square (MLS) method one of the most important meshless interpolation methods.Unfortunately, it requires complex matrix computing and so is quite time-consuming.The authors developed a simpler scheme, called higher-order particle interpolation (HPI).This scheme can get more accurate derivatives than the MLS method, and its function value and derivatives can be obtained simultaneously.Although this scheme was developed for the SPH method, it has been found useful for other meshless methods.
