Electron transfer statistics and thermal fluctuations in molecular junctions

We derive analytical expressions for probability distribution function (PDF) for electron transport in a simple model of quantum junction in presence of thermal fluctuations. Our approach is based on the large deviation theory combined with the generating function method. For large number of electrons transferred, the PDF is found to decay exponentially in the tails with different rates due to applied bias. This asymmetry in the PDF is related to the fluctuation theorem. Statistics of fluctuations are analyzed in terms of the Fano factor. Thermal fluctuations play a quantitative role in determining the statistics of electron transfer; they tend to suppress the average current while enhancing the fluctuations in particle transfer. This gives rise to both bunching and antibunching phenomena as determined by the Fano factor. The thermal fluctuations and shot noise compete with each other and determine the net (effective) statistics of particle transfer. Exact analytical expression is obtained for delay time distribution. The optimal values of the delay time between successive electron transfers can be lowered below the corresponding shot noise values by tuning the thermal effects. (C) 2015 AIP Publishing LLC.

Phase diagram of the half-filled ionic Hubbard model

We study the phase diagram of the ionic Hubbard model (IHM) at half filling on a Bethe lattice of infinite connectivity using dynamical mean-field theory (DMFT), with two impurity solvers, namely, iterated perturbation theory (IPT) and continuous time quantum Monte Carlo (CTQMC). The physics of the IHM is governed by the competition between the staggered ionic potential Delta and the on-site Hubbard U. We find that for a finite Delta and at zero temperature, long-range antiferromagnetic (AFM) order sets in beyond a threshold U = U-AF via a first-order phase transition. For U smaller than U-AF the system is a correlated band insulator. Both methods show a clear evidence for a quantum transition to a half-metal (HM) phase just after the AFM order is turned on, followed by the formation of an AFM insulator on further increasing U. We show that the results obtained within both methods have good qualitative and quantitative consistency in the intermediate-to-strong-coupling regime at zero temperature as well as at finite temperature. On increasing the temperature, the AFM order is lost via a first-order phase transition at a transition temperature T-AF(U,Delta) or, equivalently, on decreasing U below U-AF(T,Delta)], within both methods, for weak to intermediate values of U/t. In the strongly correlated regime, where the effective low-energy Hamiltonian is the Heisenberg model, IPT is unable to capture the thermal (Neel) transition from the AFM phase to the paramagnetic phase, but the CTQMC does. At a finite temperature T, DMFT + CTQMC shows a second phase transition (not seen within DMFT + IPT) on increasing U beyond U-AF. At U-N > U-AF, when the Neel temperature T-N for the effective Heisenberg model becomes lower than T, the AFM order is lost via a second-order transition. For U >> Delta, T-N similar to t(2)/U(1 - x(2)), where x = 2 Delta/U and thus T-N increases with increase in Delta/U. In the three-dimensional parameter space of (U/t, T/t, and Delta/t), as T increases, the surface of first-order transition at U-AF(T,Delta) and that of the second-order transition at U-N(T,Delta) approach each other, shrinking the range over which the AFM order is stable. There is a line of tricritical points that separates the surfaces of first- and second-order phase transitions.

Active dendrites mediate stratified gamma-range coincidence detection in hippocampal model neurons

Hippocampal pyramidal neurons exhibit gamma-phase preference in their spikes, selectively route inputs through gamma frequency multiplexing and are considered part of gamma-bound cell assemblies. How do these neurons exhibit gamma-frequency coincidence detection capabilities, a feature that is essential for the expression of these physiological observations, despite their slow membrane time constant? In this conductance-based modelling study, we developed quantitative metrics for the temporal window of integration/coincidence detection based on the spike-triggered average (STA) of the neuronal compartment. We employed these metrics in conjunction with quantitative measures for spike initiation dynamics to assess the emergence and dependence of coincidence detection and STA spectral selectivity on various ion channel combinations. We found that the presence of resonating conductances (hyperpolarization-activated cyclic nucleotide-gated or T-type calcium), either independently or synergistically when expressed together, led to the emergence of spectral selectivity in the spike initiation dynamics and a significant reduction in the coincidence detection window (CDW). The presence of A-type potassium channels, along with resonating conductances, reduced the STA characteristic frequency and broadened the CDW, but persistent sodium channels sharpened the CDW by strengthening the spectral selectivity in the STA. Finally, in a morphologically precise model endowed with experimentally constrained channel gradients, we found that somatodendritic compartments expressed functional maps of strong theta-frequency selectivity in spike initiation dynamics and gamma-range CDW. Our results reveal the heavy expression of resonating and spike-generating conductances as the mechanism underlying the robust emergence of stratified gamma-range coincidence detection in the dendrites of hippocampal and cortical pyramidal neurons.

