固态氦的理论等温压缩线

 基于团簇理论并计及邻近和次邻近原子对中心原子的屏蔽作用，我们用完全量子力学方法计算了hcp结构固态氦的原子多体作用排斥势和等温压缩线。计算结果与5~25 GPa范围的静高压实验结果吻合较好。表明本文方法与过去提出的原子相互作用势相比，是合理的和比较好的。本文还对Aziz二体势、Loubeyre三体势和Ross和Young等效势的局限性做了讨论。     

压缩氦原子团簇Hen（n＝3，4，5）排斥势及其多体展开分量计算

 采用Lowdin方法计算了处于压缩状态的氦原子团簇He_n（n＝3，4，5）的排斥势及其多体展开分量。发现随原子数目或压缩度增大，多体展开式的收敛性变差。多体展开式中两体势分量、四体势分量为正值，三体势分量和五体势分量为负值。因此，在进行近似处理时，两体近似法计算的排斥势偏高。经三体修正后的排斥势必然偏低。该计算结果与最新的实验结果定性符合。发现四体势和五体势分量对高密度氦状态方程仍然具有重要贡献。     

多体作用对氦原子团簇He9压缩特性的贡献

 采用Lowdin方法计算了处于压缩状态的氦原子团簇He₉体心立方向型的排斥势及其多体分量，并由此计算出团簇微观压强及其多体分压强。结果发现，多体作用对氦原子团簇He₉压缩特性贡献较大。在相同体积下，由两体近似方法计算的体系压强比多原子体系实际压强偏高10%~30%；考虑三体分压强修正后，近似理论的计算值又会偏低1.5%~10%；只有同时考虑三体、四体修正后，近似理论计算值与实际多原子体系的压强值基本一致。团簇He₉所表现出的压缩特性与固态氦的实验结果相符合。     

四体相互作用对固氦压缩特性的贡献

运用从头计算自洽场方法和原子团簇理论计算了高压下固氦原子间的四体势分量.计算结果表明四体分量对结合能的贡献为正；随着压缩度增大四体势的贡献比例变大.采用两体、三体、四体势和Aziz吸引势计算固氦零温状态方程并与实验测量相比较，结果表明两体势对固氦的压缩性贡献了过多的正效应，加入三体分量的修正，仅在低于10GPa时理论值与实验值相符很好，但考虑了四体势修正后能将理论值与实验值符合程度提高到 27GPa. 关键词： 状态方程 固氦 四体势 从头计算     

利用WBEPM模型和稳定变分法计算氦原子的极化率和色散系数

以最弱受约束电子势模型(WBEPM)理论为基础,建立了计算氦原子多极动态极化率和相互作用色散系数的稳定变分方法.导出了该方法中所涉及的矩阵元和线性方程组的解析表达式.作为应用,具体计算了基态氦原子的极化率和两体色散系数,将计算结果与用其他方法所得到的结果进行了比较, 数据基本一致.     

利用WBEPM模型和稳定变分法计算氦原子的极化率和色散系数

以最弱受约束电子势模型(WBEPM)理论为基础,建立了计算氦原子多极动态极化率和相互作用色散系数的稳定变分方法 .导出了该方法中所涉及的矩阵元和线性方程组的解析表达式.作为应用,具体计算了基态氦原子的极化率和两体色散系数,将计算结果与用其他方法所得到的结果进行了比较,数据基本一致.     

采用从头计算方法研究液态氦原子间等效对势

 提出了一种具有体心立方排列的原子团簇He₉模型,用于模拟液氦中邻近原子的近程平均分布特征,并运用量子从头计算方法和原子团簇理论计算技术,首次从理论上计算了液态氦原子间等效作用对势。计算给出的等效对势能较好地再现液氦的等温压缩线及冲击压缩线,所提出的液体等效结构的原子团簇模型能比较合理地描述液氦近程结构特征以及原子间多体相互作用规律。还将理论对势函数与经验Exp-6势进行了比较。     

激光场中极化势对电子-氦原子散射影响

构建含有极化势的静电屏蔽势和单纯的静电屏蔽势这两种原子势模型,应用第二玻恩近似（SBA）理论,分别对激光场中电子-氦原子散射截面进行了理论计算。对比实验结果发现含有极化势的静电屏蔽势给出的结果与实验符合较好。表明极化势在激光辅助电子-原子散射中起着重要作用。     

高温高密度条件下氢分子间三体与四体相互作用

 为描述高温高密度条件下氢分子间复杂的多体相互作用，以Ree和Bender对两个氢分子间平均作用势的CI计算结果为基础，提出一种可以描述旋转氢分子外域电子云分布的等效氦原子模型。采用该模型所计算的氢分子三体势与CI计算结果符合较好。还对氢分子间四体势进行了计算。     

