First-principle calculation was used to investigate the magnetic properties, electronic structure and bonding mechanism of FeF2. By calculating the lattice parameters and magnetic moment as a function of effective int...First-principle calculation was used to investigate the magnetic properties, electronic structure and bonding mechanism of FeF2. By calculating the lattice parameters and magnetic moment as a function of effective interaction parameter （Ueff）, it is found that the optimum value of Uefr is equal to 4 eV, the magnetic moment is 3.752 μB and the value of c/a is 0.704, which are in good agreement with the experiment results. Simultaneously, on the basis of GGA＋U method, the electronic structure and bonding mechanism of FeF2 were investigated by the analysis of electron localization function, Bader charge and total charge density. The results show that the bonding behavior between Fe and F atoms is a combination of ionic and covalent bond.展开更多
Novel headstand pyrocarbon cones （HPCs） with hollow structure were developed on the surfaces of pyrocarbon layers of the carbon/carbon （C/C） composites at 650-750 °C by the electromagnetic-field-assisted chem...Novel headstand pyrocarbon cones （HPCs） with hollow structure were developed on the surfaces of pyrocarbon layers of the carbon/carbon （C/C） composites at 650-750 °C by the electromagnetic-field-assisted chemical vapor deposition in the absence of catalysts. The fine microstructures of the HPCs were characterized by high-resolution transmission electron microscopy. The results show that the textural features of the HPCs directly transfer from turbostratic structure in roots to a well-ordered high texture in stems. And the degree of high texture ordering decreases gradually from the stem to the tail of the HPCs. The formation mechanism of the HPCs was inferred as the comprehensive effect of polarization induction on electromagnetic fields and particle-filler property under disruptive discharge.展开更多
Permanent magnet tubular linear motors(TLMs) arranged in multiple rows and multiple columns used for a radiotherapy machine were studied. Due to severe volumetric and thermal constraints, the TLMs were at high risk of...Permanent magnet tubular linear motors(TLMs) arranged in multiple rows and multiple columns used for a radiotherapy machine were studied. Due to severe volumetric and thermal constraints, the TLMs were at high risk of overheating. To predict the performance of the TLMs accurately, a multi-physics analysis approach was proposed. Specifically, it considered the coupling effects amongst the electromagnetic and the thermal models of the TLMs, as well as the fluid model of the surrounding air. To reduce computation cost, both the electromagnetic and the thermal models were based on lumped-parameter methods. Only a minimum set of numerical computation(computational fluid dynamics, CFD) was performed to model the complex fluid behavior. With the proposed approach, both steady state and transient state temperature distributions, thermal rating and permissible load can be predicted. The validity of this approach is verified through the experiment.展开更多
基金Foundation item: Project (20871101) supported by the National Natural Science Foundation of ChinaProject (09C945) supported by the Scientific Research Fund of Hunan Provincial Education Department,China
文摘First-principle calculation was used to investigate the magnetic properties, electronic structure and bonding mechanism of FeF2. By calculating the lattice parameters and magnetic moment as a function of effective interaction parameter （Ueff）, it is found that the optimum value of Uefr is equal to 4 eV, the magnetic moment is 3.752 μB and the value of c/a is 0.704, which are in good agreement with the experiment results. Simultaneously, on the basis of GGA＋U method, the electronic structure and bonding mechanism of FeF2 were investigated by the analysis of electron localization function, Bader charge and total charge density. The results show that the bonding behavior between Fe and F atoms is a combination of ionic and covalent bond.
基金Project (2011CB605801) supported by the National Basic Research Program of ChinaProject (2011M500127) supported by the China Postdoctoral Science Foundation+1 种基金Projects (50802115, 51102089) supported by the National Natural Science Foundation of ChinaProject supported by the Postdoctoral Fund of the Central South University, China
文摘Novel headstand pyrocarbon cones （HPCs） with hollow structure were developed on the surfaces of pyrocarbon layers of the carbon/carbon （C/C） composites at 650-750 °C by the electromagnetic-field-assisted chemical vapor deposition in the absence of catalysts. The fine microstructures of the HPCs were characterized by high-resolution transmission electron microscopy. The results show that the textural features of the HPCs directly transfer from turbostratic structure in roots to a well-ordered high texture in stems. And the degree of high texture ordering decreases gradually from the stem to the tail of the HPCs. The formation mechanism of the HPCs was inferred as the comprehensive effect of polarization induction on electromagnetic fields and particle-filler property under disruptive discharge.
基金Project(2015BAI03B00)supported by the National Key Technology R&D Program of ChinaProject(Z141100000514015)supported by Science and Technology Planning Program of Beijing,ChinaProject(SKLT12A03)supported by Tribology Science Fund of State Key Laboratory of Tribology,China
文摘Permanent magnet tubular linear motors(TLMs) arranged in multiple rows and multiple columns used for a radiotherapy machine were studied. Due to severe volumetric and thermal constraints, the TLMs were at high risk of overheating. To predict the performance of the TLMs accurately, a multi-physics analysis approach was proposed. Specifically, it considered the coupling effects amongst the electromagnetic and the thermal models of the TLMs, as well as the fluid model of the surrounding air. To reduce computation cost, both the electromagnetic and the thermal models were based on lumped-parameter methods. Only a minimum set of numerical computation(computational fluid dynamics, CFD) was performed to model the complex fluid behavior. With the proposed approach, both steady state and transient state temperature distributions, thermal rating and permissible load can be predicted. The validity of this approach is verified through the experiment.
