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.

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.

THE APPLICATION OF THE MPB4 THEORY TO THE INTERFACE BETWEEN 2 IMMISCIBLE ELECTROLYTE-SOLUTIONS .2. THE DIFFERENTIAL CAPACITANCE OF THE WATER 1,2-DICHLOROETHANE INTERFACE

The MPB4 theory is used to calculate the differential capacitance of the interface between LiCl in water and TBATPB in 1,2-dichloroethane at electrolyte concentrations of 0.005, 0.01 and 0.02 M. The effects of the ion size and the image force, and the influence of the electrolyte concentration, the surface charge density and the solvent effect on the inner layer potential drop are considered simultaneously. These effects can be ascribed to the ionic penetration into the opposite solution and ion-ion correlations across the interface. Our results are in better agreement with experimental data than those obtained using Gouy-Chapman theory. This indicates that the MPB4 theory may also describe the structure of the water \1,2-dichloroethane interface provided that the influence of the electrolyte concentration, the surface charge density and the solvent effect on the inner layer potential distribution are included in the calculation. Comparison of the theoretical results with those of the water \nitrobenzene interface shows that the structure of the water \1,2-dichloroethane interface is similar to that of the water \nitrobenzene interface, except that in the former case the inner-layer potential drop is much higher and the effects of the image force and the ion size are more pronounced.

THE APPLICATION OF THE MPB4 THEORY TO THE INTERFACE BETWEEN 2 IMMISCIBLE ELECTROLYTE-SOLUTIONS .1. THE DIFFERENTIAL CAPACITANCE OF THE WATER NITROBENZENE INTERFACE

We use the MPB4 theory to calculate the differential capacitance of the interface between NaBr + water and tetrabutylammoniumtetraphenyl borate (TBATPB) + nitrobenzene at electrolyte concentrations of 0.01 M, 0.02 M and 0.05 M. In addition to the effects

Analysis on deep crustal structure along the onshore-offshore seismic profile across the Binhai (littoral) fault zone in northeastern South China Sea

The onshore-offshore deep seismic experiment was carried out for the first time and filled the blankness of the seismic surveys in the transition area between South China and northeastern South China Sea. The seismic data were analyzed and processed. The different seismic phases were identified and their travel time arrivals were modeled by ray-tracing to study the P-wave velocity crustal structure of this area. The crustal structure of this area is the continental crust. The crust thickness is gradually decreasing southward along the on-shore-offshore seismic line. The low-velocity layer (5.5 similar to 5.9 km (.) s(-1)) exists generally in the middle crust (about 10.0 similar to 18.0km)with about 2.5 similar to 4.0 km thickness, which is also thinning seaward. No obvious high-velocity layer appears in the lower crust. The Binhai (littoral) fault zone is a low velocity zone, which is located about 35km southeast to the Nan'ao station and corresponding to the gradient belt of gravity & magnetism anomalies. The depth of the fault zone is close to the Moho discontinuity. The littoral fault zone is a boundary between the normal continental crust of South China and the thinned continental crust of the sea area.

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.

随钻地震技术的研究及应用

Seismic While Drilling (SWD) is a new wellbore seismic technique. It uses the vibrations produced by a drill-bit while drilling as a downhole seismic energy source. The continuous signals generated by the drill bit are recorded by a pilot sensor attached to the top of the drill-string. Seismic wave receivers positioned in the earth near its surface receive the seismic waves both directly and reflection from the geologic formations. The pilot signal is cross-correlated with the receiver signals to compute travel-times of the arrivals (direct arrival and reflected arrival) and attenuate incoherent noise. No downhole intrusmentation is required to obtain the data and the data recording does not interfere with the drilling process. These characteristics offer a method by which borehole seismic data can be acquired, processed, and interpreted while drilling. As a Measure-While-Drill technique. SWD provides real-time seismic data for use at the well site . This can aid the engineer or driller by indicating the position of the drill-bit and providing a look at reflecting horizons yet to be encountered by the drill-bit. Furthermore, the ease with which surface receivers can be deployed makes multi-offset VSP economically feasible. First, this paper is theoretically studying drill-bit wavefield， interaction mode between drill-bit and formation below drill-bit , the new technique of modern signal process was applied to seismic data, the seismic body wave radiation pattern of a working roller-cone drill-bit can be characterized by theoretical modeling. Then , a systematical analysis about the drill-bit wave was done, time-distance equation of seismic wave traveling was established, the process of seismic while drilling was simulated using the computer software adaptive modeling of SWD was done . In order to spread this technique, I have made trial SWD modeling during drilling. the paper sketches out the procedure for trial SWD modeling during drilling , the involved instruments and their functions, and the trial effect. Subsurface condition ahead of the drill-bit can be predicted drillstring velocity was obtained by polit sensor autocorrelation. Reference decovolution, the drillstring multiples in the polit signal are removed by reference deconvolution, the crosscorrelation process enhance the signal-to-noise power ratio, lithologies. Final, SWD provides real-time seismic data for use at the well site well trajectory control exploratory well find out and preserve reservoirs. intervel velocity was computed by the traveltime The results of the interval velocity determination reflects the pore-pressure present in the subsurface units ahead of the drill-bit. the presences of fractures in subsurface formation was detected by shear wave. et al.

高阶广义屏波动方程叠前深度偏移

Attaining sufficient accuracy and efficiency of generalized screen propagator and improving the quality of input gathers are often problems　of wave equation presack depth migration,　in this paper,a high order formula of generalized screen propagator　for one-way wave equation is proposed by using the asymptotic expansion of single-square-root operator. Based on the formula，a new generalized screen propagator is developed ,which is composed of split-step Fourier propagator and high order correction terms，the new generalized screen propagator not only improving calculation precision without sharply increasing the quantity of computation，facilitates the suitability of generalized screen propagator to the media with strong lateral velocity variation.　As wave-equation prestack depth migration is sensitive to the quality of input gathers, which greatly affect the output，and the available seismic data processing system has inability to obtain traveltimes corresponding to the multiple arrivals, to estimate of great residual statics， to merge seismic datum from different projects and to design inverse Q filter, we establish　difference equations with an embodiment of Huygens’s principle for obtaining traveltimes corresponding to the multiple arrivals,bring forward a time variable matching filter for seismic datum merging by using the fast algorithm called Mallat tree for wavelet transformations， put forward a method for estimation of residual statics by applying the optimum model parameters estimated by iterative inversion with three organized algorithm,i.e,the CMP intertrace cross-correlation algorithm,the Laplacian image edge extraction algorithm,and the DFP algorithm, and present phase-shift inverse Q filter based on Futterman’s amplitude and phase-velocity dispersion formula and wave field extrapolation theory. All of their numerical and real data calculating results shows that our theory and method are practical and efficient. Key words: prestack depth migration, generalized screen propagator, residual statics，inverse Q filter ,traveltime，3D seismic datum mergence

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.