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Influence of Local Heat Source on Thermal Transport in Magnetic Island
LIU Yongqiang, ZHA Xuejun, WANG Qingsong, YANG Zhen, XIA Qinghao, WU Bin
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2019, 36 (2): 203-210.   DOI: 10.19596/j.cnki.1001-246x.7816
Abstract250)   HTML0)    PDF (11620KB)(973)      
We study heat transport in magnetic island in Tokamak. As electron cyclotron resonance heating (ECRH) has good locality it is used to simulate ECRH plasmas for local Gaussian heat source in magnetic island. In the case of simultaneous existence of background heat source and local Gaussian heat source, variation of radial electron temperature distribution and heat transport in local Gaussian heat source are studied. Analysis is made on influence of local Gaussian heat source on temperature perturbation and magnetic island constraint energy.
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Effects of Zinc Vacancies on Electronic Structure of Al-P Co-doped ZnO:First-principles Calculations
LI Leilei, LI Weixue, DAI Jianfeng, WANG Qing
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2017, 34 (6): 713-721.  
Abstract527)   HTML0)    PDF (4331KB)(983)      
With pseudo-potential plane-wave based on density functional theory (DFT), effects of zinc vacancies on ZnO lattice parameters and electronic structure of Al-P co-doped were studied. Formation energy, density of states are analysed. It shows that AlZn-PZn has the lowest formation energy and presents n-type in the process of co-doping. Presence of zinc vacancies make cell volume decrease, and lattice constant c increase and decreases as concentration of zinc vacancies increase. According to formation energy of co-doping, formation of zinc vacancies system is more stable than AlZn-PO. System with Al and P ratio of 1:2 co-doping can reduce formation energy and become more stable. With comparisons of band structure of VZn and 2VZn, it is found that band gap increased with zinc vacancies increasing, which makes p-type ZnO more obvious and enhances conductivity of AlZn-2PZn co-doping systems. However, for AlZn-2PZn co-doping of 2VZn, it shows great superiority of p-type. According to state density analysis, AlZn-2PZn of 2VZn makes the state density more diffuse, and go through the Fermi level, which leads to formation of obvious p-type. As a result, better p-type ZnO can be obtained by controlling Al/P in proportion of 1:2 co-doing with zinc vacancy to 2VZn.
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First-principles Study of Dehydrogenation Characteristics of LiAlH4 with Dopant Fe
WANG Qing, DANG Wenqiang, DU Rui, DAI Jianfeng, LI Weixue
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2012, 29 (2): 297-302.  
Abstract302)      PDF (7217KB)(582)      
With plane-wave pseudo-potential method of first-principles,effect of dopant Fe on dehydrogenation characteristics of LiAlH4 and mechanism were studied.Dopant formation energy,electronic density of states and dissociation energy of H were investigated.Bonding state and structure-stability of the crystal were analyzed.It indicates that as Fe occupied an interstitial site,an Al site or an Li site,dehydrogenation properties of LiAlH4 were improved.Fe tended to occupy the interstitial site.Analysis on electronic structure reveals that there exist strong interactions between a dopant Fe and its nearest neighbouring Al atoms as Fe occupied an interstitial site.Meanwhile,interaction between a dopant Fe and its nearest neighbouring H atoms is also considerably strong.Stability of the [AIH4] ligand is distorted.Therefore,dehydrogenation properties of LiAlH4 are improved.In general,dopant Fe improve dehydrogenation properties of LiAlH4,which is consistent with experimental observations.
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One-dimensional Simulation of RF CH_4 Plasma in a Fluid Model
LV Shaobo, LIN Zeng, BA Dechun, WANG Qing
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2011, 28 (3): 329-340.  
