Phonon relaxation and heat conduction in one-dimensional Fermi-Pasta-Ulam β lattices by molecular dynamics simulations

The phonon relaxation and heat conduction in one-dimensional Fermi-Pasta-Ulam (FPU) β lattices are studied by using molecular dynamics simulations.The phonon relaxation rate,which dominates the length dependence of the FPU β lattice,is first calculated from the energy autocorrelation function for different modes at various temperatures through equilibrium molecular dynamics simulations.We find that the relaxation rate as a function of wave number k is proportional to k 1.688,which leads to a N 0.41 divergence of the thermal conductivity in the framework of Green-Kubo relation.This is also in good agreement with the data obtained by non-equilibrium molecular dynamics simulations which estimate the length dependence exponent of the thermal conductivity as 0.415.Our results confirm the N 2/5 divergence in one-dimensional FPU β lattices.The effects of the heat flux on the thermal conductivity are also studied by imposing different temperature differences on the two ends of the lattices.We find that the thermal conductivity is insensitive to the heat flux under our simulation conditions.It implies that the linear response theory is applicable towards the heat conduction in one-dimensional FPU β lattices.     

Annealing and surface conduction on Hydrogen peroxide treated bulk melt-grown,single crystal ZnO

We report on the studies carried out on hydrogen peroxide treated melt-grown, bulk single crystal ZnO samples. Results show the existence of two shallow donors in the as-received ZnO samples with energy levels (37.8±0.3) meV that has been suggested as Zn_i related and possibly H-complex related and (54.5±0.9) meV, which has been assigned to an Al-related donor. Annealing studies performed on the hydrogen peroxide treated samples reveal the existence of a conductive channel in the samples in which new energy levels have been observed, Zn vacancies, related to the Group I elements, X_Zn. The surface donor volume concentration of the conductive channel was calculated from a theory developed by Look (2007) [1]. Results indicate an increase in the surface volume concentration with increasing annealing temperature from 60×10¹⁷ cm⁻³ at 200 °C to 4.37×10¹⁸ cm^-3 at 800 °C.     

非线性热传导方程MLPG/RBF-FD无网格数值模拟

结合无网格局部彼得洛夫-伽辽金(MLPG)方法和径向基函数有限差分(RBF-FD)无网格方法求解非线性热传导问题.MLPG方法属于弱式无网格方法,具有处理边界条件方便的优点,然而因其要做大量的插值、积分运算而计算效率偏低;RBF-FD无网格方法属于强式无网格方法,直接对微分算子进行数值离散,计算效率高,然而其边界条件的...     

Prox-regular functions in Hilbert spaces

This paper studies the prox-regularity concept for functions in the general context of Hilbert space. In particular, a subdifferential characterization is established as well as several other properties. It is also shown that the Moreau envelopes of such functions are continuously differentiable.     

Explicit Conditions for Local Thermal Equilibrium in Porous Media Heat Conduction

Based on the traditional formulation of heat transfer in porous media it is demonstrated that Local Thermal Equilibrium (Lotheq) applies generally for any boundary conditions that are a combination of constant temperature and insulation. The resulting consequences are being analysed and discussed. Among these consequences it is shown that the linear relationship between the average temperature difference of the two phases and the heat transferred over the fluid-solid interface is inappropriate for use in connection with conditions of Lack of Local Thermal Equilibrium (La Lotheq).     

The Braginskii model of the Rayleigh–Taylor instability. I. Effects of self-generated magnetic fields and thermal conduction in two dimensions

