3-D fracture network dynamic simulation based on error analysis in rock mass of dam foundation

Accurate 3-D fracture network model for rock mass in dam foundation is of vital importance for stability,grouting and seepage analysis of dam foundation.With the aim of reducing deviation between fracture network model and measured data,a 3-D fracture network dynamic modeling method based on error analysis was proposed.Firstly,errors of four fracture volume density estimation methods(proposed by ODA,KULATILAKE,MAULDON,and SONG)and that of four fracture size estimation methods(proposed by EINSTEIN,SONG and TONON)were respectively compared,and the optimal methods were determined.Additionally,error index representing the deviation between fracture network model and measured data was established with integrated use of fractal dimension and relative absolute error(RAE).On this basis,the downhill simplex method was used to build the dynamic modeling method,which takes the minimum of error index as objective function and dynamically adjusts the fracture density and size parameters to correct the error index.Finally,the 3-D fracture network model could be obtained which meets the requirements.The proposed method was applied for 3-D fractures simulation in Miao Wei hydropower project in China for feasibility verification and the error index reduced from 2.618 to 0.337.

Molecular dynamics simulation of relationship between local structure and dynamics during glass transition of Mg_7Zn_3 alloy

The rapid solidification process of Mg7Zn3 alloy was simulated by the molecular dynamics method. The relationship between the local structure and the dynamics during the liquid-glass transition was deeply investigated. It was found that the Mg-centered FK polyhedron and the Zn-centered icosahedron play a critical role in the formation of Mg7Zn3 metallic glass. The self-diffusion coefficients of Mg and Zn atoms deviate from the Arrhenius law near the melting temperature and then satisfy the power law. According to the time correlation functions of mean-square displacement, incoherent intermediate scattering function and non-Gaussian parameter, it was found that the β-relaxation in Mg7Zn3 supercooled liquid becomes more and more evident with decreasing temperature, and the α-relaxation time rapidly increases in the VFT law. Moreover, the smaller Zn atom has a faster relaxation behavior than the Mg atom. Some local atomic structures with short-range order have lower mobility, and they play a critical role in the appearance of cage effect in theβ-relaxation regime. The dynamics deviates from the Arrhenius law just at the temperature as the number of local atomic structures begins to rapidly increase. The dynamic glass transition temperature （Tc） is close to the glass transition point in structure （TgStr）.

Dynamic simulations of the late MIS 3 transgressions in the East China Sea and southern Yellow Sea,China

Abundant evidences of higher sea levels from Jiangsu and Fujian coasts have proved a marine transgression event during 30–40 ka BP, suggesting that there was a stage with high sea level and a warm climate when ice sheets shrank in the Northern Hemisphere. The duration of 30–40 ka BP spanned a period in the late Marine Isotope Stage 3（MIS 3） and was in nature an interstadial epoch during the Last Glacial period of the Quaternary. Different from the glacial period with a cold climate, this marine transgression considered as a penultimate higher sea level during the Quaternary remains a puzzle that why the evidence is contrary to the Quaternary glacial theory. It is important to understand sea level rise for these areas sensitively responding to the global changes in the future. To recognize the key issues on sea level changes, the eustatic sea level（H_S） was defined as the glaciation-climateforced sea levels, and the relative sea level change（H_R） was defined as that a sea level record was preserved in sediment that experienced multiple secondary actions of land and sea effects. On the basis as defined above, we constructed multi-level models of climate-driven glacio-eustatic changes and land-sea systems. By integrating data sets from eight borehole cores and prescribing the boundary conditions, we simulated the changes of HS and HR in the East China Sea and southern Yellow Sea areas in the late MIS 3. The marine transgression strata from the borehole core data was identified at ca. 30 m below present sea level as a result of the collective influence of ice melting water, neotectonic subsidence, sediment compaction and terrestrial sediment filling since ca. 35 ka ago,whereas the simulated relative sea-levels turned out to be –26.3––29.9 m a.s.l. The small error involved in the simulation results of ±（2.5–4.5） m demonstrated the credibility of the results. Our results indicated that sea level change in the late MIS 3 was dominated by glacial effects, in which the eustatic sea-level was between –19.2––22.1m a.s.l. The study sheds light on the nature of sea-level changes along the east coast of China in the late MIS 3 and contributes to understanding the characteristics of marine transgression under the effects of multiple complex land-sea interactions.