Abstract277)      PDF (717KB)(873)      
A one-dimensional fluid model for RF methane plasma is presented.Equations of particle balance with drift-diffusion approximation for fluxes,and electron energy balance are solved.Totally 20 species(neutrals,radicals,ions,and electrons) are included in the model,as well as 49 reactions(27 electron reactions,7 ion-neutral reactions,and 15 neutral-neutral reactions).It is found that high electron reaction-rate occurs at high electric-field region.Besides inlet gas CH4,neutral gases H2,C2H6,C3H8,C2H4,and C2H2 also show high densities in the plasma.The main radical in plasma is CH3,with a density of about 1019m-3.At low pressures(e.g.,18Pa) the most important ion is CH5+.At high pressures(e.g.,67Pa) C2H5+ becomes the dominant ion.Radical and ion fluxes towards electrode(except C2H5+) increase slightly with power.
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Electron Energy Distribution in Radio-frequency CH4 Plasma
LV Shaobo, LIN Zeng, WANG Qing, BA Dechun
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2011, 28 (2): 250-258.  
Abstract424)      PDF (1338KB)(1086)      
Electron energy distribution function(EEDF) in RF methane plasma is calculated with Boltzmann equation and Lorentz approximation. Instead of a self-consistent RF field satisfying Poisson's equation,a simple electric field distribution is used.6 neutrals are included,as well as 27 electron-neutral reactions.EEDF yields information about electron reaction rates in plasma,electron average energy,and transport coefficients.In the sheath region,EEDF is Maxwellian,and in the bulk region a Druyvesteyn EEDF is found.An electron average energy peak occurs in the sheath region,together with electron reaction rates.Differing from constant transport coefficients used in references,electron diffusion and mobility coefficients strongly depend on RF period and space.
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Mesoscopic Transport Through a Toroidal Carbon Nanotube and a Quantum Dot Coupled System
ZHAO Hong-kang, WANG Qing
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2005, 22 (2): 149-154.  
Abstract281)      PDF (289KB)(791)      
The mesoscopic transport through a quantum dot and a toroidal carbon nanotube (TCN) coupled system is investigated with the nonequilibrium Green's function technique.The coherent tunneling is strongly related to the energy structures of the TCN and the quantum dot.The Aharonov-Bohm effect causes energy levels of the TCN to change periodically,and the tunneling current oscillates with the magnetic flux.The detailed nanostructure of TCN exhibits metal-semiconductor transition,and this behavior is reflected in the output current.The matching-mismatching of quantum levels of the sub-systems plays important role in the mesoscopic transport.
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HIGH-POWER HIGH-GAIN LARGE-DIAMETER COAXIAL=BACKWARD WAVE OSCILLATORS
JIANG You-ming, WANG Qing-yuan, DU Xiang-wan
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2002, 19 (4): 333-338.  
Abstract219)      PDF (259KB)(839)      
A large-diameter coaxial relativistic backward-wave oscillator is presented. The linearized Lorentz force equation, continuity equation, and Maxwell equations are used to calculate the system dispersion relations for a backward-wave oscillator with a dual-plate rippled-wall waveguide. The system also includes an infinitely thin relativistic electron beam propagating between the opposing plates. Using this theory, the influences of various system parameters on the beam-wave interaction, especially on the exponential growth rate of the wave, are discussed in detail. This theory is also used to design a large-diameter coaxial relativistic backward-wave oscillator in 3cm waveband.
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COHERENT TRANSPORT THROUGH A SUPERCONDUCTOR-QUANTUM-DOT COUPLED SYSTEM
ZHAO Hong-kang, WANG Qing
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2002, 19 (4): 293-298.  
Abstract172)      PDF (324KB)(690)      
Quantum coherent transport through a superconductor-quantum-dot coupled system is investigated mainly for considering the current characteristics under the interactions of microwave field and Zeeman field. The mean field BCS theory and non-equilibrium Green function technique are employed to solve the tunneling problem. The Bogoliubov transformation is employed to derive the current formula, and the current-voltage, current-magnetic field and Josephson current curves are given by numerical calculations.
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