非相对论重离子碰撞动力学的两体关联输运理论

论文系统地介绍和分析了当前几类描述重离子碰撞动力学过程输运理论的优点和缺点，并针对这些理论的不足作为建立我们理论模型的出发点。例如BUU（Boltzmann-Uehling-Uhlenbeck）系列的输运过程，可以通过不同方法从量子多体理论依照扩展的时间相关的Hartree-Fock（ETDHF）的基本思想推导出来，并对重离子碰撞过程中有关平均场物理量给出了合理的描述。但由于推导中采用了一些半经典近似和参数化近似，破坏了平均场合碰撞项之间的动力学自洽耦合。特别是数值计算中采用了实验粒子系综平均法，从而丢失了多体关联和涨落，使其无法直接描述重离子碰撞中基本的碎块形成和多重碎裂过程。而量子分子动力学（QMD）系列的理论能够给出重离子碰撞过程中碎块形成的动力学描述，但至今无法从量子多体理论推导出有关QMD的输运方程。碰撞项是在数值计算中通过Monte Carlo抽样技术人为地加入的。那么，如何从量子多体理论出发推导出描述重离子碰撞动力学过程的，可将时间相关的平均场，多体关联进行自洽耦合描述的量子输运理论就成了本论文工作的中心目的。 基于王顺金等人建立的多体关联动力学理论，选用时间相关的相干态单粒子基矢作为新理论的工作表象，对两体关联动力学中的一体密度矩阵和两体关联函数进行轨道展开，推导出了描述非相对论重离子碰撞动力学过程的两体关联输运理论TBCTT（Two-Body Correlation Transport Theory）。TBCTT是一组包括时间相关的平均场，两体关联和Pauli原理的自洽耦合的动力学方程组。其中时间相关的相干单粒子基矢是该理论的一个关键问题。其时间演化的动力学可由多种不同的方法得到，如时间相关的Hartree-Fock方法，时间相关的变分方法等。但作为建立TBCTT工作的第一步，为了计算简便，我们采用经典的Hamilton方程来描述相干单粒子基矢中相空间参数的时间演化，然后通过与两体关联动力学的耦合而恢复TBCCT基本的量子特征。 利用TBCTT对几组轻的碰撞系统进行了数值计算和分析。计算结果表明：TBCTT可以给出重离子碰撞过程中的有关物理量时间演化过程的合理描述，得到了在不同入射道条件下与QMD模型的可比性结果。同时也在组态空间的有限截断和两体关联函数不同的等级截断下均得到了碰撞系统总动量，总能量和总粒子数的近似守恒结果，特别是能量守恒，这是一般半经典输运理论中一个重要的困难问题。另外还得到了两体关联函数不同的等级截断近似对碰撞动力学方面不同的描述。所用这些数值计算结果充分表明：TBCTT是一个有希望和有发展前途的能够描述重离子碰撞动力学的量子输运理论。最后我们对当前计算中所采用的近似和存在的问题进行了分析和讨论，提出了进一步改进和完善TBCTT的途径和方案。 我们在开始TBCTT的研究之前还对QMD进行了仔细的研究和改进。通过在平均场中引入Pauli势和对称势并利用摩擦冷却方法构造原子核基态，得到了一种改进的量子分子动力学MQMD。利用这种MQMD研究了12C+12C反应多重碎裂过程中的核结构效应，得到了与AMD和实验数据基本一致的结果。对QMD的改进和应用为开展TBCTT的研究工作创造了必要条件和准备。

Modelling raindrop impact and splash erosion processes within a spatial cell: a stochastic approach