A novel interferometric technique to estimate thermal diffusivity of `optically transparent solid' using `Isothermal surface velocimetry'

One-dimensional transient heat flow is interpreted as a procession of `macro-scale translatory motion of indexed isothermal surfaces'. A new analytical model is proposed by introducing velocity of isothermal surface in Fourier heat diffusion equation. The velocity dependent function is extracted by revisiting `the concept of thermal layer of heat conduction in solid' and `exact solution' to estimate thermal diffusivity. The experimental approach involves establishment of 1 D unsteady heat flow inside the sample through Step-temperature excitation. A novel self-reference interferometer is utilized to separate a `unique isothermal surface' in time-varying temperature field. The translatory motion of the said isothermal surface is recorded using digital camera to estimate its velocity. From the knowledge of thermo-optic coefficient, temperature of the said isothermal surface is predicted. The performance of proposed method is evaluated for Quartz sample and compared with literature.

Meridional gradients in aerosol vertical distribution over Indian Mainland: Observations and model simulations

Multi-year observations from the network of ground-based observatories (ARFINET), established under the project `Aerosol Radiative Forcing over India' (ARFI) of Indian Space Research Organization and space-borne lidar `Cloud Aerosol Lidar with Orthogonal Polarization' (CALIOP) along with simulations from the chemical transport model `Goddard Chemistry Aerosol Radiation and Transport' (GOCART), are used to characterize the vertical distribution of atmospheric aerosols over the Indian landmass and its spatial structure. While the vertical distribution of aerosol extinction showed higher values close to the surface followed by a gradual decrease at increasing altitudes, a strong meridional increase is observed in the vertical spread of aerosols across the Indian region in all seasons. It emerges that the strong thermal convections cause deepening of the atmospheric boundary layer, which although reduces the aerosol concentration at lower altitudes, enhances the concentration at higher elevations by pumping up more aerosols from below and also helping the lofted particles to reach higher levels in the atmosphere. Aerosol depolarization ratios derived from CALIPSO as well as the GOCART simulations indicate the dominance of mineral dust aerosols during spring and summer and anthropogenic aerosols in winter. During summer monsoon, though heavy rainfall associated with the Indian monsoon removes large amounts of aerosols, the prevailing southwesterly winds advect more marine aerosols over to landmass (from the adjoining oceans) leading to increase in aerosol loading at lower altitudes than in spring. During spring and summer months, aerosol loading is found to be significant, even at altitudes as high as 4 km, and this is proposed to have significant impacts on the regional climate systems such as Indian monsoon. (C) 2015 Elsevier Ltd. All rights reserved.

Rayleigh-Taylor instability in a thermocline based thermal storage tank

Numerical simulations are performed to study the stability characteristics of a molten salt thermocline storage unit. Perturbations are introduced into a stable flow field in such a way as to make the top-fluid heavier than the fluid at the bottom, thereby causing a possible instability in the system. The evolution pattern of the various disturbances are examined in detail. Disturbances applied for short duration get decayed before they could reach the thermocline, whereas medium and long duration disturbances evolve into a ``falling spike'' or ``stalactite-like'' structure and destabilize the thermocline. Rayleigh Taylor instability is observed inside the storage tank. The effect of the duration, velocity and temperature of the disturbance on thermocline thickness and penetration length are studied. A quadratic time dependence of penetration length was observed. New perspectives on thermocline breakdown phenomena are obtained from the numerical flow field. (C) 2015 Elsevier Masson SAS. All rights reserved.

