| 1. |
- Chen, Chao, et al.
(författare)
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Effects of Salt Tracer Amount, Concentration and Kind on the Fluid Flow Behavior in a Hydrodynamic Model of Continuous Casting Tundish
- 2012
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Ingår i: Steel Research International. - : John Wiley & Sons. - 1611-3683 .- 1869-344X. ; 83:12, s. 1141-1151
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Tidskriftsartikel (refereegranskat)abstract
- The hydrodynamic modeling method that widely used to simulate the fluid flow was reconsidered and discussed in this paper. The effects of injected salt tracer amount, concentration and kind on the fluid flow behavior in a hydrodynamic model tundish were investigated. The results were compared with the mathematical modeling calculation results, that the tracer density effect was eliminated. The residence time distribution (RTD) curve of tracer introduced deviated to the left side of the calculated curve, besides the deviation was increased as dimensionless tracer amount (the ratio of tracer amount to hydrodynamic model tundish volume) increased from 0.202 × 10−3 to 1.008 × 10−3. The results of tracer concentration study were similar, namely the deviation was increased with concentration increased; on the other hand, the deformation of a “stair-shape” RTD curve occurred when tracer concentration was much lower (at dimensionless tracer amount of 0.168 × 10−3 with converting to saturated solution). Besides, the effect of tracer kind on the accuracy of hydrodynamic modeling was also studied; the measurements of KCl solution with lower density than that of NaCl solution exhibited more of accuracy. Finally, the optimized tracer in hydrodynamic model tundish of present work is saturated KCl solution with dimensionless tracer amount of 0.202 × 10−3.
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| 2. |
- Ding, Zongling, et al.
(författare)
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The Finite-Size Effect on the Transport Properties in Edge-Modified Graphene Nanoribbon-Based Molecular Devices
- 2011
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Ingår i: Journal of Computational Chemistry. - : Wiley. - 0192-8651 .- 1096-987X. ; 32:8, s. 1753-1759
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Tidskriftsartikel (refereegranskat)abstract
- The size-dependence on the electronic and transport properties of the molecular devices of the edge-modified graphene nanoribbon (GNR) slices is investigated using density-functional theory and Green's function theory. Two edge-modifying functional group pairs are considered. Energy gap is found in all the GNR slices. The gap shows an exponential decrease with increasing the slice size of two vertical orientations in the two edge terminated cases, respectively. The tunneling probability and the number of conducting channel decreases with increasing the GNR-slices size in the junctions. The results indicate that the acceptor-donor pair edge modulation can improve the quantum conductance and decrease the finite-size effect on the transmission capability of the GNR slice-based molecular devices.
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| 3. |
- Ding, Zongling, et al.
(författare)
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Transport Properties of Graphene Nanoribbon-Based Molecular Devices
- 2011
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Ingår i: Journal of Computational Chemistry. - : Wiley. - 0192-8651 .- 1096-987X. ; 32:4, s. 737-741
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Tidskriftsartikel (refereegranskat)abstract
- The electronic and transport properties of an edge-modified prototype graphene nanoribbon (GNR) slice are investigated using density functional theory and Green's function theory. Two decorating functional group pairs are considered, such as hydrogen-hydrogen and NH2-NO2 with NO2 and NH2 serving as a donor and an acceptor, respectively. The molecular junctions consist of carbon-based GNR slices sandwiched between Au electrodes. Nonlinear I-V curves and quantum conductance have been found in all the junctions. With increasing the source-drain bias, the enhancement of conductance is quantized. Several key factors determining the transport properties such as the electron transmission probabilities, the density of states, and the component of Frontier molecular orbitals have been discussed in detail. It has been shown that the transport properties are sensitive to the edge type of carbon atoms. We have also found that the accepter-donor functional pairs can cause orders of magnitude changes of the conductance in the junctions.
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