A new approach is proposed to simulate splash erosion on local soil surfaces. Without the effect of wind and other raindrops, the impact of free-falling raindrops was considered as an independent event from the stochastic viewpoint. The erosivity of a single raindrop depending on its kinetic energy was computed by an empirical relationship in which the kinetic energy was expressed as a power function of the equivalent diameter of the raindrop. An empirical linear function combining the kinetic energy and soil shear strength was used to estimate the impacted amount of soil particles by a single raindrop. Considering an ideal local soil surface with size of I m x I m, the expected number of received free-failing raindrops with different diameters per unit time was described by the combination of the raindrop size distribution function and the terminal velocity of raindrops. The total splash amount was seen as the sum of the impact amount by all raindrops in the rainfall event. The total splash amount per unit time was subdivided into three different components, including net splash amount, single impact amount and re-detachment amount. The re-detachment amount was obtained by a spatial geometric probability derived using the Poisson function in which overlapped impacted areas were considered. The net splash amount was defined as the mass of soil particles collected outside the splash dish. It was estimated by another spatial geometric probability in which the average splashed distance related to the median grain size of soil and effects of other impacted soil particles and other free-falling raindrops were considered. Splash experiments in artificial rainfall were carried out to validate the availability and accuracy of the model. Our simulated results suggested that the net splash amount and re-detachment amount were small parts of the total splash amount. Their proportions were 0.15% and 2.6%, respectively. The comparison of simulated data with measured data showed that this model could be applied to simulate the soil-splash process successfully and needed information of the rainfall intensity and original soil properties including initial bulk intensity, water content, median grain size and some empirical constants related to the soil surface shear strength, the raindrop size distribution function and the average splashed distance. Copyright (c) 2007 John Wiley & Sons, Ltd.

Elastic anisotropy of OsB2 and RuB2 from first-principles study

The elastic anisotropy of the potential low compressible and hard materials OsB2 and RuB2 were studied by first-principles investigation within density functional theory. The structure, elastic constants, bulk modulus, shear modulus, Poisson's ratio and Debye temperature have been calculated within both local density approximation (LDA) and generalized gradient approximation (GGA). The results indicated that the calculated bulk modulus and shear modulus were in good agreement with the experimental and previous theoretical studies.

Defect evolution and hydrodynamic effects in lamellar ordering process of two-dimensional quenched block copolymers

The effects of hydrodynamic interactions on the lamellar ordering process for two-dimensional quenched block copolymers in the presence of extended defects and the topological defect evolutions in lamellar ordering process are numerically investigated by means of a model based on lattice Boltzmann method and self-consistent field theory. By observing the evolution of the average size of domains, it is found that the domain growth is faster with stronger hydrodynamic effects. The morphological patterns formed also appear different. To study the defect evolution, a defect density is defined and is used to explore the defect evolutions in lamellar ordering process. Our simulation results show that the hydrodynamics effects can reduce the density of defects. With our model, the relations between the Flory-Huggins interaction parameter chi, the length of the polymer chains N, and the defect evolutions are studied.

NiCrAlYSi涂层与镍基高温合金基体互扩散行为研究

采用电弧离子镀方法在镍基高温合金DZ125上沉积NiCrAlYSi涂层,通过对不同氧化时间后Al和Cr原子浓度分布曲线的分析,运用Boltzmann-matano方法,计算了Al和Cr元素在1373K分别加热0.5,2h和5h的互扩散系数,并拟合了这三个时间段的计算结果。结果表明:相同温度下,Al和Cr的互扩散系数分别随Al和Cr的原子浓度增加而增大。随氧化时间的延长,Al的互扩散系数随原子浓度的变化先增大然后基本不变,Cr的互扩散系数则逐渐减小;伴随着元素间互扩散行为的增强,涂层中的Al和Cr向基体扩散,基体合金元素Ni,Co,Mo,Ti和W则向涂层扩散,但涂层中Mo和Ti的含量相对较少。由于元素间互扩散行为,涂层中各元素的含量将趋向于更加均匀。

Calculating the equation of state parameters and predicting the spinodal curve of isotactic polypropylene/poly(ethylene-co-octene) blend by molecular dynamics simulations combined with Sanchez-Lacombe lattice fluid theory

