量纲分析法求解辐射热传导自相似解

通过量纲分析,将辐射流体方程简化为一阶常微分方程组的形式,进而结合数值计算求得热波烧蚀自相似解。流体方程涉及的内能、状态方程表达式采用依赖于温度、密度两个参量的形式,且参数可调,适用性较广。源边界条件可为恒温、恒流、恒压、常密等情况。以恒温源为例,给出了X射线加热Au壁时烧蚀质量与烧蚀压的定标关系,与文献结果及MULTI辐射流体程序计算结果吻合较好。     

一维含化学反应流体力学方程组的ALE间断有限元方法

研究一维含化学反应流体力学方程组的数值模拟方法.结合理想气体状态方程并利用HLLC解法器在各个单元边界处的数值通量，给出ALE间断有限元方法.高阶计算时，使用TVD斜率限制器对数值解可能产生的非物理振荡进行抑制.结果表明：该算法能够保持物理量的守恒性和高精度，并能够清晰地捕捉爆轰波的结构特征.     

虚拟流体方法的设计原则

研究模拟可压缩多介质流的虚拟流体方法,建立一般状态方程下定义虚拟流体状态的基本原则.根据波系结构和使用的自由变量分别推导虚拟流体状态的定义方式.结果表明在这些方式下求解多介质Riemann问题理论上完全精确.进一步总结几种简单有效的虚拟流体方法,这些定义方式不依赖于虚拟流体区域可能产生的波系结构.其中一种类似于反射边界条件,只是界面速度需要首先精确预测出来.数值算例验证了研究结果的合理性.     

高能炸药爆速曲率关系的一种计算方法

研究平面爆轰波爆轰化学能和状态方程之间的关系,得到平面爆轰波关系式和CJ条件.基于柱坐标系下的一维流体力学方程组,采用坐标变换方法得到含曲率的爆轰波关系式及广义声速条件.在反应区内采用压力平衡和温度平衡的混合规则,在给定的复杂状态方程和复杂反应率下求解,得到PBX9404和PBX9502炸药的爆速和曲率的关系.已知炸药...     

固体炸药爆轰的一种考虑热学非平衡的反应流动模型

基于固体炸药爆轰过程中化学反应混合区内的固相反应物与气相生成物处于力学平衡状态及热学非平衡状态的事实,提出一种考虑热学非平衡效应的反应流动模型来描述固体炸药的爆轰流动现象.该爆轰流动模型的主要特点是,在反应混合物Euler方程和固相反应物质量守恒方程的基础上,通过附加一套关于固相反应物的组分物理量的流动控制方程来表达固相反应物与气相生成物之间的热学非平衡效应.根据反应混合区内固相反应物与气相生成物这两种化学组分保持各自内能守恒的混合规则,并借助它们具有压力相等的性质以及满足体积分数总和为1的条件,推导获得的附加方程有：固相反应物的内能演化方程、体积分数演化方程及反应混合物的压力演化方程.这样,建立的爆轰模型包括：反应混合物的质量守恒方程、动量守恒方程、总能量守恒方程、压力演化方程,以及固相反应物的质量守恒方程、内能演化方程、体积分数演化方程.对所获得的爆轰模型方程组采用一个时空二阶精度的有限体积法进行数值求解,典型爆轰问题算例结果表明本文提出的固体炸药爆轰模型是合理的.     

非理想气体状态方程与内能

内能公式给出：定量非理想气体经绝热自由膨胀过程后，气体的温度恒降低，但实际情况并非完全如此．本文给出新的气体状态方程与内能公式，并很好地解释了气体绝热自由膨胀和绝热节流膨胀温度变化的全部情况．     

方阱链流体在固液界面分布的密度泛函理论研究

应用Yethiraj的加权密度近似泛函理论研究平板狭缝中方阱链流体的密度分布，系统的Helm holtz自由能泛函分为理想气体的贡献利剩余贡献两部分，其中剩余贡献部分分别采用刘洪 来等人建立的基于空穴相关函数的方阱链流体状态方程和Gil-Villegas等人提出的统计缔合 流体理论状态方程(SAFT-VR)结合简单加权密度近似计算.考察了不同链长、温度、系统密度 和壁面吸引强度下平板狭缝中方阱链流体的密度分布，并与Monte Carlo(MC)模拟结果进行 了比较.结果表明采用不同的状态方程对密度分布的计算有明显的影响，对于受限于硬壁狭 缝中的方阱链流体，温度和密度比较高时，两种状态方程计算的结果均与MC模拟符合得比较 好，在低温和低密度下效果变差，SAFT-VR方程的计算结果更接近于MC模拟结果.对于受限于 方阱壁狭缝中的方阱链流体，由于系统密度分布的非均匀性加强，采用两种状态方程计算的 结果均与MC模拟结果有一定偏差，寻找更合适的权重函数是进一步改进的关键. 关键词： 密度泛函理论 非均匀流体 密度分布 固液界面 方阱链     