Fabrication and Nonlinear Thermomechanical Analysis of SU8 Thermal Actuator

SU8-based micromechanical structures are widely used as thermal actuators in the development of compliant micromanipulation tools. This paper reports the design, nonlinear thermomechanical analysis, fabrication, and thermal actuation of SU8 actuators. The thermomechanical analysis of the actuator incorporates nonlinear temperature-dependent properties of SU8 polymer to accurately model its thermal response during actuation. The designed SU8 thermal actuators are fabricated using surface micromachining techniques and the electrical interconnects are made to them using flip-chip bonding. The issues due to thermal stress during fabrication are discussed and a novel strategy is proposed to release the thermal stress in the fabricated actuators. Subsequent characterization of the actuator using an optical profilometer reveals excellent thermal response, good repeatability, and low hysteresis. The average deflection is similar to 8.5 mu m for an actuation current of similar to 5 mA. The experimentally obtained deflection profile and the tip deflection at different currents are both shown to be in good agreement with the predictions of the nonlinear thermomechanical model. This underscores the need to consider nonlinearities when modeling the response of SU8 thermal actuators. 2015-0087]

Intensity Distribution Design for Laser-Induced Thermal Loading Based on Numerical Simulation

To accomplish laser-induced thermal loading simulation tests for pistons,the Gaussian beam was modulated into multi-circular beam with specific intensity distribution.A reverse method was proposed to design the intensity distribution for the laser-induced thermal loading based on finite element(FE) analysis.Firstly,the FE model is improved by alternating parameters of boundary conditions and thermal-physical properties of piston material in a reasonable range,therefore it can simulate the experimental resul...

Thermal Strain Analysis of a Flip-Chip Package by a Modified Hybrid Method

介绍一种可用于微电子封装局部应变场分析的实验/计算混合方法,该方法结合了有限元的整体/局部模型和实时的激光云纹干涉技术,利用激光云纹干涉技术所测得的应变场来校核有限元整体模型的计算结果,并用整体模型的结果作为局部模型的边界条件,对实验难以确定的封装结构局部位置的应力、应变场进行分析.用这种方法对可控坍塌倒装封装结构在热载荷作用下焊球内的应变场分布进行了分析,结果表明该方法能够提供封装结构内应力-应变场分布的准确和可靠的结果,为微电子封装的可靠性分析提供重要的依据. For the reliability analysis of electronic packages, strains in very localized areas, such as an interconnection or a corner, need to be determined. In this paper, a modified hybrid method of global/local modeling and real time moire interferometry is presented. In this method, a simplified, coarsely meshed global model is developed to get rough information about the deformation of the microelectronic package. In order to make sure the global model has been reasonably simplified and the material properties ...

Thermocapillary Effect in a Thermal Rheological Jet

The process of die swell in polymer jets is an important feature within polymer processing and can be explained through a study of its rheological effects. The existence of a thermocapillary effect, driven by the gradient of its surface tension, should be considered when examining a thermal jet that has a non-uniform temperature distribution on its free surface, as in various polymer processings. Both the rheological effect and thermocapillary effect on die swell can be studied numerically through a finite element method as used on a two-dimensional and unsteady model, in which a Coleman-Noll second-order fluid model is employed. The results show that the expanding angle depends on both the rheological property of the fluid and the pressure at the vessel exit. Although both the thermocapillary and the rheological effects contribute to the cross-section expansion of the fluid jet, the latter is more important in determining the expansion.

A new model of thermocapillary convection in floating half zone

A new model of thermocapillary convection in floating half zone was suggested in the present paper. The liquid bridge floats between two co-axis rods, the lower rod consists of metal with constant temperature and the upper rod consists of thermal insulating materials, where the normal gradient of temperature is nearly zero. In this case, the new model is relatively closer to simulate a half part of floating full zone in microgravity environment in comparison with the usual model of floating half zone. Basic features of the new model were studied by both numerical simulation and experiments, and the comparisons with the usual model were also discussed.

