Thermal helium clusters at 3.2 Kelvin in classical and semiclassical simulations

The thermodynamic stability of⁴He_4–13 at 3.2 K is investigated with the classical Monte Carlo method, with the semiclassical path-integral Monte Carlo (PIMC) method, and with the semiclassical all-order many-body method. In the all-order many-body simulation the dipole-dipole approximation including short-range correction is used. The resulting stability plots are discussed and related to recent TOF experiments by Stephens and King. It is found that with classical Monte Carlo of course the characteristics of the measured mass spectrum cannot be resolved. With PIMC, switching on more and more quantum mechanics. by raising the number of virtual time steps results in more structure in the stability plot, but this did not lead to sufficient agreement with the TOF experiment. Only the all-order many-body method resolved the characteristic structures of the measured mass spectrum, including magic numbers. The result shows the influence of quantum statistics and quantum mechanics on the stability of small neutral helium clusters.     

A RAPID APPROXIMATION FOR PREDICTING THE HYDROCARBON DISCOVERY RATE: PART 1. ASSESSING THE ACCURACY

The hydrocarbon discovery prediction problem is important to firms having to make decisions about the deployment of scarce exploration resources. Traditional methods for estimating the discovery rate rely on the completion of time consuming simulation experiments. A rapid approximation that does not require the completion of simulation exists and has been shown to have some promise as a prediction tool. This paper investigates the accuracy of the approximation method under a wide variety of distributional and drilling efficiency assumptions. The results indicate that the approximation produces predictions close to those of simulation under most of the tested conditions. This suggests that resource exploration firms could conveniently use the method for a wide variety of planning purposes without incurring the same costs in time and personnel required for simulation.     

微裂纹扩展中的分形现象及其计算机仿真

本文探讨了采用仿真技术研究微裂纹连接过程和生成分形断口表面的可行性，发展了用于仿真微裂纹随机生长行为的ＧＯ模型的基本构相，并进行了计算机仿真实验，由此得出了一此有的结论。     

曙光一号自由电子激光器的理论计算

系统总结曙光一号自由电子激光器理论计算的主要结果:包括曙光一号装置主要参数的选取和理解;磁场失谐曲线的计算;常参数摇摆器和变参数摇摆器的主要结果;高阶波导模的贡献;电子束参数扰动对激光性能的影响;空间电荷效应等。计算结果表明,常参数摇摆器激光输出功率可达80MW,效率约50％;变参数摇摆器激光输出功率可达250MW左右,效率约16％。     

高功率振荡器锁相的粒子模拟

用粒子(PIC,Particle-in-Cell)模拟方法研究了当前颇感兴趣的高功率振荡器的锁相问题。给出了模拟计算结果。讨论了锁相(Phase Locking)、Priming和InjectionSeeding等概念的区别。     

三维射频加速腔程序包MAFIA的开发和应用

介绍了三维射频加速器计算机辅助设计(CAD)程序包MAFIA的特点、功能及其应用。用CAD的方法实现了射频加速器特别是非轴对称带耦合腔的加速器的三维腔形设计。同时介绍了节省内存、节约机时的模型方法,使得在中小型机器上运行大程序(八万条)成为可能。文章主要对L波段的加速腔进行了数值模拟,并和实验进行了比较,结果符合较好;通过三维数值模拟及图形模拟的方法比较了各种形状谐振腔的性能;计算分析了输入耦合腔及高阶模耦合器对加速腔电磁场分布等参量的影响;提出了加耦合器后谐振频率改变的补偿方法。     

斜孔气膜冷却数值模拟分析

本文通过数值模拟分析圆柱孔和扩散孔的单斜孔气膜冷却特性,考察复合角、孔型和吹风比对流场和气膜冷却效果的影响。结果表明,复合角的引入使气膜侧向分布更宽,但冷却效果沿主流方向衰减更快。适中吹风比得到的气膜能更有效的保护壁面。在相同吹风比和复合角条件下,扩散孔的气膜冷却效率比圆柱孔更好,且冷却更为均匀持久。     

Molecular dynamics simulation of entropy and surface tension for grain boundary of α-Fe

The grain boundary is an interface and the surface tension is one of its important thermodynamic properties. In this paper, the surface tension of the ∑9 grain boundary for α-Fe at various temperatures and pressures is calculated by means of Computer Molecular Dynamics (CMD). The results agree satisfactorily with the experimental data. It is shown that the contribution of entropy to surface tension of grain boundary can be ignored. The project supported by the National Natural Science Foundation of China and the Science Foundation of Chinese Academy of Sciences.     

CdZnTe核探测器的蒙特卡罗模拟的初步研究

以CdZnTe核探测器的工作原理为依据,探测器内反应的随机性和反应产生的电子空穴对数目的统计规律为物理模型,应用Visual C + + 自行编制了蒙特卡罗模拟软件.模拟了γ射线在CdZnTe探测器中的响应能谱,并将模拟结果与实际器件的测试结果进行了比较讨论.模拟能谱与实际测得的能谱的主峰符合较好.此外,通过分析⁵⁷Co源辐照下探测效率与器件厚度的关系,可以推测探测效率达到最大时所对应CdZnTe探测器的理想厚度     

Differential density matrix overlap: an index for assessment of electron correlation in atoms and molecules

Summary A new index, called the differential density matrix overlap (DDMO), is proposed for assessment of the electron correlation effects in atoms and molecules. DDMO can be easily calculated as the negative value of the correlation energy derivative with respect to the relative position of the occupied and virtual orbitals. DDMO is transparent to physical interpretation. It can serve as a tool for analyzing the accuracy of approximate electron correlation methods and the validity of the Hartree-Fock wavefunction as the zeroth-order approximation. The properties of DDMO are discussed using test calculations on 11 atoms and molecules as an example.