Molecular Dynamics Simulation of Interface Properties between Water-Based Inorganic Zinc Silicate Coating Modified by Organosilicone and Iron Substrate

The interface properties of Fe(101)/zinc silicate modified by organo-siloxane(KH-570)was studied by using the method of molecular dynamics simulation.By calculating the temperature and energy fluctuation of equilibrium state,equilibrium concentration distribution,MSD of layer and different groups,and interaction energy of two interface models,the influencing mechanism on the interface properties of adding organosiloxane into coating system was studied at the atomic scale.It shows that the temperature and energy of interface oscillated in a small range and it was exited in a state of dynamic equilibrium within the initial simulation stage(t<20 ps).It can be seen from the multiple peak states of concentration distribution that the iron substrate,organo-siloxane and zinc silicate are distributed in the form of a concentration gradient in the real environment.The rapid diffusion of free zinc powder in zinc silicate coating was the essential reason that affected the comprehensive properties of coating.The interface thickness decreased from 7.45 to 6.82Å,the MSD of free zinc powder was effectively reduced,and the interfacial energy was increased from 104.667 to 347.158 kcal/mol after being modified by organo-siloxane.

An interface shear damage model of chromium coating/steel substrate under thermal erosion load

The Cr-plated coating inside a gun barrel can effectively improve the barrel’s erosion resistance and thus increase the service life.However,due to the cyclic thermal load caused by high-temperature gunpowder,micro-element damage tends to occur within the Cr coating/steel substrate interface,leading to a gradual deterioration in macro-mechanical properties for the material in the related region.In order to mimic this cyclic thermal load and,thereby,study the thermal erosion behavior of the Cr coating on the barrel’s inner wall,a laser emitter is utilized in the current study.With the help of in-situ tensile test and finite element simulation results,a shear stress distribution law of the Cr coating/steel substrate and a change law of the interface ultimate shear strength are identified.Studies have shown that the Cr coating/steel substrate interface’s ultimate shear strength has a significant weakening effect due to increasing temperature.In this study,the interfacial ultimate shear strength decreases from 2.57 GPa(no erosion)to 1.02 GPa(laser power is 160 W).The data from this experiment is employed to establish a Cr coating/steel substrate interface shear damage model.And this model is used to predict the flaking process of Cr coating by finite element method.The simulation results show that the increase of coating crack spacing and coating thickness will increase the service life of gun barrel.

Analyzing Bandwidth on the Microwave Absorber by the Interface Reflection Model

Metallic flaky sendust particles are prepared for use as fillers in electromagnetic attenuation composites. We report the interface reflection model to divide the broad bandwidth into electromagnetic loss and quarter-wavelength （λ/4） cancelation. Combining with the face reflection calculation, we identify the electromagnetic loss originated from skin effect, which is used to explain over half of the absorbed energy in high frequency band. Most impor- tantly, the unique electromagnetic loss cannot generate the reflection loss （RL） peak. Using the phase relation of face reflection, we show evidence that the λ/4 cancelation is vital to generate the RL peak. The calculated energy loss agrees well with the experimental data and lays the foundation for further research.

CALCULATION OF THE DAMPING OF THE Zn-27Al ALLOY BASED ON THE MICRO INTERFACE SLIDING MODEL

The microstructures of the Zn-27Al alloy after modification, solid-solution treatment, and natural aging were studied. It was clarified why the damping properties of Zn-27Al alloys, after treatment, had advanced most on the basis of analyzing the microstructures. Approximate expressions have been educed, which can be used to quantificationally work out the damping of the Zn-27Al alloy on the basis of the micro interface sliding model. By comparing the testing damping properties of the foundry Zn-27Al alloys and the Zn-27Al alloys after modification, solid solution, and natural aging, it was shown that the expressions were rational.

Seismic traveltime inversion of 3D velocity model with triangulated interfaces

Seismic traveltime tomographic inversion has played an important role in detecting the internal structure of the solid earth. We use a set of blocks to approximate geologically complex media that cannot be well described by layered models or cells. The geological body is described as an aggregate of arbitrarily shaped blocks,which are separated by triangulated interfaces. We can describe the media as homogenous or heterogeneous in each block. We define the velocities at the given rectangle grid points for each block,and the heterogeneous velocities in each block can be calculated by a linear interpolation algorithm. The parameters of the velocity grid positions are independent of the model parameterization,which is advantageous in the joint inversion of the velocities and the node depths of an interface. We implement a segmentally iterative ray tracer to calculate traveltimes in the 3D heterogeneous block models.The damped least squares method is employed in seismic traveltime inversion,which includes the partial derivatives of traveltime with respect to the depths of nodes in the triangulated interfaces and velocities defined in rectangular grids. The numerical tests indicate that the node depths of a triangulated interface and homogeneous velocity distributions can be well inverted in a stratified model.

