Melting curve of MgO from first-principles simulations

First-principles calculations based on density functional theory, both with the local density approximation (LDA) and with generalized gradient corrections (GGA), have been used to simulate solid and liquid MgO in direct coexistence in the range of pressure 0 < or = p < or = 135 GPa. The calculated LDA zero pressure melting temperature is T(LDA)m = 3110 +/- 50 K, in good agreement with the experimental data. The GGA zero pressure melting temperature T(GGA)m = 2575 +/- 100 K is significantly lower than the LDA one, but the difference between the GGA and the LDA is greatly reduced at high pressure. The LDA zero pressure melting slope is dT/dp approximately 100 K/GPa, which is more than 3 times higher than the currently available experimental one from Zerr and Boehler [Nature (London) 371, 506 (1994)]. At the core mantle boundary pressure of 135 GPa MgO melts at Tm = 8140 +/- 150 K.     

一维Fibonacci准周期Frustrated Ising模型的热力学特性

分别给出周期和自由边界条件下求解一维Fibonacci准周期Frustrated Ising模型的配分函数的方法。研究它的低温热力学性质,发现当温度趋于零时,其热力学函数在参数b/J=2/(2m+1)(m为正整数)处发生尖锐的变化。分析了零温时系统在不同参数范围内的基态构形,对计算的结果进行了解释。 关键词：     

Hydrodynamic interactions in Brownian dynamics: I. Periodic boundary conditions for computer simulations

Because of the long range nature of hydrodynamic interactions, the problem of boundary conditions on a finite simulation cell of a hydrodynamically dense suspension of particles in Brownian motion is quite as complicated as the analogous problem in simulation of the statistical mechanics of charged and dipolar systems. One resolution of this problem is to use periodic boundary conditions and to view them as a way of describing a physical system composed of a large spherical array of periodic replicas of the simulation cell. The hydrodynamic interactions are calculated using the quasi-static linearized Navier-Stokes equation. This requires that the suspending fluid velocity remains small throughout the array. That the sum of the particle velocities in the simulation cell be zero is insufficient to force boundedness of the fluid velocity as the array becomes large. Boundedness in the array of the suspending fluid velocity is achieved if a rigid wall boundary condition is applied at the outer edge of the array as the array becomes large. With this condition the net particle velocity equals zero condition is not needed. The condition allows lattice sum representations for the suspending fluid velocity to be derived. These lattice sums are absolutely and rapidly convergent and periodic. Representations of the velocity in the array with boundary condition allow calculation of mobility tensors which are also periodic and can be evaluated numerically in tolerable amounts of computer time. A major effect of these calculations is to identify the physical model system corresponding to a truly periodic fluid velocity and mobility tensor as a large array with rigid wall boundary condition.     

Cryogenic microjet source for orthotropic beams of ultralarge superfluid helium droplets

Liquid 4He at pressures P(0)=0.5-30 bars and temperatures T(0)=1.5-4.2 K is discharged into vacuum through two different 2 microm nozzles. The velocities of the beam of particles obey the Bernoulli equation down to 15 m/sec. With decreasing T0 and increasing P0 the velocity and angular distributions become exceedingly narrow with Deltav/v less or similar 1% and Deltatheta less or similar 1 mrad. Optical observations indicate that the beam consists of micron-sized droplets (N greater or similar 10(9) atoms). This new droplet source provides opportunities for novel experimental studies of superfluid behavior.     

氩等离子体射流冲击平板壁面处电子温度的测量

本文对空气环境中氩等离子体射流冲击平板条件下冷壁附近的电子温度，采用静电探针方法进行了测量．研究了等离子体温度、速度以及平板至发生器出口距离等参数的影响．实验结果表明，在冷壁面附近，电子温度总是明显高于相应的重粒子温度，从而证明在等离子体射流冲击平板条件下冷壁附近的边界层显著偏离局域热力学平衡（ＬＴＥ）状态．实验结果还表明，探针污染是影响测量结果可靠性的一个重要因素．     

Collective effects in grain boundary migration

In situ high-resolution transmission electron microscopy is used to study grain boundary structure and kinetics in bicrystalline Au films at elevated temperature. We report the first direct evidence for the existence of cooperative atomic motion in grain boundary migration. Certain nanoregions at grain boundaries, typically involving up to several hundred atoms, are found to switch back and forth between neighboring grains. Reversible structural fluctuations at temperatures near 0.5T(m) and above have been discovered in [110] and [001] tilt, as well as in general grain boundaries.     