Molecular dynamics simulations are adopted to calculate the equation of state characteristic parameters P*, rho*, and T* of isotactic polypropylene (iPP) and poly(ethylene-co-octene) (PEOC), which can be further used in the Sanchez-Lacombe lattice fluid theory (SLLFT) to describe the respective physical properties. The calculated T* is a function of the temperature, which was also found in the literature. To solve this problem, we propose a Boltzmann fitting of the data and obtain T* at the high-temperature limit. With these characteristic parameters, the pressure-volume-temperature (PVT) data of iPP and PEOC are predicted by the SLLFT equation of state. To justify the correctness of our results, we also obtain the PVT data for iPP and PEOC by experiments. Good agreement is found between the two sets of data. By integrating the Euler-Lagrange equation and the Cahn-Hilliard relation, we predict the density profiles and the surface tensions for iPP and PEOC, respectively. Furthermore, a recursive method is proposed to obtain the characteristic interaction energy parameter between iPP and PEOC. This method, which does not require fitting to the experimental phase equilibrium data, suggests an alternative way to predict the phase diagrams that are not easily obtained in experiments.

Single molecule dynamics and statistical fluctuations of gene regulatory networks: A repressilator

The authors developed a time dependent method to study the single molecule dynamics of a simple gene regulatory network: a repressilator with three genes mutually repressing each other. They quantitatively characterize the time evolution dynamics of the repressilator. Furthermore, they study purely dynamical issues such as statistical fluctuations and noise evolution. They illustrated some important features of the biological network such as monostability, spirals, and limit cycle oscillation. Explicit time dependent Fano factors which describe noise evolution and show statistical fluctuations out of equilibrium can be significant and far from the Poisson distribution. They explore the phase space and the interrelationships among fluctuations, order, amplitude, and period of oscillations of the repressilators. The authors found that repressilators follow ordered limit cycle orbits and are more likely to appear in the lower fluctuating regions. The amplitude of the repressilators increases as the suppressing of the genes decreases and production of proteins increases. The oscillation period of the repressilators decreases as the suppressing of the genes decreases and production of proteins increases.

Dynamics and intrinsic statistical fluctuations of a gene switch

We studied a simple gene regulatory network, the toggle switch. Specifically, we examined the means and statistical fluctuations in numbers of proteins. We found that when omega, the ratio of rates of protein-gene unbinding to protein degradation, was between similar to 10(-3) and similar to 10, the fluctuations were much larger than those we would have expected from Poisson statistics. In addition, we examined characteristic time values for system relaxation and found both that they increased with omega and that they have significant phase transition effects, with a secondary time scale appearing near the boundary between bistable and other phases. Last, we discuss the bistability of the toggle switch.

Low-compressibility and hard materials ReB2 and WB2: Prediction from first-principles study

First-principle calculations are performed to investigate the structural, elastic, and electronic properties of ReB2 and WB2. The calculated equilibrium structural parameters of ReB2 are consistent with the available experimental data. The calculations indicate that WB2 in the P6(3)/mmc space group is more energetically stable under the ambient condition than in the P6/mmm. Based on the calculated bulk modulus, shear modulus of polycrystalline aggregate, ReB2 and WB2 can be regarded as potential candidates of ultra-incompressible and hard materials. Furthermore, the elastic anisotropy is discussed by investigating the elastic stiffness constants. Density of states and electron density analysis unravel the covalent bonding between the transition metal atoms and the boron atoms as the driving force of the high bulk modulus and high shear modulus as well as small Poisson's ratio.

First-passage time distribution and non-Markovian diffusion dynamics of protein folding

We study the kinetics of protein folding via statistical energy landscape theory. We concentrate on the local-connectivity case, where the configurational changes can only occur among neighboring states, with the folding progress described in terms of an order parameter given by the fraction of native conformations. The non-Markovian diffusion dynamics is analyzed in detail and an expression for the mean first-passage time (MFPT) from non-native unfolded states to native folded state is obtained. It was found that the MFPT has a V-shaped dependence on the temperature. We also find that the MFPT is shortened as one increases the gap between the energy of the native and average non-native folded states relative to the fluctuations of the energy landscape. The second- and higher-order moments are studied to infer the first-passage time distribution. At high temperature, the distribution becomes close to a Poisson distribution, while at low temperatures the distribution becomes a Levy-type distribution with power-law tails, indicating a nonself-averaging intermittent behavior of folding dynamics. We note the likely relevance of this result to single-molecule dynamics experiments, where a power law (Levy) distribution of the relaxation time of the underlined protein energy landscape is observed.