Development and application of an interface constitutive model for fully grouted rock-bolts and cable-bolts

This paper proposes a new interface constitutive model for fully grouted rock-bolts and cable-bolts based on pull-out test results.A database was created combining published experimental data with in-house tests.By means of a comprehensive framework,a Coulomb-type failure criterion accounting for friction mobilization was defined.During the elastic phase,in which the interface joint is not yet created,the proposed model provides zero radial displacement,and once the interface joint is created,interface dilatancy is modeled using a non-associated plastic potential inspired from the behavior of rock joints.The results predicted by the proposed model are in good agreement with experimental results.The model has been implemented in a finite element method(FEM)code and numerical simulations have been performed at the elementary and the structural scales.The results obtained provide confidence in the ability of the new model to assist in the design and optimization of bolting patterns.

Disturbed state concept as unified constitutive modeling approach

A unified constitutive modeling approach is highly desirable to characterize a wide range of engineeringmaterials subjected simultaneously to the effect of a number of factors such as elastic, plastic and creepdeformations, stress path, volume change, microcracking leading to fracture, failure and softening,stiffening, and mechanical and environmental forces. There are hardly available such unified models. Thedisturbed state concept （DSC） is considered to be a unified approach and is able to provide materialcharacterization for almost all of the above factors. This paper presents a description of the DSC, andstatements for determination of parameters based on triaxial, multiaxial and interface tests. Statementsof DSC and validation at the specimen level and at the boundary value problem levels are also presented.An extensive list of publications by the author and others is provided at the end. The DSC is considered tobe a unique and versatile procedure for modeling behaviors of engineering materials and interfaces. 2016 Institute of Rock and Soil Mechanics, Chinese Academy of Sciences. Production and hosting byElsevier B.V. This is an open access article under the CC BY-NC-ND license

Interface models for thin interfacial layers

There have already been several interface models for the analyses of thin interfacial layers in bonded materials. To distinguish their corresponding advantages or limitations, a comparative study is carried out, and a new constitutive-based interface model is proposed. Through numerical examinations, the limitations of typical models are clarified. It is found that the new interface model is an efficient and accurate model, by which both the traction and the displacement jumps across the modelled interface with the thickness of zero are allowed, and the stresses within the interracial layer can also be analyzed.

Micropolar interface model of thin-layered interconnection components with heterogeneous internal microstructures

Being a wide variety of thin-layered interconnection components in electronics packaging with relatively small scale and heterogeneous materials, conventional numerical methods may be time consuming and even inefficacious to obtain an accurate prediction for the interface behavior under mechanical and/or thermal loading. Rather than resort to a fully spatial discretization in the vicinity of this interface zone, an interface model was proposed within the framework of micropolar theory by introducing discontinuous approximation. A fracture description was used to represent the microscopic failure progress inside the interface. The micropolar interface model was then numerically implemented with the finite element method. As an application, the interface behavior of a packaging system with anisotropic conductive adhesive (ACA) joint was analyzed, demonstrating its applicability and great efficiency.

Earth Ecosystem Theory: Ⅲ Structure and Interface

By applying the segmentation and composition principles of ecosystem,the structure and interface of earth ecosystem are fully elaborated,and corresponding model diagrams are established to display its composition and interconversion. The research finds that earth ecosystem includes three sub-ecosystems： terrestrial ecosystem,marine ecosystem and atmospheric ecosystem. The impact sequence of sub-ecosystems on earth ecosystem is atmospheric ecosystem 〉 marine ecosystem 〉 terrestrial ecosystem. Based on the segmentation and composition principles of ecosystem and the application of earth ecosystem structure and interface,we give new explanations to Taoism and Taiji with the eight diagrams,which contributes to theoretical research of natural science.