The dynamics of macroparticles in a direct current glow discharge plasma under microgravitation conditions

The dynamics of large-sized (70-180 μm) spherical bronze particles in a direct current glow discharge plasma was studied experimentally under microgravitation conditions. The temperatures, velocities, pair correlation functions, and self-diffusion coefficients of macroparticles were measured at various discharge currents. The charges of dust particles (on the order of 10⁶ e) corresponded to high surface potentials of about 30–40 V. The experimental data were in close agreement with the simulation data on Yukawa systems with weak screening of dust charges. The influence of macroparticles on equilibrium ionization in a dense dust cloud was considered.     

Generation of Turbulent Inflow Data for Spatially-Developing Boundary Layer Simulations

A method for generating three-dimensional, time-dependent turbulent inflow data for simulations of complex spatially developing boundary layers is described. The approach is to extract instantaneous planes of velocity data from an auxiliary simulation of a zero pressure gradient boundary layer. The auxiliary simulation is also spatially developing, but generates its own inflow conditions through a sequence of operations where the velocity field at a downstream station is rescaled and re-introduced at the inlet. This procedure is essentially a variant of the Spalart method, optimized so that an existing inflow–outflow code can be converted to an inflow-generation device through the addition of one simple subroutine. The proposed method is shown to produce a realistic turbulent boundary layer which yields statistics that are in good agreement with both experimental data and results from direct simulations. The method is used to provide inflow conditions for a large eddy simulation (LES) of a spatially evolving boundary layer spanning a momentum thickness Reynolds number interval of 1530–2150. The results from the LES calculation are compared with those from other simulations that make use of more approximate inflow conditions. When compared with the approximate inflow generation techniques, the proposed method is shown to be highly accurate, with little or no adjustment of the solution near the inlet boundary. In contrast, the other methods surveyed produce a transient near the inlet that persists several boundary layer thicknesses downstream. Lack of a transient when using the proposed method is significant since the adverse effects of inflow errors are typically minimized through a costly upstream elongation of the mesh. Extension of the method for non-zero pressure gradients is also discussed.     

正冲击波后固壁表面颗粒的上升运动

为揭示固壁表面颗粒的冲击波夹卷本质,模拟垂直于固壁表面的正冲击波后单个颗粒的上升运动.假定颗粒初始时刻处于气载状态(因波的反射或碰撞离开壁面),受Saffman升力、气动阻力和重力作用.模型方程为波后定常气流边界层方程和颗粒运动常微分方程,分别用单参数法和四阶龙格库塔法求解.计算颗粒速度与轨迹表明:颗粒的冲击波卷扬动力...     

垂直转子轴式黏性泵内部流动LBM模拟

为了对垂直转子轴式黏性泵内部流动规律进行研究,采用格子Boltzmann法(LBM)对该泵模型全流场进行了数值模拟。采用具有二阶精度的弯曲固壁边界条件和基于插值公式的移动固壁边界条件,对具有圆形、矩形及方形等3种不同截面形状转轴的模型泵内部定常与非定常流动进行了计算,得到了模型泵体出口剖面处x方向速度分量平均值。结果表明,具有圆形截面形状转轴的泵送效果较另两种截面形状的转轴为佳,计算所得的出口剖面处x方向速度分量平均值与文献中实验结果吻合良好。     

