Since 1980’s,life science has been holding a prominent place in the development ofscience and it is expected to become one of the leading disciplines in the 21 century.Currently the development of life science presen...Since 1980’s,life science has been holding a prominent place in the development ofscience and it is expected to become one of the leading disciplines in the 21 century.Currently the development of life science presents the following characteristics:1.The understanding of life was deepened to the molecule level.展开更多
A kind of hybrid membrane process, which integrated powdered activated carbon (PAC) with membrane bioreactor (MBR), was designed for bench scale experiment for micro-polluted surface water treatment. Molecular weight ...A kind of hybrid membrane process, which integrated powdered activated carbon (PAC) with membrane bioreactor (MBR), was designed for bench scale experiment for micro-polluted surface water treatment. Molecular weight analysis was used to evaluate the efficiency of each unit process and the integration of them. The result of analysis indicated that organic molecules in the treated water from PAC-MBR process were concentrated on the section of below 1000, while PAC adsorption could enhance the removal efficiency of this section due to the high percent of biodegradation recalcitrant organic matter with low molecular weight. It was demonstrated that PAC adsorption and biological treatment promoted each other in PAC-MBR process, with a removal efficiency of 70% for COD Mn and UV 254, 100% for UV 410 and 92% for ammonia nitrogen in its stable stage.展开更多
The irradiation-induced sputtering and the structural damage at tungsten surface are investigated by using molecular dynamics simulations at the level of quantum mechanics. Our simulations indicate that the sputtered ...The irradiation-induced sputtering and the structural damage at tungsten surface are investigated by using molecular dynamics simulations at the level of quantum mechanics. Our simulations indicate that the sputtered atoms appear when the energy of incident primary knock-on atom （PKA） is more than 200 eV and the incident angle of the PKA is larger than 65°. Meanwhile, the irradiation-induced vacancies are less when the incident angle of PKA is in the range of 45°-65°. So, the optimum incident angles of PKA are suggested to reduce the irradiation-induced damage of the W surface. Furthermore, we find that the interstitials contained in the systems accelerate the sputtering whereas the intrinsic vacancies suppress the sputtering when the PKA is near the defects.展开更多
Classical molecular dynamics has been used to study the interactions between tung- sten （W） plasma-facing materials （PFMs） and dust grains. The impact velocity of dust grains is in the range from 324 m/s to 3240 m...Classical molecular dynamics has been used to study the interactions between tung- sten （W） plasma-facing materials （PFMs） and dust grains. The impact velocity of dust grains is in the range from 324 m/s to 3240 m/s. The main effect of dust grains with low impact velocity is deposition. However, a material surface can be damaged by high velocity dust grains. The cumulative damage of impacting dust grains has also been take into account. When the impact velocity is low, no significant damage is detected but a porous firm forms on the surface. Serious damage can be produced on PFMs if the impact velocity is high.展开更多
The dynamical progresses involved in ultra-short laser pulse ablation of face-centered cubic metals under stress confinement condition are described completely using molecular dynamics method. The laser beam absorptio...The dynamical progresses involved in ultra-short laser pulse ablation of face-centered cubic metals under stress confinement condition are described completely using molecular dynamics method. The laser beam absorption and thermal energy turning into kinetics energy of. atoms are taken into account to give a detailed picture of laser metal interaction. Superheating phenomenon is observed, and the phase change from solid to liquid is characterized by a destroyed atom configuration and a decreased number density. The steep velocity gradients are found in the systems of Cu and Ni after pulse in consequence of located heating and exponential decrease of fluences following the Lambert-Beer expression. The shock wave velocities are predicted to be about 5 000 m/s in Cu and 7 200 m/s in Ni. The higher ablation rates are obtained from simulations compared with experimental data as a result of a well-defined crystalline surface irradiated by a single pulse. Simulation results show that the main mechanisms of ablation are evaporation and thermoelastic stress due to located heating.展开更多
文摘Since 1980’s,life science has been holding a prominent place in the development ofscience and it is expected to become one of the leading disciplines in the 21 century.Currently the development of life science presents the following characteristics:1.The understanding of life was deepened to the molecule level.
文摘A kind of hybrid membrane process, which integrated powdered activated carbon (PAC) with membrane bioreactor (MBR), was designed for bench scale experiment for micro-polluted surface water treatment. Molecular weight analysis was used to evaluate the efficiency of each unit process and the integration of them. The result of analysis indicated that organic molecules in the treated water from PAC-MBR process were concentrated on the section of below 1000, while PAC adsorption could enhance the removal efficiency of this section due to the high percent of biodegradation recalcitrant organic matter with low molecular weight. It was demonstrated that PAC adsorption and biological treatment promoted each other in PAC-MBR process, with a removal efficiency of 70% for COD Mn and UV 254, 100% for UV 410 and 92% for ammonia nitrogen in its stable stage.
基金This work is supported by the National Magnetic Confinement Fusion Program （No.2013GB107004）, the National Natural Science Foundation of China （No.11275191）. The Computational Center of USTC is acknowledged for computational support.
文摘The irradiation-induced sputtering and the structural damage at tungsten surface are investigated by using molecular dynamics simulations at the level of quantum mechanics. Our simulations indicate that the sputtered atoms appear when the energy of incident primary knock-on atom （PKA） is more than 200 eV and the incident angle of the PKA is larger than 65°. Meanwhile, the irradiation-induced vacancies are less when the incident angle of PKA is in the range of 45°-65°. So, the optimum incident angles of PKA are suggested to reduce the irradiation-induced damage of the W surface. Furthermore, we find that the interstitials contained in the systems accelerate the sputtering whereas the intrinsic vacancies suppress the sputtering when the PKA is near the defects.
基金supported by National Natural Science Foundation of China(No.11075186)National Magnetic Confinement Fusion Science Program of China(No.2013GB107004)
文摘Classical molecular dynamics has been used to study the interactions between tung- sten （W） plasma-facing materials （PFMs） and dust grains. The impact velocity of dust grains is in the range from 324 m/s to 3240 m/s. The main effect of dust grains with low impact velocity is deposition. However, a material surface can be damaged by high velocity dust grains. The cumulative damage of impacting dust grains has also been take into account. When the impact velocity is low, no significant damage is detected but a porous firm forms on the surface. Serious damage can be produced on PFMs if the impact velocity is high.
基金the Ministerial Level Advanced Research Foundation (ABAQ440261)
文摘The dynamical progresses involved in ultra-short laser pulse ablation of face-centered cubic metals under stress confinement condition are described completely using molecular dynamics method. The laser beam absorption and thermal energy turning into kinetics energy of. atoms are taken into account to give a detailed picture of laser metal interaction. Superheating phenomenon is observed, and the phase change from solid to liquid is characterized by a destroyed atom configuration and a decreased number density. The steep velocity gradients are found in the systems of Cu and Ni after pulse in consequence of located heating and exponential decrease of fluences following the Lambert-Beer expression. The shock wave velocities are predicted to be about 5 000 m/s in Cu and 7 200 m/s in Ni. The higher ablation rates are obtained from simulations compared with experimental data as a result of a well-defined crystalline surface irradiated by a single pulse. Simulation results show that the main mechanisms of ablation are evaporation and thermoelastic stress due to located heating.