Microwave absorption and bandwidth study of Y_(2)Co_(17)rare earth soft magnetic alloy with easy-plane anisotropy

The easy-plane anisotropy of the Y_(2)Co_(17)rare earth soft magnetic alloy has high saturation magnetization and operating frequency,and good impedance matching.Therefore,it is expected to become a kind of high-performance microwave absorbing material.In this paper,Y_(2)Co_(17)alloy was prepared by a reduction-diffusion method,and its micropowder was prepared as polyurethane(PU)based composite absorbing materials(Y_(2)Co_(17)/PU composites).The microwave properties of composites with different volume fractions were calculated.The composites showed outstanding absorption characteristics in the range of 20-30 vol%,and the minimum reflection loss(RL)was less than-50 d B.When the volume fraction was25%,the effective absorption bandwidth could cover the X-band at a thickness of 1.5 mm,and the Ku-band at a thickness of1.08 mm.The absorption mechanism was analyzed by the interface reflection model.The RL absorption peak bandwidth mechanism was discussed by using the amplitude relation and calculating the effective absorption bandwidth at different thicknesses.The effective absorption bandwidth values were in good agreement with the theoretical expectation.

Theoretical investigation on axial cyclic performance of monopile in sands using interface constitutive models

Cyclic loads generated by environmental factors,such as winds,waves,and trains,will likely lead to performance degradation in pile foundations,resulting in issues like permanent displacement accumulation and bearing capacity attenuation.This paper presents a semi-analytical solution for predicting the axial cyclic behavior of piles in sands.The solution relies on two enhanced nonlinear load-transfer models considering stress-strain hysteresis and cyclic degradation in the pile-soil interaction.Model parameters are calibrated through cyclic shear tests of the sand-steel interface and laboratory geotechnical testing of sands.A novel aspect involves the meticulous formulation of the shaft loadtransfer function using an interface constitutive model,which inherently inherits the interface model’s advantages,such as capturing hysteresis,hardening,degradation,and particle breakage.The semi-analytical solution is computed numerically using the matrix displacement method,and the calculated values are validated through model tests performed on non-displacement and displacement piles in sands.The results demonstrate that the predicted values show excellent agreement with the measured values for both the static and cyclic responses of piles in sands.The displacement pile response,including factors such as bearing capacity,mobilized shaft resistance,and convergence rate of permanent settlement,exhibit improvements compared to non-displacement piles attributed to the soil squeezing effect.This methodology presents an innovative analytical framework,allowing for integrating cyclic interface models into the theoretical investigation of pile responses.

Influences of interphase on dynamic effective properties of composites reinforced by dispersed spherical particles

The influences of interphase on dynamic effective properties of composites reinforced by randomly dispersed spherical particles were studied. A thin homogeneous elastic interphase with different shear and bulk moduli, located between the reinforced particle and the host matrix, was introduced to model the interfacial bonding state. The effects of such an interphase on the coherent plane waves were studied numerically. Numerical simulations were carried out for SiC-Al composites with four typical cases of interphase. It was found that the property of interphase has significant influences on the effective propagation constants of coherent waves and the dynamic effective elastic moduli of the composites. The influences on the coherent longitudinal wave and the coherent shear waves were different and dependent upon the frequency range. Moreover, several imperfect interface models, i.e., the spring model, mass model, and spring-mass model, were studied numerically and compared with the interphase model, It was found that the spring model is a more suitable model than the mass model for the light and weak interphase whereas the mass model is a more suitable model than the spring model for the heavy and strong interphase.

A sophisticated simulation for the fracture behavior of concrete material using XFEM

The development of a powerful numerical model to simulate the fracture behavior of concrete material has long been one of the dominant research areas in earthquake engineering. A reliable model should be able to adequately represent the discontinuous characteristics of cracks and simulate various failure behaviors under complicated loading conditions. In this paper, a numerical formulation, which incorporates a sophisticated rigid-plastic interface constitutive model coupling cohesion softening, contact, friction and shear dilatation into the XFEM, is proposed to describe various crack behaviors of concrete material. An effective numerical integration scheme for accurately assembling the contribution to the weak form on both sides of the discontinuity is introduced. The effectiveness of the proposed method has been assessed by simulating several well-known experimental tests. It is concluded that the numerical method can successfully capture the crack paths and accurately predict the fracture behavior of concrete structures. The influence ofmode-Ⅱ parameters on the mixed-mode fracture behavior is further investigated to better determine these parameters.