LY-12铝高温凝聚态动力学性质研究——高温弹性模量的测定

 金属材料的高温动态力学性能是材料科学领域中的重要方面。本文介绍LY-12合金铝在常温至450 ℃的温度区间内和动载下（应变率为10³/s），材料弹性模量的研究。此项研究采用的试验装置为一维Hopkinson压杆及管式高温炉。应用一维弹性应力波传播理论，测得LY-12铝试件在不同温度T条件下的声速c(T)，按照c(T)=[E(T)/ρ(T)]^1/2，获得杨氏模量E(T)随温度的变化曲线。     

An experimental study of hydrogen autoignition in a turbulent co-flow of heated air

The autoignition behaviour of hydrogen in a turbulent co-flow of heated air at atmospheric pressures was examined experimentally. Turbulent flows of air, with temperatures up to 1015 K and velocities up to 35 m/s, were set up in an optically accessible tube of circular cross-section. The fuel, pure or diluted with nitrogen, was continuously injected along the centreline of the tube, with velocities equal to or larger than those of the air, and temperatures that were lower. The fuel mixing patterns hence obtained were akin to diffusion from a point source or to an axisymmetric jet within a co-flow. For a relatively wide range of temperatures and velocities, a statistically steady condition of randomly occurring autoignition kernels was observed, whose axial location was measured by hydroxyl radical chemiluminescence. The probability density function of autoignition location was sharp enough to allow the accurate determination of a minimum autoignition length and smooth enough to allow the mean and variance to be calculated. It was found that both autoignition lengths increased with the air velocity and decreased with the air temperature, as expected. An estimate of the residence time up to autoignition showed that the autoignition delay times increased with the air velocity for the same temperature, suggesting a delaying effect of the turbulence on autoignition. The connection between these findings and previous experimental and direct numerical simulation studies is discussed.     

Combined experimental and computational study of laminar, axisymmetric hydrogen–air diffusion flames

We investigate the structure of two-dimensional, axisymmetric, laminar hydrogen–air flames in which a cylindrical fuel stream is surrounded by coflowing air, using laser-diagnostic and computational methods. Spontaneous Raman scattering and coherent anti-Stokes Raman scattering (CARS) are used to measure the distributions of major species and temperature. Computationally, we solve the governing conservation equations for mass, momentum, energy, and species, using detailed chemistry and transport. The fuel is diluted with nitrogen (1:1) to reduce heat transfer to the burner, to match the zero temperature gradient at the fuel exit. Three average fuel exit velocities are studied: 18, 27, and 50 cm/s. Comparisons of the measured and computed results are performed for radial profiles at a number of axial positions, and along the axial centerline. Peak major species mole fractions and temperatures are quantitatively predicted by the computations, and the axial species profiles are predicted to within the experimental uncertainty. In the radial profiles studied, base-case computations excluding thermal diffusion of light species were in excellent agreement with the measurements. While the addition of thermal diffusion led to some discrepancy with the measured results, the magnitude of the differences was no more than 25%. The computations predicted the axial centerline profiles from the burner exit to the maximum temperature well, though the experimental temperatures in the downstream mixing region decreased somewhat faster than the computed profiles. Radiative losses are seen to be negligible in these flames, and changes in transport properties and variations in initial flow velocities generally led to only modest changes in the axial profiles. The results also show that the detailed axial profiles of major species and temperature at different fuel jet velocities scale quantitatively with the jet velocity.     

Two-kaon correlations in central Pb+Pb collisions at 158 a GeV/c

Two-particle interferometry of positive kaons is studied in Pb+Pb collisions at mean transverse momenta approximately 0.25 and 0.91 GeV/c. A three-dimensional analysis was applied to the lower p(T) data, while a two-dimensional analysis was used for the higher p(T) data. We find that the source-size parameters are consistent with the m(T) scaling curve observed in pion-correlation measurements in the same collisions, and that the duration time of kaon emission is consistent with zero within the experimental sensitivity.     