Toughening mechanism of polymer blends: Influence of voiding ability of dispersed-phase particles

The parameters which effect the cavitation strain of polymer blends toughened with a shear yield mechanism have been studied by analysis of the stress acted on the equatorial plane of dispersed-phase particles. As a result, the cavitation strain of polymer blends depends on the Young's modulus and the Poisson's ratio of the dispersed-phase particles and the matrix and also on the break stress of dispersed-phase particles. We tried to provide a criterion for selecting the materials used as dispersed-phase particles which can effectively enhance the toughness of polymer blends. (C) 1996 John Wiley & Sons, Inc.

Photosynthesis-irradiance response at physiological level: A mechanistic model

A mechanistic model is developed to present the photosynthetic response of phytoplankton to irradiance at the physiological level. The model is operated on photosynthetic units (PSU), and each PSU is assumed to have two states: reactive and activated. Light absorption that drives a reactive PSU into the activated state results from the effective absorption of the PSU. Transitions between the two states are asymmetrical in rate. A PSU in the reactive state becomes activated much faster than it recovers from the activated state to the reactive one. The turnover time for an activated PSU to transit into the reactive one is defined by the turnover time of the electron transport chain. The present model yields a photosynthesis-irradiance curve (PE-curve) in a hyperbola, which is described by three physiological parameters: effective cross-section (sigma (PSII)), turnover time of electron transport chain (tau) and number of PSUs (N). The PE-curve has an initial slope of sigma (PSII) x N, a half-saturated irradiance of 1/(sigma (PSII)), and a maximal photosynthetic rate of Nlc at the saturated irradiance. The PE-curve from the present model is comparable to the empirical function based on the target theory described by the Poisson distribution. (C) 2001 Academic Press.

陆地三分量三维地震勘探技术研究与应用

With the development of oil and gas field exploration, it becomes harder to search new reserves. So a higher demand of seismic exploration comes up. Now 3C3D seismic exploration technology has been applied in petroleum exploration domains abroad. Comparing with the traditional P-wave exploration, the seismic attributes information which provided by 3C3D seismic exploration will increase quickly. And it can derive various combined parameters. The precision of information about lithology, porosity, fracture, oil-bearing properties, etc which estimated by above parameters was higher than that of pure P-wave exploration. These advantages mentioned above lead to fast development of 3C3D seismic technology recently. Therefore, how to apply the technology in petroleum exploration field in China, how to obtain high quality seismic data, and how to process and interpret real data, become frontier topics in geophysical field nowadays, which have important practical significance in research and application. In this paper, according to the propagation properties of P-wave and converted wave, a study of 3C3D acquisition parameters design method was completed. Main parameters included: trace interval, shot interval, maximum offset, bin size, the interval of receiving lines, the interval of shooting lines, migration aperture, maximum cross line distance, etc. Their determination principle was given. The type of 3C3D seismic exploration geometry was studied. By calculating bin attributes and analyzing parameters of geometry, some useful conclusions were drawn. With the method in this paper, real geometries for continental lithology stratum gas reservoir and fractured gas reservoir were studied and determined. In the static method of multi-wave, the near surface P-wave, S-wave parameter investigation method has been advanced, and this method has been applied for the patent successfully; the near surface P-wave, S-wave parameter investigation method and the converted refraction wave first arrival static techniques have been integrally used to improve the effectiveness of converted wave static. In the aspect of converted wave procession, the rotation of horizontal component data, the calculation of converted wave common conversion bin, the residual static of converted wave, the velocity analysis of the common conversion point (CCP), the Kirchhoff pre-stack time migration of converted wave techniques have been applied for setting up the various 3C3D seismic data processing flows based on different geologic targets, and the high quality P-wave, converted-wave profiles have been acquired in the actual data processing. In the aspect of P-wave and converted-wave comprehensive interpretation, the thoughts and methods of using zero-offset S-wave VSP data to calibrate horizon have been proposed; the method of using P-wave and S-wave amplitude ratio to predict the areas of oil and gas enrichment has been studied; the method of inversion using P-wave combined with S-wave has been studied; the various P-wave, S-wave parameters(velocity ratio, amplitude ratio, poisson ratio) have been used to predict the depth, physical properties, gas-bearing properties of reservoirs; the method of predicting the continental stratum lithology gas reservoir has been built. The above techniques have all been used in various 3D3C seismic exploration projects in China, and the better effects have been gotten. By using these techniques, the 3C3D seismic exploration level has been improved.

