Continuum in the X-Z-Y Weak Bonds: Z= Main Group Elements

The Continuum in the variation of the X-Z bond length change from blue-shifting to red-shifting through zero-shifting in the X-Z---Y complex is inevitable. This has been analyzed by ab-initio molecular orbital calculations using Z= Hydrogen, Halogens, Chalcogens, and Pnicogens as prototypical examples. Our analysis revealed that, the competition between negative hyperconjugation within the donor (X-Z) molecule and Charge Transfer (CT) from the acceptor (Y) molecule is the primary reason for the X-Z bond length change. Here, we report that, the proper tuning of X-and Y-group for a particular Z-can change the blue-shifting nature of X-Z bond to zero-shifting and further to red-shifting. This observation led to the proposal of a continuum in the variation of the X-Z bond length during the formation of X-Z---Y complex. The varying number of orbitals and electrons available around the Z-atom differentiates various classes of weak interactions and leads to interactions dramatically different from the H-Bond. Our explanations based on the model of anti-bonding orbitals can be transferred from one class of weak interactions to another. We further take the idea of continuum to the nature of chemical bonding in general. (C) 2015 Wiley Periodicals, Inc.

Weak-coupling superconductivity in a strongly correlated iron pnictide

Iron-based superconductors have been found to exhibit an intimate interplay of orbital, spin, and lattice degrees of freedom, dramatically affecting their low-energy electronic properties, including superconductivity. Albeit the precise pairing mechanism remains unidentified, several candidate interactions have been suggested to mediate the superconducting pairing, both in the orbital and in the spin channel. Here, we employ optical spectroscopy (OS), angle-resolved photoemission spectroscopy (ARPES), ab initio band-structure, and Eliashberg calculations to show that nearly optimally doped NaFe0.978Co0.022As exhibits some of the strongest orbitally selective electronic correlations in the family of iron pnictides. Unexpectedly, we find that the mass enhancement of itinerant charge carriers in the strongly correlated band is dramatically reduced near the Gamma point and attribute this effect to orbital mixing induced by pronounced spin-orbit coupling. Embracing the true band structure allows us to describe all low-energy electronic properties obtained in our experiments with remarkable consistency and demonstrate that superconductivity in this material is rather weak and mediated by spin fluctuations.

Dynamos driven by weak thermal convection and heterogeneous outer boundary heat flux

We use numerical dynamo models with heterogeneous core-mantle boundary (CMB) heat flux to show that lower mantle lateral thermal variability may help support a dynamo under weak thermal convection. In our reference models with homogeneous CMB heat flux, convection is either marginally supercritical or absent, always below the threshold for dynamo onset. We find that lateral CMB heat flux variations organize the flow in the core into patterns that favour the growth of an early magnetic field. Heat flux patterns symmetric about the equator produce non-reversing magnetic fields, whereas anti-symmetric patterns produce polarity reversals. Our results may explain the existence of the geodynamo prior to inner core nucleation under a tight energy budget. Furthermore, in order to sustain a strong geomagnetic field, the lower mantle thermal distribution was likely dominantly symmetric about the equator. (C) 2015 Elsevier B.V. All rights reserved.

Numerical Analysis of Rainfall Infiltration in the Slope with a Fracture

With the finite volume method, a 2D numerical model for seepage in unsaturated soil has been established to study the rainfall infiltration in the fractured slope.The result shows that more rain may infiltrate into the slope due to existing fracture and then the pore pressure rises correspondingly. Very probably, it is one of the crucial factors accounting for slope failure. Furthermore a preliminary study has been conducted to investigate the influence of various fracture and rainfall factors such as the depth, width and location of a crack, surface condition, rainfall intensity and duration. Pore pressure and water volumetric content during the transient seepage are carefully examined to reveal the intrinsic mechanism.

Effect of Rock Mass Structure and Block Size on the Slope Stability-Physical Modeling and Discrete Element Simulation

This paper studies the stability of jointed rock slopes by using our improved three-dimensional discrete element methods (DEM) and physical modeling. Results show that the DEM can simulate all failure modes of rock slopes with different joint configurations. The stress in each rock block is not homogeneous and blocks rotate in failure development. Failure modes depend on the configuration of joints. Toppling failure is observed for the slope with straight joints and sliding failure is observed for the slope with staged joints. The DEM results are also compared with those of limit equilibrium method (LEM). Without considering the joints in rock masses, the LEM predicts much higher factor of safety than physical modeling and DEM. The failure mode and factor of safety predicted by the DEM are in good agreement with laboratory tests for any jointed rock slope.