A Numerical Study for Turbulent Flow and Thermal Influence Over Inhomogenous Canopy of Roughness Elements

A large-eddy simulation with transitional structure function(TSF) subgrid model we previously proposed was performed to investigate the turbulent flow with thermal influence over an inhomogeneous canopy, which was represented as alternative large and small roughness elements. The aerodynamic and thermodynamic effects of the presence of a layer of large roughness elements were modelled by adding a drag term to the three-dimensional Navier-Stokes equations and a heat source/sink term to the scalar equation, respectively. The layer of small roughness elements was simply treated using the method as described in paper (Moeng 1984, J. Atmos Sci. 41, 2052-2062) for homogeneous rough surface. The horizontally averaged statistics such as mean vertical profiles of wind velocity, air temperature, et al., are in reasonable agreement with Gao et al.(1989, Boundary layer meteorol. 47, 349-377) field observation (homogeneous canopy). Not surprisingly, the calculated instantaneous velocity and temperature fields show that the roughness elements considerably changed the turbulent structure within the canopy. The adjustment of the mean vertical profiles of velocity and temperature was studied, which was found qualitatively comparable with Belcher et al. (2003, J Fluid Mech. 488, 369-398)'s theoretical results. The urban heat island(UHI) was investigated imposing heat source in the region of large roughness elements. An elevated inversion layer, a phenomenon often observed in the urban area (Sang et al., J Wind Eng. Ind. Aesodyn. 87, 243-258)'s was successfully simulated above the canopy. The cool island(CI) was also investigated imposing heat sink to simply model the evaporation of plant canopy. An inversion layer was found very stable and robust within the canopy.

Numerical Simulation of Transient Thermal Field in Laser Melting Process

Numerical simulation of thermal field was studied in laser processing. The 3-D finite element model of transient thermal calculation is given by thermal conductive equation. The effects of phase transformation latent are considered. Numerical example is given to verify the model. Finally the real example of transient thermal field is given.

Thermal transport in high porosity cellular metal foams

The heat dissipation capability of highly porous cellular metal foams with open cells subject to forced air convection is studied using a combined experimental and analytical approach. The cellular morphologies of six FeCrAlY (an iron-based alloy) foams and six copper alloy foams with a range of pore sizes and porosities are quantified with the scanning electronic microscope and image analysis. Experimental measurements on pressure drop and heat transfer for copper foams are carried out. A numerical model for forced convection across open-celled metal foams is subsequently developed, and the predictions are compared with those measured. Reasonably good agreement with test data is obtained, given the complexity of the cellular foam morphology and the associated momentum/energy transport. The results show that cell size has a more significant effect on the overall heat transfer than porosity. An optimal porosity is obtained based on the balance between pressure drop and overall heat transfer, which decreases as the Reynolds number is increased.

Thermal radiation in ultralight metal foams with open cells

This paper presents results from experimental measurements on radiative transfer in FeCrAlY (a steel based high temperature alloy) foams having high porosity (95%) and different cell sizes, manufactured at low cost from the sintering route. The spectral transmittance and reflectance are measured at different infrared wavelengths ranging from 2.5 to 50 μm, which are subsequently used to determine the extinction coefficient and foam emissivity. The results show that the spectral quantities are strongly dependent on the wavelength, particularly in the short wavelength regime (<25 μm). Whilst the extinction coefficient decreases with increasing cell size, the effect of cell size on foam reflectance is not significant. When the temperature is increased, the total extinction coefficient increases but the total reflectance decreases. An analytical model based on geometric optics laws, diffraction theory and metal foam morphology is developed to predict the radiative transfer, with cell size (or cell ligament diameter) and porosity identified as the two key parameters that dictate the foam radiative properties. Close agreement between the predicted effective foam conductivity due to radiation alone and that measured is observed. At fixed porosity, the radiative conductivity of the metal foam increases with increasing cell size and temperature. © 2004 Elsevier Ltd.All rights reserved.