Molecular Docking, 3D-QSAR and Molecular Dynamics Simulation Studies of Substituted Pyrimidines as Selective Covalent Janus Kinase 3 Inhibitors

Janus kinase 3（JAK3） is a member of Janus kinase（JAK） family, and it represents a promising target for the treatment of immune diseases and cancers. However, no highly selective inhibitors of JAK3 have been developed. For discovering the binding mechanism of JAK3 and these inhibitors, a molecular modeling study combining molecular docking, three-dimensional quantitative structure-activity relationships（3D-QSAR）, molecular dynamics and binding free energy calculations was performed on a series of pyrimidine-based compounds which could bind with the unique residue Cys909 of JAK3 kinase as the selective inhibitors of JAK3 in this work. The optimum Co MFA and Co MSIA models were generated based on the conformations obtained by molecular docking. The results showed that the models have satisfactory predicted capacity in both internal and external validation. Furthermore, a 50 ns molecular dynamics simulation was carried out to determine the detailed binding process of inhibitors with different activities. It was demonstrated that hydrogen bond interactions with Leu828, Glu903, Tyr904, Leu905 and Leu956 of JAK3 are significant for activity increase, and the Van der Waals interaction is mainly responsible for stable complex.

Investigation on automated loading of dynamic 3D heat source model for welding simulation

Since programing complex and dynamic heat source model for welding simulation is a complex job,the parametric methods are studied in this paper.Firstly,an overall flow to achieve automatically modeling welding was introduced.Secondly,an expert module rule for selecting welding heat source model was founded,which is based on simulation knowledge and experiences.Thirdly,a modularity routine method was investigated using writing with C++programing,which automatically creates subroutines of 3D dynamic heat source model for user.To realize the dynamic weld path,the local weld path coordinate system was moved in the global coordinate system and it is used to model the direction of weld gun,welding path and welding pose.The weld path data file was prepared by the automatic tool for the welding heat source subroutines.All above functions were integrated in the user interface and the connection with architecture was introduced.At last,a laser beam welding heat source modeling was automatically modeled and the weld pool geometry was compared with the reported literature.It demonstrated that the automated tool is valid for welding simulation.Since modeling became convenient for welding simulation using the tool proposed,it could be easy and useful for welding engineers to acquire the needed information.

Molecular dynamics simulation of Ni_3Al melting

With the Voter-Chen version of embedded-atom model （EAM） potential and molecular dynamics, the melting of Ni3Al alloy was simulated by one-phase （conventional） and two-phase approaches. It is shown that the simulated melting point is dependent on the potential and the simulation method. The structures of the melts obtained by different simulation methods were analyzed by the pair correlation function, the coordination number, and the distribution of atom pair type （indexed by the Honeycutt-Andersen pair analysis technique）. The results show that the structures are very similar.

Molecular Dynamics Simulation of YCl_3 Melt

The molecular dynamics method has been used to study the YCl3 molten salt. The results of the molecular dynamics simulation agree with those of the neutron diffraction experiment. It is found that there are like-octahedral structure of YCl or its fragment. The diffusion coefficients of Y3+ and Cl- in the YCl3 melt are also calculated.

Molecular Dynamics Simulation of Dealloyed Layer-induced Tensile Stress in Cu_3Au

During stress corrosion cracking of Cu3Au alloy, there is a dealloyed layer on its surface because of preferential dissolution of Cu, and there is a linear distribution of Cu vacancy concentration in the dealloyed layer. Molecular dynamics simulation has been done on the three-dimensional crystal (about 148 000 atoms) by employing the embedded-atom method (EAM) potential. Simulation shows that Cu3Au crystal in which there is a dealloyed layer on one surface and one end is fixed will be deflected after relaxing for a long time because of a tensile stress generated at or near the dealloyed layer interface. The deflection and then the tensile stress increase with increasing the depth of dealloyed layer and the vacancy concentration in the dealloyed layer.

Dynamic response and numerical simulation of Al-Sc and Al-Ti alloys under high-speed impact

Al-Sc and Al-Ti semi-infinite targets were impacted by high-speed projectiles at velocities of 0.8, 1.0, 1.2 and 1.5 km/s, respectively. It is found that the Al-Sc targets demonstrate more excellent ability to resist high-speed impact. It is concluded that different microstructures of Al-Sc and Al-Ti alloys, including different grain sizes and secondary particles precipitated in the matrix, result in their greatly different capabilities of resisting impact. Furthermore, the effect of the size range ofnanoscale A13Sc precipitate in A1-Sc alloy on the resistance of high-speed impact was investigated. In addition, computer simulations and validation of these simulations were developed which fairly accurately represented residual crater shapes/geometries. Validated computer simulations allowed representative extrapolations of impact craters well beyond the laboratory where melt and solidification occurred at the crater wall, especially for hypervelocity impact （〉5 km/s）.