三峡永久船闸高边坡开挖三维离散元数值模拟:3-D Simulation of the Excavation of High Steep Slope of Three-Gorges Permanent Lock by Distinct Element Method

采用面一面接触的三维离散元刚性块体模型,从实测节理面中取出其中的三组,按照其倾向、倾角和节理间距将三峡永久船闸未开挖的区域划分为10~5个离散单元,通过施加力边界条件,给出了与实测初始地应力场接近的数值模拟结果；然后,分4步模拟了永久船闸的开挖过程。计算结果表明：开挖过程会引起节理面出现张开趋势,个别岩体还会沿着节理面滑移。岩体位移的不对称现象较为自然地说明了由节理引起的岩体各向异性特征。

Effect of Microtopography, Slope Length and Gradient, and Vegetative Cover on Overland Flow Through Simulation

Overland flow on a hillslope is significantly influenced by its microtopography, slope length and gradient, and vegetative cover. A 1D kinematic wave model in conjunction with a revised form of the Green-Ampt infiltration equation was employed to evaluate the effect of these surface conditions. The effect of these conditions was treated through the resistance parameter in the kinematic wave model. The resistance in this paper was considered to be made up of grain resistance, form resistance, and wave resistance. It was found that irregular slopes with microtopography eroded more easily than did regular slopes. The effect of the slope gradient on flow velocity and flow shear stress could be negative or positive. With increasing slope gradient, the flow velocity and shear stress first increased to a peak value, then decreased again, suggesting that there exists a critical slope gradient for flow velocity and shear stress. The vegetative cover was found to protect soil from erosion primarily by enhancing erosion-resisting capacity rather than by decreasing the eroding capability of overland flow.

Mechanism on Progressive Failure of a Faulted Rock Slope Due to Slip-Weakening

Slip-weakening is one of the characteristics of geological materials under certain loadings. Non-uniform rock structure may exist in the vicinity of the slip surface for a rock slope. Some portion of the slip surface may be penetrated but the other not. For the latter case, the crack or the fault surface will undergo shear deformation before it becomes a successive surface under a certain loading. As the slipped portion advances,slip-weakening occurs over a distance behind the crack tip. In the weakening zone, the shear strength will decrease from its peak value to residual friction level. The stress will redistribute along the surface of crack and in the weakening zone. Thus the changed local stress concentration leads the crack to extend and the ratio of penetration of the slip surface to increase. From the view of large-scale for the whole slip surface, the shear strength will decrease due to the damage of interior rock structure, and the faulted rock behaves as a softening material. Such a kind of mechanism performs in a large number of practical landslides in the zones experienced strong earthquakes. It should be noted that the mechanism mentioned above is different from that of the breakage of structural clay,in which the geological material is regarded as a medium containing structural lumps and structural bands. In this paper, the softening behavior of a faulted rock should be regarded as a comprehensive result of the whole complicated process including slip-weakening, redistribution of stress, extension of crack tip, and the penetration of the slip surface. This process is accompanied by progressive failure and abrupt structural damage. The size of slip-weakening zone is related to the undergoing strain. Once the relative slide is initiated (local or integrated), the effect of slip-weakening will behave in a certain length behind the crack tip until the formation of the whole slip surface.

Experimental study on pore pressure in rock-soil slope during reservoir water level fluctuation

A test system was developed for measuring the pore pressure in porous media, and a new model was devised for the pore pressure testing in both saturated and unsaturated rock-soil. Laboratory experiments were carried out to determine the pore pressure during water level fluctuation. The variations of transient pore pressure vs. time at different locations of the simulated rock-soil system were acquired and processed, and meanwhile the deformation and failure of the model are observed. The experiment results show that whether the porous media are saturated or not, the transient pore pressure is mainly dependent on the water level fluctuation, and coupled with the variation of the stress field.

An Extension of 2D Janbu’s Generalized Procedure of Slices for 3D Slope Stability Analysis II—Numerical Method and Applications

This paper provides a numerical approach on achieving the limit equilibrium method for 3D slope stability analysis proposed in the theoretical part of the previous paper. Some programming techniques are presented to ensure the maneuverability of the method. Three examples are introduced to illustrate the use of this method. The results are given in detail such as the local factor of safety and local potential sliding direction for a slope. As the method is an extension of 2D Janbu's generalized procedure of slices (GPS), the results obtained by GPS for the longitudinal sections of a slope are also given for comparison with the 3D results. A practical landslide in Yunyang, the Three Gorges, of China, is also analyzed by the present method. Moreover, the proposed method has the advantages and disadvantages of GPS. The problem frequently encountered in calculation process is still about the convergency, especially in analyzing the stability of a cutting corner. Some advice on discretization is given to ensure convergence when the present method is used. However, the problem about convergency still needs to be further explored based on the rigorous theoretical background.