嵌入原子法计算金属钚中点缺陷的能量

钚因放射性衰变而出现老化效应.钚中点缺陷的性质和行为是理解钚老化效应的一个基础和前提.运用分子动力学模拟技术,计算了金属钚中点缺陷和点缺陷团簇的形成能和结合能.其中钚-钚、钚-氦和氦-氦相互作用势分别采用嵌入原子多体势、Morse对势和Lennard-Jones对势.计算结果表明,单个自间隙原子易以〈100〉哑铃状形态存在;间隙氦原子在理想晶格的八面体间隙位置相对较为稳定;氦原子与空位的结合能较大,在钚的自辐照过程中两者易于结合并形成氦-空位团簇;氦-空位团簇的形成能随氦原子数的增加而增大,当氦与空位的数     

Analysis and time-delay synchronisation of chaotic satellite systems

The effect of depth and location of a triple-well potential on vibrational resonance is investigated in a quintic oscillator driven by a low-frequency force and a high-frequency force. The values of low-frequency \(\omega \) and amplitude g of the high-frequency force at which vibrational resonance occurs are derived both numerically and theoretically. It is found that: as \(\omega \) varies, at most one resonance takes place and the response amplitude at resonance depends on the depth and the location of the potential wells. When g is altered, the depth and location of wells can control the number of resonances, resulting in two, three and four resonances. The system parameters can be adjusted by controlling the depth and position of the wells to achieve optimum vibrational resonance. Furthermore, the changes induced by these two quantities in the tristable system are found to be richer than those induced in bistable systems.     

The Hard Thermal Loops and the Self-consistent Calculation of the Effective Potential

By developing the "tadpole graph method" including the resummation of the hard thermal loops in the tadpole diagrams, a self-consistent method is proposed in the calculation of effective potential. It is shown that the calculated effective potential at finite temperature in the Higgs model is more selEconsistent than the naive calculation. The two difficulties encountered in the naive calculations of the effective potential disappear naturally, The calculated results indicate that the symmetry restoration transition is of the first order.     

FexO-SiO2-CaO-MgO-“NiO”系镍渣势函数及分子动力学模拟

从非经验参数角度构建基于两原子模型的Fe_xO-SiO₂-CaO-MgO-"NiO"渣的势函数,利用分子动力学模拟揭示调控镍渣组分与结构及物理化学性能之间的关系。结果表明： BMH（Born-Mayer-Huggins）势函数能够较好表征Fe_xO-SiO₂-CaO-MgO-"NiO"系镍渣的势能。当镍渣中CaO含量为15 wt.%时,Si⁴⁺-Si⁴⁺间配位数最小,此时熔渣的聚合度最低,有利于扩散。当Fe元素由Fe²⁺转换为Fe³⁺后,和O^2-结合能力更强,会导致熔渣更难以扩散,因而镍渣的黏度迅速升高,造成冶炼条件恶化,因此在镍闪速熔炼时要严格控制Fe²⁺/Fe³⁺的比例。模拟计算的黏度与实测值吻合较好,表明构建的势函数能够较好地反映镍渣的物化性能。     

Equivalence Postulate and Quantum Origin of Gravitation

We suggest that quantum mechanics and gravity are intimately related. In particular, we investigate the quantum Hamilton–Jacobi equation in the case of two free particles and show that the quantum potential, which is attractive, may generate the gravitational potential. The investigation, related to the formulation of quantum mechanics based on the equivalence postulate, is based on the analysis of the reduced action. A consequence of this approach is that the quantum potential is always non-trivial even in the case of the free particle. It plays the role of intrinsic energy and may in fact be at the origin of fundamental interactions. We pursue this idea, by making a preliminary investigation of whether there exists a set of solutions for which the quantum potential can be expressed with a gravitational potential leading term which alone would remain in the limit 0. A number of questions are raised for further investigation.     

A new approach to potential scattering

Potential scattering calculations based onCalogero's equation and given in two former papers are now improved to include unitarity of theS-matrix. It is shown that the method gives results better than the second Born approximation and even reasonable in the two limits of very strong coupling and very low energies. As test examples, the square-well potential and the Yukawa potential are discussed.     