There exists a substantial disagreement between computer simulation results and high-energy density laboratory experiments of the Rayleigh–Taylor instability [1]. Motivated by the observed discrepancies in morphology and growth rates, we attempt to bring simulations and experiments into better agreement by extending the classic purely hydrodynamic model to include self-generation of magnetic fields and anisotropic thermal conduction.We adopt the Braginskii formulation for transport in hot, dense plasma, implement and verify the additional physics modules, and conduct a computational study of a single-mode RTI in two dimensions with various combinations of the newly implemented modules. We analyze physics effects on the RTI mixing and flow morphology, the effects of mutual physics interactions, and the evolution of magnetic fields.We find that magnetic fields reach levels on the order of 11 MG (plasma β ≈ 9.1 × 10^?2) in the absence of thermal conduction. These fields do not affect the growth of the mixed layer but substantially modify its internal structure on smaller scales. In particular, we observe denting of the RT spike tip and generation of additional higher order modes as a result of these fields. Contrary to interpretation presented in earlier work [2], the additional mode is not generated due to modified anisotropic heat transport effects but due to dynamical effect of self-generated magnetic fields. The overall flow morphology in self-magnetized, non-conducting models is qualitatively different from models with a pre-existing uniform field oriented perpendicular to the interface. This puts the usefulness of simple MHD models for interpreting the evolution of self-magnetizing HED systems with zero-field initial conditions into doubt.The main effects of thermal conduction are a reduction of the RT instability growth rate (by about 20% for conditions considered here) and inhibited mixing on small scales. In this case, the maximum self-generated magnetic fields are weaker (approximately 1.7 MG; plasma β ≈ 49). This is due to reduction of temperature and density gradients due to conduction. These self-generated magnetic fields are of very similar strength compared to magnetic fields observed recently in HED laboratory experiments [3].We find that thermal conduction plays the dominant role in the evolution of the model RTI system considered. It smears out small-scale structure and reduces the RTI growth rate. This may account for the relatively featureless RT spikes seen in experiments, but does not explain mass extensions observed in experiments.Resistivity, related heat source terms and the thermo-electric contribution to the heat flow were not included in the present work. We estimate their impact on RTI as modest and not affecting our main conclusions. These effects will be discussed in detail in the next paper in the series.     

Contact interaction of a rigid heat-conducting punch with an elastic layer involving nonstationary frictional heating

A mathematical formulation is given and a solution is found to the quasistatic contact problem of thermoelasticity for a rigid heat-conducting punch moving over an elastic layer with fixed base. The interaction is accompanied by heating due to frictional forces obeying Amonton’s law. The problem is reduced to a system of integral equations with time-varying limits of integration. The structure of these equations depends on the type of thermal and physical conditions on the contact surface. An algorithm is proposed for the numerical solution of this kind of equations. The variation in the contact pressure and contact area with time is studied __________ Translated from Prikladnaya Mekhanika, Vol. 41, No. 12, pp. 35–46, December 2005.     

Traveling wave with allowance for equilibrium radiation

Three modes of propagation of a traveling-wave front over a noncold gas with different propagation velocities are found using one thermodynamic model. When the indicated velocity is low, transition from constant values of the gas parameters on both sides of the traveling-wave front proceeds continuously. An increase in the traveling-wave velocity leads to an isothermal jump: the density and velocity of the gas undergo a strong discontinuity whereas the temperature varies continuously. With a further increase in the traveling-wave velocity, the isothermal jump disappears and the flow becomes continuous again. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 47, No. 4, pp. 15–25, July–August, 2006.     

Numerical modeling of the single-phase Stefan problem in a layer with transparent and semitransparent boundaries

Numerical modeling of the single-phase Stefan problem in a semitransparent layer with transparent, nonabsorbing, and partially radiation-absorbing boundaries is performed. It is shown that at low temperatures of the medium, convection is a determining factor on the boundary of the irradiated sample, and at high temperatures, radiation is predominant. The absence of absorption on the boundaries of the layer leads to acceleration of the heating of the plate and considerable deceleration of melting processes. __________ Translated from Prikladnaya Mekhanika i Tekhnicheskaya Fizika, Vol. 47, No. 3, pp. 84–91, May–June, 2006.     

A phase-field study on the oxidation behavior of Ni considering heat conduction

Phase-field modeling approach has been used to study the oxidation behavior of pure Ni when considering heat conduction. In this calculation, the dependence of the coefficient of the Cahn–Hilliard equation Lc on the temperature T was considered. To this end, high-temperature oxidation experiments and phase-field modeling for pure Ni were performed in air under atmospheric pressure at 600,700, and 800?C. The oxidation rate was measured by thermogravimetry and Lc at these temperatures was determined via interactive algorithm. With the Lc-T relationship constructed, oxidation behavior of Ni when considering heat conduction was investigated. The influence of temperature boundaries on the oxidation degree, oxide film thickness, and specific weight gain were discussed. The phase-field modeling approach proposed in this study will give some highlights of the oxidation resistance analysis and cooling measures design of thermal protection materials.