OPEN ARCHITECTURE CNC SYSTEM HITCNC AND KEY TECHNOLOGY

Aiming at the characteristics of modularity and reconfigurable in open architecture computer numerical control （CNC） system, the open architecture CNC system, Harbin Institute of Tech- nology computer numerical control （HITCNC）, is researched and manufactured based on the interface standards. The system＇s external interfaces are coincident with the corresponding international standards, and the internal interfaces follow the open modular architecture controller （OMAC） agreement. In the research and manufacturing process, object-oriented technology is used to ensure the openness of the HITCNC, and static programming is applied in the CNC system according to the idea of modularization disassembly. The HITCNC also actualizes real-time and unreal-time modules adopting real-time dynamical linked library （RTDLL） and component object model （COM）. Finite state ma- chine （FSM） is adopted to do dynamically modeling of HITCNC. The complete separation between the software and the hardware is achieved in the HITCNC by applying the SoftSERCANS technique. The application of the above key techniques decreases the programming workload greatly, and uses software programs replacing hardware functions, which offers plenty technique ensures for the openness of HITCNC. Finally, based on the HITCNC, a three-dimensional milling system is established. On the system, series experiments are done to validate the expandability and interchangeability of HITCNC. The results of the experiments show that the established open architecture CNC system HITCNC is correct and feasible, and has good openness.

Behavior of compacted clay-concrete interface

Tests of interface between compacted clay and concrete were conducted systematically using interface simple shear test apparatus.The samples,having same dry density with different water content ratio,were prepared.Two types of concrete with different surface roughness,i.e.,relatively smooth and relatively rough surface roughness,were also prepared.The main objectives of this paper are to show the effect of water content,normal stress and rough surface on the shear stress-shear displacement relationship of clay-concrete interface.The following were concluded in this study:1)the interface shear sliding dominates the interface shear displacement behavior for both cases of relatively rough and smooth concrete surface except when the clay water content is greater than 16%for the case of rough concrete surface where the shear failure occurs in the body of the clay sample;2)the results of interface shear strength obtained by direct shear test were different from that of simple shear test for the case of rough concrete surface;3)two types of interface failure mechanism may change each other with different water content ratio;4)the interface shear strength increases with increasing water content ratio especially for the case of clay-rough concrete surface interface.

Global Spherically Symmetric Solutions for a Coupled Compressible Navier–Stokes/Allen–Cahn System

In this paper,we consider the global spherically symmetric solutions for the initial boundary value problem of a coupled compressible Navier–Stokes/Allen–Cahn system which describes the motion of two-phase viscous compressible fluids.We prove the existence and uniqueness of global classical solution,weak solution and strong solution under the assumption of spherically symmetry condition for initial dataρ0 without vacuum state.

Nonlinear elastic model for compacted clay concrete interface

In this paper,a nonlinear elastic model was developed to simulate the behavior of compacted clay concrete interface(CCCI)based on the principle of transition mechanism failure(TMF).A number of simple shear tests were conducted on CCCI to demonstrate different failure mechanisms;i.e.,sliding failure and deformation failure.The clay soil used in the test was collected from the"Shuang Jang Kou"earth rockfill dam project.It was found that the behavior of the interface depends on the critical water contents by which two failure mechanisms can be recognized.Mathematical relations were proposed between the shear at failure and water content in addition to the transition mechanism indicator.The mathematical relations were then incorporated into the interface model.The performance of the model is verified with the experimental results.The verification shows that the proposed model is capable of predicting the interface shear stress versus the total shear displacement very well.

STABILITY AND CONVERGENCE ANALYSIS OF SECOND-ORDER SCHEMES FOR A DIFFUSE INTERFACE MODEL WITH PENG-ROBINSON EQUATION OF STATE

In this paper, we present two second-order numerical schemes to solve the fourth order parabolic equation derived from a diffuse interface model with Peng-Robinson Equation of state （EOS） for pure substance. The mass conservation, energy decay property, unique solvability and L~ convergence of these two schemes are proved. Numerical results demon- strate the good approximation of the fourth order equation and confirm reliability of these two schemes.

Current development in quantitative phase-field modeling of solidification

The quantitative phase-field simulations were reviewed on the processes of solidification of pure metals and alloys.The quantitative phase-field equations were treated in a diffuse thin-interface limit,which enabled the quantitative links between interface dynamics and model parameters in the quasi-equilibrium simulations.As a result,the quantitative modeling is more effective in dealing with microstructural pattern formation in the large scale simulations without any spurious kinetic effects.The development of the quantitative phase-field models in modeling the formation of microstructures such as dendritic structures,eutectic lamellas,seaweed morphologies,and grain boundaries in different solidified conditions was also reviewed with the purpose of guiding to find the new prospect of applications in the quantitative phase-field simulations.