Search results for " conduction"
showing 10 items of 373 documents
Mixed Grotthuss and Vehicle Transport Mechanism in Proton Conducting Polymers from Ab initio Molecular Dynamics Simulations
2011
We elucidate the microscopic mechanism of long-range proton conduction in poly[vinyl phosphonic acid] (PVPA), a highly promising proton conducting polymer. Using a steered ab initio molecular dynamics approach, we characterize the charge transport functionality of acid groups interacting with nonbulk water molecules intercalated in the polymer. Our results show that in PVPA, unlike in Nafion, water has a local vehicle/carrier function for excess protons. This function must however be combined with the Grotthuss-type conduction mechanism that is supplied by the acid groups in order to yield long-range charge transport. As an additional aspect, we find that contrary to common intuition, syste…
Real-time simulation and control system for the continuous casting process
2005
In this paper we present a real-time system which is used to simulate the unsteady-state continuous casting process and to control the secondary cooling water sprays. The aim of the control system is to keep the surface temperature of the slab constant with respect to time in spite of casting speed variations, and in this way minimize the formation of cracks in the final product. The simulator calculates the temperature distribution using a mathematical model based on a heat conduction formula with phase changes. The optimal spray water flow rates for each spray cooling zone will be calculated by minimizing the deviation between the target surface temperature and the calculated actual surfa…
CdTe crystal growth process by the Bridgman method: numerical simulation
2001
Abstract Numerical simulation of the CdTe crystal growth process by the Bridgman method is made by using the commercial computational code FLUENT for the mathematical solution of the governing equations. To reduce computational effort, we have made use of a two level strategy. In the first level we have considered the whole system formed by the ampoule with the liquid–solid charge, the furnace, and the air between them. The heat transfer is assumed to occur by conduction, convection and radiation between the furnace and the ampoule, and only by conduction through the ampoule wall and the solid and liquid CdTe. In the second level we focus on the ampoule and its content, using the values of …
Heat transfer simulation in a vertical Bridgman CdTe growth configuration
1999
Modelling and numerical simulation of crystal growth processes have been shown to be powerful tools in order to understand the physical effects of different parameters on the growth conditions. In this study a finite difference/control volume technique for the study of heat transfer has been employed. This model takes into account the whole system: furnace temperature profile, air gap between furnace walls and ampoule, ampoule geometry, crucible coating if any, solid and liquid CdTe thermal properties, conduction, convection and radiation of heat and phase change. We have used the commercial code FLUENT for the numerical resolution that can be running on a personal computer. Results show th…
Time-dependent simulation of Czochralski silicon crystal growth
1997
We have developed a detailed mathematical model and numerical simulation tools based on the streamline upwind/Petrov-Galerkin (SUPG) finite element formulation for the Czochralski silicon crystal growth. In this paper we consider the mathematical modeling and numerical simulation of the time-dependent melt flow and temperature field in a rotationally symmetric crystal growth environment. Heat inside the Czochralski furnace is transferred by conduction, convection and radiation, Radiating surfaces are assumed to be opaque, diffuse and gray. Hence the radiative heat exchange can be modeled with a non-local boundary condition on the radiating part of the surface. The position of the crystal-me…
Non-dimensional groups for air solar collectors
2003
Abstract The radiant heat captured by a passive air solar collector during a day divides itself into three fractions, of which one is transmitted by conduction to the backside, one is collected by the convective air flow, and the last one is lost through glazing. Some calculations of heat transfer taking place in a collector in 24-h periodic regime have been done with different combinations of the values of the relevant thermo-physical variables. Calculation results were the fractions of energy transmitted to the internal room through the wall by conduction and with the air flow by convection, and lost through the glazing. The results give rise to a correlation among non-dimensional variabl…
Heat transfer calculation in a free convection air solar collector
1998
This paper deals with the free convective air flow developing in a vertical channel with a rectangular cross-section heated on one side. The channel geometric and physical properties are such as to simulate an air solar collector suitable for building heating. A calculation method that can be applied to the transient combined heat transfer by conduction through the wall and by convection from the wall to the air stream is presented. The conduction across the wall is computed with a one-dimensional, time-dependent finite difference scheme, with convective boundary conditions at both wall surfaces. For the free convective flow along the channel, the air flow rate and the mean convective coeff…
Evidence for Photoinduced Hole Coupling in BaTiO3:Co
1995
A possible photoinduced correlation mechanism in BaTiO 3 : Co is described. The underlying microscopic process is a local hole photoinjection at a Co 3+ site close to a preexisting metastable hole, The Jahn-Teller field at the Co 2+ site transfers this pair of holes in the next cell along the rhombic direction [111] before normal polaronic or band conduction. The spatial extension of this correlation depends on a characteristic «delocalization» length. This unstable conductive state appears to be possibly frozen in a permanent way below T c
Hot electron effects in metallic single electron components
1996
Thermalisation of single electron devices is of considerable current interest because of its fundamental and practical consequences. We present experimental evidence of the effect of electrode volume and its shape on thermal equilibration of small metallic islands for single electron tunnelling. Heat transport between the conduction electrons and the lattice in a metal is commonly accepted to obey the ∝Te5-T0/5 law at low electron and lattice temperatures,Te andT0, respectively. We have investigated the power law and found that it obeys the ∝T5 law only for the smallest islands, and in the majority of the cases considered, it rather follows a law ∝Tp, wherep<5. The thermal coupling can be i…
Interpretation of epicardial mapping by means of computer simulations: Applications to calcium, lidocaine and to BRL 34915
1992
The aim of this work was to compare experimental investigations on effects of lidocaine, calcium and, BRL 34915 on reentries to simulated data obtained by use of a model of propagation based on the Huygens' construction method already described in previous works. Calcium and lidocaine effects are investigated on anisotropic conduction conditions. In both cases, reduction in conduction velocities are observed. In lidocaine case, a refractory area is located along the longitudinal axis. In agreement with experimental electrical mapping, the simulations show that the stabilization of reentrant excitation is mainly due to the existence of this refractory area around which the reentrant circuit …