The effect of second neighbour repulsion on fcc binary alloy phase diagrams: A Monte Carlo study

We report the results of the Monte Carlo simulation of the phase diagram of fcc binary alloys using a 3-D Ising model with nearest and next-nearest neighbour repulsive interactions. Calculations are carried out for a ratio of second- to first-neighbour interaction energies of 0.4. The resulting phase diagram contains three superstructures A₂B₂, A₂B and A₅B, each separated by a disordered fcc phase. There was no evidence for the formation of an A₃B phase. These results are in qualitative agreement with CVM results.     

并联倒锥黑体腔

处于并联态的几个等角倒锥嵌于腔体开口端,其间的细长狭缝几乎能耗尽腔体的入射光能,以此概念模拟黑体得ε=0.99999999的大口径黑体模拟器。     

Interfacial segregation in Ag-Au,Au-Pd,and Cu-Ni alloys: I. (100) surfaces

Atomistic simulations of segregation to (100) free surface in Ag–Au, Au–Pd, and Cu–Ni alloy systems have been performed for a wide range of temperatures and compositions within the solid solution region of these alloy phase diagrams. In addition to the surface segregation profiles, surface free energies, enthalpies, and entropies were determined. These simulations were performed within the framework of the free energy simulation method, in which an approximate free energy functional is minimized with respect to atomic coordinates and atomic site occupation. The effects of the relaxation with respect to either the atomic positions or the atomic concentrations are discussed. For all alloy bulk compositions (0.05 C 0.95) and temperatures (400 T(K) 1,100) examined, Ag, Au, and Cu segregates to the surface in the Ag–Au, Au–Pd, and Cu–Ni alloy systems, respectively. The present results are compared with several theories for segregation. The resultant segregation profiles in Au–Pd and Ag–Au alloys are shown to be in good agreement with an empirical segregation theory, while in Cu–Ni alloys the disagreement in Ni-rich alloys is substantial. The width of the segregation profile is limited to approximately three to four atomic planes. The surface thermodynamic properties depend sensitively on the magnitude of the surface segregation, and some of them are shown to vary linearly with the magnitude of the surface segregation.     

On the Landau-Teller approximation for energy exchanges with fast degrees of freedom

We revisit the Landau-Teller heuristic approach to adiabatic invariants and, following Rapp, use it to investigate the energy exchanges between the different degrees of freedom, in simple Hamiltonian systems describing the collision of fast rotating or vibrating molecules with a fixed wall. We critically compare the theoretical results with particularly accurate numerical computations (quite small energy exchanges, namely of one part over 10³⁰, are measured).     

捷联寻北信号采集系统研究

基于捷联寻北信号采集系统,提出了一种在不同地理纬度下准确获得陀螺数据拟合曲线的方法。首先计算得出了在不同地理纬度下动调陀螺输出的电流大小,根据其变化调整信号采集模块的采样电阻值,设计了基于数字电位器的自调整采样电阻系统;然后数据处理系统根据采集到的陀螺信号自动计算工作地点的地理纬度,自调整采样电阻系统通过地理纬度自动设置采样电阻的阻值,进而获得准确的数据拟合曲线。本方法确保了寻北仪在不同地理纬度时满足寻北精度要求,适应性强,稳定性高。     

超声珩磨区实际气体的单空泡动力学分析

为进一步揭示功率超声振动的珩磨机理,以珩磨液为工作介质,研究了功率超声珩磨环境中实际气体的单空泡动力学特性。基于Rayleigh-Plesset方程,应用实际气体绝热方程和范德瓦尔斯方程对其进行了修正,建立了功率超声珩磨环境中实际气体的单空泡动力学方程以及实际气体单空泡共振频率方程。并运用4~5阶RungeKutta法模拟了不同超声条件(声压幅值、空泡初始半径、振动频率)对泡壁的运动以及运动速度的影响。结果表明:较高的声压幅值,空泡理论共振半径R'0与初始半径R0的比值为102数量级以及较低的超声频率有利于超声珩磨磨削区空化效应的发生。     

一种模拟热导率的非平衡分子动力学方法

提出一种计算热导率的非平衡分子动力学(NEMD)方法,通过构造均匀内热源获得抛物线形温度分布,并基于Fourier导热定律计算热导率,与Müller-Plathe发展的反扰动非平衡分子动力学(RNEMD)方法相比,不仅具有能量动量守恒和收敛性好的优点,还克服了常规NEMD方法中热冷源区域存在局域热力学非平衡的问题,并有模拟系统温差影响小的特点.对液态氩的热导率进行模拟并与RNEMD方法的模拟结果进行对比.     

基于界面跟踪方法的汽蚀模型和算法的有效性验证

针对两相附着汽蚀流动机理,基于界面跟踪方法发展了新的汽蚀模型和算法。所发展的汽蚀模型和算法不仅考虑了液相／气相界面处的压力差,而且考虑了耦合Reynolds-Averaged Navier-Stokes方程求解技术得到的流场压力梯度信息来迭代计算附着汽蚀形状。采用具有试验数据的半球形头部圆柱体汽蚀绕流作为算例来验证所提出的汽蚀模型和算法的有效性。采用不同的网格数和松弛因子数值验证了发展的汽蚀模型和算法的有效性。三种汽蚀数下的数值计算结果得到的压力系数分布与试验数据完全吻合。结果表明所提出的汽蚀模型和算法能够准确模拟出汽蚀发生点和汽蚀长度。     

Nonlinear evolution of turbulent spots in the near-wall shear flow

The initial model of turbulent spots with the wall disturbance using the pulse form was proposed. A group of three-dimensional coupling compact difference schemes with high accuracy and high resolution were developed, and implemented to simulate the formation and development of turbulent spots in the near-wall shear flow by means of direct numerical simulation of the Navier-Stokes equations. Growing and decaying modes were used to analyze nonlinear evolution characteristics of the turbulent spots.     

用蒙特卡罗方法模拟直接转换X射线探测器的响应特性

采用Monte Carlo方法模拟了HgI₂、非晶Se和CdTe几种直接X射线转换探测器在医用X射线范围(10—100keV)的透过谱、背向散射谱、吸收效率和光电灵敏度. 对X射线和HgI₂的作用过程模拟采用了EGSnrc Monte Carlo代码系统, 对信号电荷的产生考虑了电荷产生的高斯噪声和材料深陷阱作用造成的部分电荷收集影响. 结果表明, 载流子平均自由程(Schubweg)在相对于探测材料厚度较小时, 陷阱作用能很大地影响探测灵敏度. HgI₂的灵敏度是非晶Se的5倍以上, CdTe的灵敏度是非晶Se的10倍以上, 采用高Z序数材料可以大大提高探测灵敏度.