适用于等熵流动的交错拉氏Godunov方法

为消除传统单元中心型Godunov方法在求解稀疏波问题时的非物理过热现象，发展一种适用于等熵流动的交错拉氏Godunov方法.主要的特征是采用速度与热力学变量交错分布的形式，避免在单元内进行速度平均，从而消除由于动量平均过程导致的动能耗散.与传统的von Neumann型交错网格方法相比，网格的边界通量由节点处的多维黎曼求解器提供，克服了多维人工粘性选取带来的困难.为减少多维黎曼求解器在求解稀疏波问题时的非物理熵增，给出稀疏波出现的合理判据，从而保证了热力学关系式的满足.数值实验表明：该方法能很好地消除稀疏波的过热现象，同时在求解激波问题时又能保持与传统单元中心型拉氏方法相同的激波捕捉能力.     

棒-板电极下缩比气隙辉光放电相似性的仿真研究

建立了棒-板电极下氩气直流放电的流体模型,利用有限元法对几何位形相似的两个气隙放电过程进行了数值求解.两放电气隙外加电压相同,气隙线性尺寸的比值为10:1,气压分别为1 Torr和10 Torr.仿真得到了两相似气隙的放电的伏安特性曲线以及放电物理量(如电位、电场、电子密度、离子密度、电子温度等)的空间分布.根据气体放电相似性的基本结论,检验了气隙对应物理量之间的数值关系.结果表明:两相似气隙的放电类型为正常辉光放电,对应放电物理量之间存在相似性理论指出的比例关系,且在相同幅值的直流电压作用下,气隙放电的工作点相同.这将为利用气体放电相似性来外推相似气隙的放电特性提供一定的理论依据.     

高温高密度氢（氘）的物态方程——离解效应研究

 高温高压下流体氢将发生离解化学反应，形成具有相互作用的氢分子和氢原子混合体系，此时粒子间的相互作用复杂。利用单组分流体近似的范德瓦尔斯混合模型，将混合物粒子间的相互作用等效为单组分粒子间相互作用，从而简化了对体系的统计热力学处理；并由自由能函数极小化确定化学平衡时各组分含量、体系的内能、压强。研究了温度在10 000 K以下、密度在0.6 g/cm³以下（相应摩尔体积大于3.3 cm³/mol）区间的热致离解和压致离解现象对流体氢（氘）状态方程的影响。所得结果与双组分流体变分理论计算以及第一原理的分子动力学模拟、蒙特卡罗模拟结果以及二级轻气炮实验数据进行了比较，它们之间的一致性表明：用单组分流体近似的范德瓦尔斯混合模型处理氢（氘）分子的离解区域的物态方程是成功的。     

Homoclinic snaking: structure and stability

The bistable Swift-Hohenberg equation exhibits multiple stable and unstable spatially localized states of arbitrary length in the vicinity of the Maxwell point between spatially homogeneous and periodic states. These states are organized in a characteristic snakes-and-ladders structure. The origin of this structure in one spatial dimension is reviewed, and the stability properties of the resulting states with respect to perturbations in both one and two dimensions are described. The relevance of the results to several different physical systems is discussed.     

On the existence of hydrogen atoms in higher dimensional Euclidean spaces

The question of whether hydrogen atoms can exist or not in spaces with a number of dimensions (D) greater than 3 is revisited. The lowest quantum mechanical stable states and the corresponding wave functions are determined by applying Numerov?s method to solve Schrödinger?s equation. States for different angular momentum quantum number and dimensionality are considered. One is lead to the result that hydrogen atoms in higher dimensions could actually exist. The most probable distance between the electron and the nucleus are then computed as a function of D showing the possibility of tiny confined states.     

Analytical method for yrast line states in the interacting two—component Bose—Einstein condensate

The yrast spectrum for the harmonically trapped two-component Bose-Einstein condensate (BEC),omitting the difference between the two components,has been studied using an analytical method.The energy eigenstates and eigenvalues for L=0,1,2,3 are given,We illustrate that there are different eigenstate behaviours between the even L and odd L cases for the two-component BEC in two dimensions.Except for symmetric states,there are antisymmetric states for the permutation of the two components,which cannot reduce to those in a single condensate case when the value of L is odd.     

Uncertainty relation for the discrete Fourier transform

We derive an uncertainty relation for two unitary operators which obey a commutation relation of the form UV=e(i phi) VU. Its most important application is to constrain how much a quantum state can be localized simultaneously in two mutually unbiased bases related by a discrete fourier transform. It provides an uncertainty relation which smoothly interpolates between the well-known cases of the Pauli operators in two dimensions and the continuous variables position and momentum. This work also provides an uncertainty relation for modular variables, and could find applications in signal processing. In the finite dimensional case the minimum uncertainty states, discrete analogues of coherent and squeezed states, are minimum energy solutions of Harper's equation, a discrete version of the harmonic oscillator equation.     

