The interaction mechanism of B and Ti in liquid Gd metal was theoretically analyzed,and the occurrence state transformation and removal of Ti impurity were experimentally analyzed in this study.The research results in...The interaction mechanism of B and Ti in liquid Gd metal was theoretically analyzed,and the occurrence state transformation and removal of Ti impurity were experimentally analyzed in this study.The research results indicated that the B additive reacted with the Ti impurity in liquid Gd metal to form the high-melting-point TiB_(2)at 1673 K.Owing to the low density of TiB_(2)that is far lower than that of Gd,TiB_(2)floated up to the liquid surface,and then,the Ti impurity could be effectively removed from Gd metal.Prolonging melting time and increasing B additive amount could increase Ti removal rate,but the increase in the rate slows beyond a certain duration and B content.The recommended operating parameter,melting time of 60 min and B additive content of 0.1394 wt%could reduce Ti content from 0.1534 wt%to 0.0433 wt%,and the removal rate was 71.9%.展开更多
The electronic and optical properties of 2D Cu_2Si and Cu_2Si:Ti are investigated based on the density functional theory(DFT) using the FP-LAPW method and GGA approximation. The 2D Cu_2Si has metallic and non magnetic...The electronic and optical properties of 2D Cu_2Si and Cu_2Si:Ti are investigated based on the density functional theory(DFT) using the FP-LAPW method and GGA approximation. The 2D Cu_2Si has metallic and non magnetic properties, whereas adding Ti impurity to its structure changes the electronic behavior to the half-metallic with 3.256μB magnetic moment. The optical transition is not occurred in the infrared and visible area for the 2D Cu_2Si in x-direction and by adding Ti atom, the real part of dielectric function in the x-direction, Re(ε(ω))_x is reached to a Dirac peak at this energy range. Moreover, the absorption gap tends to zero in x-direction of the 2D Cu_2Si:Ti.展开更多
基金financially supported by the National key research and development program of China(No.2017YFB0405901)the National Natural Science Foundation of China(No.51504036 and 51604033)。
文摘The interaction mechanism of B and Ti in liquid Gd metal was theoretically analyzed,and the occurrence state transformation and removal of Ti impurity were experimentally analyzed in this study.The research results indicated that the B additive reacted with the Ti impurity in liquid Gd metal to form the high-melting-point TiB_(2)at 1673 K.Owing to the low density of TiB_(2)that is far lower than that of Gd,TiB_(2)floated up to the liquid surface,and then,the Ti impurity could be effectively removed from Gd metal.Prolonging melting time and increasing B additive amount could increase Ti removal rate,but the increase in the rate slows beyond a certain duration and B content.The recommended operating parameter,melting time of 60 min and B additive content of 0.1394 wt%could reduce Ti content from 0.1534 wt%to 0.0433 wt%,and the removal rate was 71.9%.
基金Supported by Islamic Azad University,Kermanshah branch,Kermanshah,Iran
文摘The electronic and optical properties of 2D Cu_2Si and Cu_2Si:Ti are investigated based on the density functional theory(DFT) using the FP-LAPW method and GGA approximation. The 2D Cu_2Si has metallic and non magnetic properties, whereas adding Ti impurity to its structure changes the electronic behavior to the half-metallic with 3.256μB magnetic moment. The optical transition is not occurred in the infrared and visible area for the 2D Cu_2Si in x-direction and by adding Ti atom, the real part of dielectric function in the x-direction, Re(ε(ω))_x is reached to a Dirac peak at this energy range. Moreover, the absorption gap tends to zero in x-direction of the 2D Cu_2Si:Ti.