金属凝固与晶体生长过程的蒙特卡罗模拟

采用导热的有限差分计算与图形蒙特卡罗方法相结合的手段,模拟了不同的冷却条件,熔体初温以及杂质含量情况下的金属凝固及其晶体生长过程。模拟得了与典型的边界冷却凝固实验相一致的微观组织结构,同时,通过对模拟结果的分析,总结了不同的冷却条件、熔体初温以及含杂质情况对金属凝固组织的一些影响规律。     

Comparison of experiments and computations for cold gas spraying through a mask. Part 2

This paper presents experimental and simulation results of cold spray coating deposition using the mask placed above the plane substrate at different distances. Velocities of aluminum (mean size ~ 30 μm) and copper (mean size ~ 60 μm) particles in the vicinity of the mask are determined. It was found that particle velocities have angular distribution in flow with a representative standard deviation of 1.5–2 degrees. Modeling of coating formation behind the mask with account for this distribution was developed. The results of model agree with experimental data confirming the importance of particle angular distribution for coating deposition process in the masked area.     

On the behavior of the surface tension for spin systems in a correlated porous medium

We investigate the behavior of various spin-systems that are subject to the highly correlated and extremely diluted quenched disorder as provided by the fractal aerogel model. For these systems, it is (easily) established that, at all temperatures, the free energy is identical to that of the corresponding uniform system. The surface tension, however, behaves quite differently. Foremost, at any fixed temperature corresponding to the low temperature phase in the uniform system, there is a non-trivial curve in the aerogel phase plane dividing high-temperature behavior (zero surface tension) from low-temperature behavior (positive surface tension). The fractal aerogel has two distinctive phases in its own right: gel and sol. In the gel phase, the spin system has zero surface tension at all temperatures. In one region of the sol phase, the surface tension is shown to be equal to its value in the uniform system. Since part of this region borders on the gel phase, a certain portion of the sol/gel phase boundary is also the dividing line between high- and low-temperature behavior. Evidently, in this case, the surface tension is discontinuous at the phase boundary. on the other hand, there are well-defined length scales that diverge as the phase boundary is approached. This demonstrates an absence of scaling in these systems.     

The Boundary Structure of Zero-Temperature Driven Hard Spheres

We study the fundamental problem of two gas species whose molecules collide as hard spheres in the presence of a flat boundary and with dependence on only one space dimension. More specifically the steady linear problem considered is the one arising when the second gas dominates as a flow moving towards the boundary with constant microscopic velocity (and hence zero temperature). Theboundary condition adopted consists of prescribing the outgoing velocity distribution of the firstgas at the boundary. It is discovered that the presence of the boundary under general assumptions on the outgoing distribution ensures the convergence of a series of path integrals resulting in a convenient representation for the distribution of the velocities of the molecules returning at the boundary.     

Muon transfer in excited states of muonic hydrogen probed by Lyman X-rays with an advanced Si(Li) detector

Longitudinal cooling forces have been measured for heavy ions from C⁶⁺ to U⁹²⁺ at various energies from 50 to 360 MeV/u. Two experimental methods are described which offer the opportunity to measure the cooling force over the whole range of relative ion velocities from zero to 10⁷ m/s. Measurements for various ion species are presented which show a pronounced deviation from the expected q² scaling in the regime of low relative ion velocities. Further investigations concerning the influence of the magnetic field strength in the cooler revealed no significant influence.     

冲击波作用下铝的等效剪切模量

提出了冲击波作用下通过测量沿着准弹性卸载过程纵波波速与体波波速得到等效剪切模量的方法,应用该方法对LY12铝在20—70 GPa冲击压力下的等效剪切模量进行了测量.实验结果表明,等效剪切模量随应力线性减少直至反向屈服时为零,而初始卸载时的等效剪切模量可以由修正的Steinberg-Cochran-Guinan模型进行描述.应用得到的等效剪切模量进行了初步数值模拟,计算结果与实验测量的粒子速度剖面符合很好,重现了准弹性卸载到塑性卸载的光滑过渡. 关键词： 等效剪切模量 波速 准弹性卸载 冲击波 铝