A Front-Tracking Method for Motion by Mean Curvature with Surfactant

In this paper, we present a finite difference method to track a network of curves whose motion is determined by mean curvature. To study the effect of inhomogeneous surface tension on the evolution of the network of curves, we include surfactant which can diffuse along the curves. The governing equations consist of one parabolic equation for the curve motion coupled with a convection-diffusion equation for the surfactant concentration along each curve. Our numerical method is based on a direct discretization of the governing equations which conserves the total surfactant mass in the curve network. Numerical experiments are carried out to examine the effects of inhomogeneous surface tension on the motion of the network, including the von Neumann law for cell growth in two space dimensions.     

Valence bond solid phases in a cubic antiferromagnet

We report on a valence bond projector Monte Carlo simulation of the cubic lattice quantum Heisenberg model with additional higher-order exchange interactions in each unit cell. The model supports two different valence bond solid (VBS) ground states. In one of these states, the dimer pattern is a three-dimensional analogue of the columnar pattern familiar from two dimensions. In the other, the dimers are regularly arranged along the four main diagonals in 1/8 of the unit cells. The phases are separated from one another and from a Néel phase by strongly first-order boundaries. Our results strengthen the case for exotic transitions in two dimensions, where no discontinuities have been detected at the Heisenberg Néel-VBS transition driven by four-spin plaquette interactions.     

Kinetic Phase Transition in A2 ＋ 2B2 → 2B2A Reaction System with Particle Diffusion

A lattice gas model is presented for the A2 ＋2B2 → 2B2A reaction system with particle diffusion in two dimensions. In the model, B2 dissociates in the random dimer-filling mechanism and A2 dissociates in the end-on dimer filling mechanism. A reactive window appears and the system exhibits a continuous phase transition from a reactive state to a ＂B ＋ vacancy＂ covered state with infinitely many absorbing states. When the diffusion of particle B is considered, there are only two absorbing states. It is found that the critical behavior of the continuous phase transition changes from the directed percolation （DP） class to the pair contact process with diffusion （PCPD） class.     

Preparation of Entanglement of Atoms and of Photons via Cavity Input-Output Process

We propose a method to prepare multipartite entangled states such as cluster states and graph states based on the cavity input-output process and single photon measurement. Two quantum gates, a controlled phase gate and a fusion gate between two atoms trapped in respective cavities, are proposed to prepare atomic cluster states and graph states with one and two dimensions. We also introduce a scheme that can generate an arbitrary multipartite photon duster state which uses two coherent states as a qubit basis.     

Dynamical localization and eigenstate localization in trap models

The one-dimensional random trap model with a power-law distribution of mean sojourn times exhibits a phenomenon of dynamical localization in the case where diffusion is anomalous: the probability to find two independent walkers at the same site, as given by the participation ratio, stays constant and high in a broad domain of intermediate times. This phenomenon is absent in dimensions two and higher. In finite lattices of all dimensions the participation ratio finally equilibrates to a different final value. We numerically investigate two-particle properties in a random trap model in one and in three dimensions, using a method based on spectral decomposition of the transition rate matrix. The method delivers a very effective computational scheme producing numerically exact results for the averages over thermal histories and initial conditions in a given landscape realization. Only a single averaging procedure over disorder realizations is necessary. The behavior of the participation ratio is compared to other measures of localization, as for example to the states’ gyration radius, according to which the dynamically localized states are extended. This means that although the particles are found at the same site with a high probability, the typical distance between them grows. Moreover the final equilibrium state is extended both with respect to its gyration radius and to its Lyapunov exponent. In addition, we show that the phenomenon of dynamical localization is only marginally connected with the spectrum of the transition rate matrix, and is dominated by the properties of its eigenfunctions which differ significantly in dimensions one and three.     

On the validity of microscopic calculations of double-quantum-dot spin qubits based on Fock-Darwin states

We consider two typical approximations that are used in the microscopic calculations of double-quantum dot spin qubits, namely,the Heitler-London(HL) and the Hund-Mulliken(HM) approximations, which use linear combinations of Fock-Darwin states to approximate the two-electron states under the double-well confinement potential. We compared these results to a case in which the solution to a one-dimensional Schr ¨odinger equation was exactly known and found that typical microscopic calculations based on Fock-Darwin states substantially underestimate the value of the exchange interaction, which is the key parameter that controls the quantum dot spin qubits. This underestimation originates from the lack of tunneling of Fock-Darwin states, which is accurate only in the case with a single potential well. Our results suggest that the accuracies of the current two-dimensional molecularorbit-theoretical calculations based on Fock-Darwin states should be revisited since underestimation could only deteriorate in dimensions that are higher than one.