Numerical simulations of full-wave fi elds and analysis of channel wave characteristics in 3-D coal mine roadway models

Currently, numerical simulations of seismic channel waves for the advance detection of geological structures in coal mine roadways focus mainly on modeling two- dimensional wave fields and therefore cannot accurately simulate three-dimensional （3-D） full-wave fields or seismic records in a full-space observation system. In this study, we use the first-order velocity-stress staggered-grid finite difference algorithm to simulate 3-D full-wave fields with P-wave sources in front of coal mine roadways. We determine the three components of velocity Vx, Vy, and Vz for the same node in 3-D staggered-grid finite difference models by calculating the average value of Vy, and Vz of the nodes around the same node. We ascertain the wave patterns and their propagation characteristics in both symmetrical and asymmetric coal mine roadway models. Our simulation results indicate that the Rayleigh channel wave is stronger than the Love channel wave in front of the roadway face. The reflected Rayleigh waves from the roadway face are concentrated in the coal seam, release less energy to the roof and floor, and propagate for a longer distance. There are surface waves and refraction head waves around the roadway. In the seismic records, the Rayleigh wave energy is stronger than that of the Love channel wave along coal walls of the roadway, and the interference of the head waves and surface waves with the Rayleigh channel wave is weaker than with the Love channel wave. It is thus difficult to identify the Love channel wave in the seismic records. Increasing the depth of the receivers in the coal walls can effectively weaken the interference of surface waves with the Rayleigh channel wave, but cannot weaken the interference of surface waves with the Love channel wave. Our research results also suggest that the Love channel wave, which is often used to detect geological structures in coal mine stopes, is not suitable for detecting geological structures in front of coal mine roadways. Instead, the Rayleigh channel wave can be used for the advance detection of geological structures in coal mine roadways.

SIMULATION OF 3-D DEFORMATION AND MATERIAL FLOW DURING ROLL FORGING PROCESS USING SYSTEM OF OVAL-ROUND GROOVE

Basing on the analysis of the traits of the roll forging process, a system-model of computer simulation has been established. Three-dimensional rigid-plastic FEM has been used for the simulation of the deformation process in the oval and round pass rolling, including the entering, rolling, and separating stages. The analysis was conducted using the Deform-3D ver.5.0 code. The important information concerned with the deformation area characteristic, material flow, and velocity field has been presented. Otherwise, the location of the neutral plane in the deformation area was shown clearly.

Discrete Element with Flexible Connector for Dynamic Analysis of 3-D Beam Structures

Combined multi-body dynamics with structural dynamics, a new discrete element with flexible connector, which is applicable for 3-D beam structures, is developed in this paper. Both the generalized elastic coefficient matrix of the flexible connector and the mass matrix of discrete element may be off-diagonal in a general case. The zero-length rigid element is introduced to simulate the node at which multiple elements are jointed together. It may also be effective when the axes of adjacent elements are not in the same line. The examples for eigenvalue calculation show that the model is successful. It can be extended to the geometric nonlinear response analysis.

Dynamics and Stability of Blind Grasping of a 3-Dimensional Object under Non-holonomic Constraints

A mathematical model expressing the motion of a pair of multi-DOF robot fingers with hemi-spherical ends, grasping a 3-D rigid object with parallel fiat surfaces, is derived, together with non-holonomic constraints. By referring to the fact that humans grasp an object in the form of precision prehension, dynamically and stably by opposable forces, between the thumb and another finger （index or middle finger）, a simple control signal constructed from finger-thumb opposition is proposed, and shown to realize stable grasping in a dynamic sense without using object information or external sensing （this is called ＂blind grasp＂ in this paper）. The stability of grasping with force/torque balance under non-holonomic constraints is analyzed on the basis of a new concept named ＂stability on a manifold＂. Preliminary simulation results are shown to verify the validity of the theoretical results.

Simulation of subcritical flow pattern in 180° uniform and convergent open-channel bends using SSIIM 3-D model

In meandering rivers, the flow pattern is highly complex, with specific characteristics at bends that are not observed along straight paths. A numerical model can be effectively used to predict such flow fields. Since river bends are not uniform-some are divergent and others convergent-in this study, after the SSIIM 3-D model was calibrated using the result of measurements along a uniform 180° bend with a width of 0.6 m, a similar but convergent 180v bend, 0.6 m to 0.45 m wide, was simulated using the SSI1M 3-D numerical model. Flow characteristics of the convergent 180° bend, including lengthwise and vertical velocity profiles, primary and secondary flows, lengthwise and widtbwise slopes of the water surface, and the helical flow strength, were compared with those of the uniform 180° bend. The verification results of the model show that the numerical model can effectively simulate the flow field in the uniform bend. In addition, this research indicates that, in a convergent channel, the maximum velocity path at a plane near the water surface crosses the channel＇s centerline at about a 30° to 40° cross-section, while in the uniform bend, this occurs at about the 50° cross-section. The varying range of the water surface elevation is wider in the convergent channel than in the uniform one, and the strength of the helical flow is generally greater in the uniform channel than in the convergent one. Also, unlike the uniform bend, the convergent bend exhibits no rotational cell against the main direction of secondary flow rotation at the 135° cross-section.