Numerical Analysis on Intermittent Flow in a Longitudinal Section of Bingham Fluid along a Slope

The transition process of intermittent flow in a longitudinal section of Bingham fluid from initial distribution to fully developed state was numerically investigated in this paper. The influences of slope dimensionless runoff Q* and viscosity μ0* on the dimensionless surge speed U* were also presented in a wide range of parameters. By one typical example, the intermittent flow possessed wave characteristics and showed a supercritical flow conformation for a fully developed flow. The distributions of gravity and bed drag along the flow path and the velocity distribution of flow field were also analyzed.

Weak Zone Related Seismic Cycles in Progressive Failure Leading to Collapse in Brittle Crust

Until quite recently our understanding of the basic mechanical process responsible for earthquakes and faulting was not well known. It can be argued that this was partly a consequence of the complex nature of fracture in crust and in part because evidence of brittle phenomena in the natural laboratory of the earth is often obliterated or obscured by other geological processes. While it is well understood that the spatial and temporal complexity of earthquakes and the fault structures emerge from geometrical and material built-in heterogeneities, one important open question is how the shearing becomes localized into a band of intense fractures. Here the authors address these questions through a numerical approach of a tectonic plate by considering rockmass heterogeneity both in microscopic scale and in mesoscopic scale. Numerical simulations of the progressive failure leading to collapse under long-range slow driving forces in the far-field show earthquake-like rupture behavior. $En Echelon$ crack-arrays are reproduced in the numerical simulation. It is demonstrated that the underlying fracturing induced acoustic emissions (or seismic events) display self-organized criticality------from disorder to order. The seismic cycles and the geometric structures of the fracture faces, which are found greatly depending on the material heterogeneity (especially on the macroscopic scale), agree with that observed experimentally in real brittle materials. It is concluded that in order to predict a main shock, one must have extremely detailed knowledge on very minor features of the earth's crust far from the place where the earthquake originated. If correct, the model proposed here seemingly provides an explanation as to why earthquakes to date are not predicted so successfully. The reason is not that the authors do not understand earthquake mechanisms very well but that they still know little about our earth's crust.

Influences of slope gradient on soil erosion

The main factors influencing soil erosion include the net rain excess, the water depth, the velocity, the shear stress of overland flows, and the erosion-resisting capacity of soil. The laws of these factors varying with the slope gradient were investigated by using the kinematic wave theory. Furthermore, the critical slope gradient of erosion was driven. The analysis shows that the critical slope gradient of soil erosion is dependent on grain size, soil bulk density, surface roughness, runoff length, net rain excess, and the friction coefficient of soil, etc. The critical slope gradient has been estimated theoretically with its range between 41.5 degrees similar to 50 degrees.

Relationships Between Initial Unloading Slope, Contact Depth, and Mechanical Properties for Conical Indentation in Linear Viscoelastic Solids

Using analytical and finite element modeling, we examine the relationships between initial unloading slope, contact depth, and mechanical properties for spherical indentation in viscoelastic solids with either displacement or load as the independent variable. We then investigate whether the Oliver-Pharr method for determining the contact depth and contact radius, originally proposed for indentation in elastic and elastic-plastic solids, is applicable to spherical indentation in viscoelastic solids. Finally, the analytical and numerical results are used to answer questions raised in recent literature about measuring viscoelastic properties from instrumented spherical indentation experiments.

An experimental study of the influence of weak convection on perikinetic coagulation

A remarkably increased coagulation rate for 2-mu m PS spheres was previously reported for a perikinetic coagulation experiment performed under microgravity conditions (1998, R. Folkersma, A. J. G. van Diemen, and H. N. Stein, J. Colloid Interface Sci. 206, 482); from this experiment, it was assumed that the leading factor slowing the coagulation process under normal gravitation was free convection due to gravity (1998, R. Folkersma, and H. N. Stein, J. Colloid Interface Sci. 206, 494). To test the influence of free convection as a single-effect factor on the coagulation process, a ground-based experiment was constructed. The coagulation rate of 2-mu m PS spheres dispersed in water was determined by measuring the turbidity of the dispersion solution while convection-driven flows in the solution were checked with a visual magnification system. We found that it was possible to cease free convection-driven particle flows on the ground, as long as the experiments were carefully operated. The strength of convection was controlled by changing the temperature gradient applied to the sample cell. By monitoring both the coagulation rate and convection-driven flows simultaneously, our experiments showed that weak free convection (maximum speed <150 mu m/s) actually has negligible effects on the coagulation rate.