Three-body treatment of Coulomb effects in the problem of long-range effective interactions

The problem of Coulomb scattering of a charged particle by a two-particle bound system, consisting of a charged and a neutral particle, is investigated in the integral-equation approach of rigorous three-body theory. The bound state of the two particles is provided by a short-range interaction chosen in the simplest form using anS-wave separable potential. The integral equation defining the effective potential of the interaction of the charged particle with the two-particle bound system is formulated. It is shown that the multiple Coulomb scattering of the involved charged particles generates a sequence of long-range terms in the effective potential. It turns out that the long-range effects of Coulomb scattering are partly cancelled. As a result the polarization potential does not contain the longest-ranged terms which decrease at large distances as ^–2 and ^–3.     

Nuclear symmetry energy in terms of single-nucleon potential and its effect on the proton fraction of <Emphasis Type="Italic">β</Emphasis>-stable <Emphasis Type="Italic">npeμ</Emphasis> matter

Momentum and density dependence of single-nucleon potential u_τ (k, ρ, β) is analyzed using a density dependent finite range effective interaction of the Yukawa form. Depending on the choice of the strength parameters of exchange interaction, two different trends of the momentum dependence of nuclear symmetry potential are noticed which lead to two opposite types of neutron and proton effective mass splitting. The 2nd-order and 4th-order symmetry energy of isospin asymmetric nuclear matter are expressed analytically in terms of the single-nucleon potential. Two distinct behavior of the density dependence of 2nd-order and 4th-order symmetry energy are observed depending on neutron and proton effective mass splitting. It is also found that the 4th-order symmetry energy has a significant contribution towards the proton fraction of β-stable npeμ matter at high densities.     

Kaon condensation, black holes, and cosmological natural selection

It is argued that a well-measured double neutron-star binary in which the two neutron stars are more than 4% different from each other in mass or a massive neutron star with mass M > or approximately 2M(middle dot in circle) would put in serious doubt or simply falsify the following chain of predictions: (1) a nearly vanishing vector meson mass at chiral restoration, (2) kaon condensation at a density n-3n0, (3) the Brown-Bethe maximum neutron-star mass Mmax approximately 1.5M(middle dot in circle), and (4) Smolin's "cosmological natural selection" hypothesis.     

Harmonic mixing in a cosine potential for large damping and arbitrary field strengths

A complete numerical treatment is given for the dc harmonic mixing signal of two ac electric fields of frequences and 2. Mixing occurs due to a charged Brownian particle in a cosine pinning potential. Nonlinear responses to pinning potential strength as well as to ac field strengths are computed using the method of matrix continued fraction expansion within a Smoluchowski treatment. Relevant ranges of all the parameters of the model are considered, i.e. strength of pinning potential, fundamental frequency, the two ac field strengths as well as temperature and the phase relation between the exciting fields. It is found that strong deviations from the predictions of cubic response theory occur at scaling field strengths sufficient to give the charge an energy gain ofk _BT when it traverses one potential trough. For even larger field strengths the harmonic mixing signal falls off rapidly. Higher order than cubic responses also show up in a peculiar dependence of the mixing signal on the phase angle between the ac fields.     

2009年一次华北强桑拿天气过程的动力识别

本文数值模拟并诊断分析了2009年7月华北的一次桑拿天过程, 分析了高温高湿天气的环流特征, 温度、 湿度的水平和垂直分布特征, 位涡分布特征等. 分析发现, 此次桑拿天事件高层为反气旋性环流的高压控制, 水平分布图上, 低层相对湿度大. 垂直剖面上, 中低层为下沉气流和暖湿区, 有明显的水汽梯度和垂直温度梯度, 有倾斜的位涡分布. 既然桑拿天发生在夏季普遍高温的大环境之下, 因此靠单纯的温度或湿度来动力识别和诊断桑拿天, 有较大难度. 本文抓住华北地区桑拿天过程高温、 高湿、 高位涡的特点, 引入一个适合于桑拿天的湿热力位涡参数(MTPV, 它表示为▽ q · (▽ θ × ▽ Q), 这里q是湿度, 表示为大气或者云中水汽和所有水凝物的总和, θ 是位温, Q是位涡), 对桑拿天进行动力诊断分析, 并通过实际个例的计算分析作出简化. 个例分析发现, 此次高温高湿的桑拿天过程伴随MTPV的异常. 虽然2009年7月此次华北地区桑拿天过程有较高的温度, 较大的湿度和倾斜位涡发展, 但是单个变量的范围远大于我们要研究的华北地区桑拿天的爆发范围. 而结合这三个变量引入的MTPV及其简化形式, 无论从经向还是纬向剖面图来看, MTPV的异常大值区相对集中在北京及其周边的华北地区对流层的低层, 并维持. 因而, MTPV及其简化形式均能对此次高温高湿的桑拿天进行较好的动力识别。