3-D Fracture Network Modelling in Hydropower Engineering Based on Optimal Monte Carlo Simulation

Effectively and accurately modelling the spatial relation of fracture surfaces is crucial in the design and construction of large hydropower dams having a complex underlying geology. However, fracture surfaces are randomly formed and vary greatly with respect to their spatial distribution, which makes the construction of accurate 3-D models challenging. In this study, we use an optimal Monte Carlo simulation and dynamic conditioning to construct a fracture network model. We found the optimal Monte Carlo simulation to effectively reduce the error associated with the Monte Carlo method and use dynamic conditioning to ensure the consistency of the model with the actual distribution of fractures on the excavation faces and outcrops. We applied this novel approach to a hydropower station on the Jinshajiang River, China. The simulation results matched the real sampled values well, confirming that the model is capable of effectively and accurately simulating the spatial relations in a fracture network. © 2017, Tianjin University and Springer-Verlag Berlin Heidelberg.

3-D Simulation Study on Seismic Response of Bridge Piles in Landslide

The anti-slide support structure is widely used in the anti-seismic reinforcement of bridge foundations,but related experimental research was processing slowly. Based on the prototype of the Jiuzhaigou bridge at the Chengdu-Lanzhou Railway,a 3-D simulation model was established on the basis of the shaking table model test,and the rationality of the dynamic analysis model was verified by indicators such as the bending moment of the bridge piles,peak soil pressure,and PGA amplification factors. The results show that the inertia force of the bridge pier has an important influence on the deformation of the pile foundation. The bending moment and shearing force are larger in lateral bridge piles,and the maximum value is near the pile top. The PGA amplification factor is stronger in the back of the rear anti-slide piles and so is it in front of the bridge pier,and the soil is prone to slip and damage. The bedrock is rigid and the dynamic response is maintained at a low level. The anti-slide piles in the rear row play a major role in the anti-seismic reinforcement design,and the anti-slide piles in the front row can be used as an auxiliary support structure.

3-D Finite-Element Numerical Simulation of Centrifugal Induction Electrosalg Casting Solidification Process

A 3-D finite-element numerical simulation model of temperature field for CIESC casting solidification process was developed with the aid of ANSYS software and a series of corresponding experiments were made. The results showed that the good agreement was obtained between the numerical simulation and the experiments. Based on the numerical simulation results, the characteristics of temperature distribution in the castings during CIESC solidification process were analyzed and summarized. According to the G/R-1/2 method and numerical simulation results, there is no any shrinkage defect in the CIESC casting and structure or casting is fine and compact.

Filling Simulation of Three-dimension Braided Composite in Resin Transfer Molding

This paper measured permeability of three-dimension braided preform by radial technology. The results show that principal permeability tensor coincided with their braiding axial direction. The software of one dimensional flow filling mold was designed using Visual C++ language. Filling time is predicted and validated. The result showed that the filling time of the mold centerline agrees with the prediction value. The filling time of the mould edge is shorter than that of the prediction. An actual plate of 3D braided preform/ modified polyarylacetylene composite is produced according to prediction value and validation analysis.

THE SYSTEM SIMULATION OF THREE-DIMENSIONAL RADAR

To provide a test platform for Electronic Warfare (EW) system, it is needed to simulate the radar received Intermediate Frequency (IF) signals and radar system functions.This letter gives a description of a radar system simulation software developed for frequencyphase scanning three-dimensional (3-D) radar. Experimental results prove that the software could be used for system evaluation and for training purposes as an attractive alternative to real EW system.

THE ANALYSIS OF DYNAMIC STRESS INTENSITY FACTOR FOR SEMI-CIRCULAR SURFACE CRACK USING TIME-DOMAIN BEM FORMULATION

The time-domain BEM was developed to analyze the dynamic stress intensity factor ( DSIF) of 3-D elastodynamic crack problems. To simulate the stress singularity along the front of a crack, eight-node isoparametric singular elements were used, and the DSIF for a semi-circular surface crack was firstly calculated based on displacement equation using the time-domain BEM formulation. The new scheme to determine the time step was brought forward. By the dynamic analysis program of time-domain BEM compiled by its, several numerical examples are presented, which demonstrate the unconditional stability and high accuracy of time-domain BEM applied to 3-D elastodynamic crack problems.