叠前叠后联合反演技术及其在QHD32-6油田的应用研究

What geophysical inversion studied includes the common mathematics physical property of inversion and the constitution and appraisal method of solution in geophysics domain, i.e. using observed physical phenomenon from the earth surface to infer space changing and physical property structure of medium within the earth. Seismic inversion is a branch of geophysical inversion. The basic purpose of seismic inversion is to utilizing seismic wave propagating law in the medium underground to infer stratum structure and space distribution of physical property according to data acquisition, processing and interpretation, and then offer the vital foundation for exploratory development. Poststack inversion is convenient and swift, its acoustic impedance inversion product can reflect reservoir interior changing rule to a certain degree, but poststack data lack abundant amplitude and travel time information included in prestack data because of multiple superimpose and weaken the sensitiveness which reflecting reservoir property. Compared with poststack seismic inversion, prestack seismic inversion has better fidelity and more adequate information. Prestack seismic inversion, including waveform inversion, not only suitable for thin strata physical property inversion, it can also inverse reservoir oil-bearing ability. Prestack seismic inversion and prestack elastic impedance inversion maintain avo information, sufficiently applying seismic gathering data with different incident angle, partial angle stack, gradient and intercept seismic data cube. Prestack inversion and poststack inversion technology were studied in this dissertation. A joint inversion method which synthesize prestack elastic wave waveform inversion, prestack elastic impedance inversion and poststack inversion was proposed by making fully use of prestack inversion multiple information and relatively fast and steady characteristic of poststack inversion. Using the proposed method to extract rock physics attribute cube with clear physical significance and reflecting reservoir characterization, such as P-wave and S-wave impedance, P-wave and S-wave velocity, velocity ratio, density, Poisson ratio and Lame’s constant. Regarding loose sand reservoir in lower member of Minghuazhen formation, 32-6 south districts in Qinhuangdao,as the research object, be aimed at the different between shallow layer loose sand and deep layer tight sand, first of all, acquire physical property parameters suitable for this kind of heavy oil pool according to experimental study, establishing initial pressure and shear wave relational model; Afterwards, performing prestack elastic wave forward and inversion research, summarizing rules under the guidance of theoretical research and numerical simulation, performing elastic impedance inversion, calculating rock physics attributes; Finally, predicting sand body distribution according to rock physics parameters, and predicting favorable oil area combine well-logging materials and made good results.

小湾坝基卸荷岩体参数研究

The Xiao-wan Power Station is the second highest arch dam in the world under construction. The height of the dam is about 292m. Large-scale excavation in the dam foundation of Xiao-wan Power Station has brought intensive unloading phenomenon. We collected a large number of firsthand data on unloaded rock mass in dam foundation, which supplies a natural testing ground for researching unloaded rock mass after excavation. Detailed study was carried out on the parameters of unloaded rock mass in the dam foundation of Xiao-wan Power Station. The study is not only importance for the Xiao-wan Power Station, but also has important instruction significance to similar projects in the Southwest of China. In order to study the mechanical parameters of unloaded rock mass, large field and laboratory tests were carried out. The test results showed the size effect of the sample is obvious. The change of deformation modulus of rock is not obvious. However, the Poisson's ratio of rock is increased under unloaded condition, its value is even more than 0.5. The theoretical forecasted results is accordance to the field tests including sound wave data and deformation monitoring data, which shows the forecasted results were reasonable. The soften yield criterion was adopted in the thesis to study the characteristics of the brittle rock mass in order to simulate their brittle failures. Based on the study results above, the transform of the structural plane network model to the numerical one was carried out, which made it feasible to consider the influence of large amount joints on the mechanical characteristic of rock mass in the numerical analyses. Using a factor, the degree of the damage or strengthen of rock mass can be determined rapidly, which proposed a rapid and feasible method for the determination of the parameters of rock mass.