二维Janus结构的PdSSe/石墨烯接触特性的第一性原理探究

Janus结构由于其两侧的原子不同,存在一个内建电场.在本工作中,将具有Janus结构的六角PdSSe与石墨烯复合,构成范德瓦尔斯异质结构.通过基于密度泛函理论的第一性原理计算对其几何结构和电子结构进行了研究.计算中考虑了两种堆叠方式,即Se侧与石墨烯接触和S侧与石墨烯接触.当S侧与石墨烯接触时,体系具有更小的平衡间距和更大的电荷转移,结合能更低. S侧与石墨烯接触时形成了为n型欧姆接触;Se侧与石墨烯接触时形成了势垒极低的n型肖特基接触.最后,讨论了垂直应变对接触特性的影响.通过施加垂直应变,PdSSe/石墨烯的接触类型具有显著的可调性.     

表面黏附导致的接触行为转变

应用大规模分子动力学方法, 模拟了具有不同原子级粗糙形貌的两种刚性球形探头与弹性平面基体的黏附接触行为. 研究了载荷与真实接触面积、接触界面排斥力与真实接触面积, 以及黏附力与真实接触面积之间的关系. 分子模拟得到的载荷与真实接触面积的关系, 与连续力学接触理论预测很好地定性一致. 无论是原子级光滑探头还是粗糙探头, 黏附接触下的排斥力与真实接触面积的关系, 都与无黏附接触时的规律相一致, 即黏附力对接触行为的影响作用, 可以等效为附加在真实外载荷基础上的虚拟载荷, 将对黏附接触行为的分析转变为无黏附接触分析. 两种探头的黏附力随真实接触面积都呈幂函数形式的增长, 但是, 原子级光滑探头的幂指数大于1, 而原子级粗糙探头的幂指数小于1. 关键词： 接触行为 表面黏附 分子动力学模拟     

Experimental analysis of interface contact behavior using a novel image processing method

The spatial and temporal evolution of real contact area of contact interface with loads is a challenge. It is generally believed that there is a positive linear correlation between real contact area and normal load. However, with the development of measuring instruments and methods, some scholars have found that the growth rate of real contact area will slow down with the increase of normal load under certain conditions, such as large-scale interface contact with small roughness surface,which is called the nonlinear phenomenon of real contact area. At present, there is no unified conclusion on the explanation of this phenomenon. We set up an experimental apparatus based on the total reflection principle to verify this phenomenon and analyze its mechanism. An image processing method is proposed, which can be used to quantitative analysis micro contact behaviors on macro contact phenomenon. The weighted superposition method is used to identify micro contact spots, to calculate the real contact area, and the color superimposed image is used to identify micro contact behaviors.Based on this method, the spatiotemporal evolution mechanism of real contact area nonlinear phenomena is quantitatively analyzed. Furthermore, the influence of nonlinear phenomenon of real contact area on the whole loading and unloading process is analyzed experimentally. It is found that the effects of fluid between contact interface, normal load amplitude and initial contact state on contact behavior cannot be ignored in large-scale interface contact with small roughness surface.     

基于静态双重区域分解的两种接触并行算法

CHAP3D是北京应用物理与计算数学研究所自主研发的Lagrange通用弹塑性流体力学分析程序.文章介绍了在CHAP3D程序中使用的、针对多处理器集群的、基于静态双重区域分解的两种接触并行算法.第一种是分配单个完整接触面的接触并行算法，此算法将一对完整的接触面分配到一个处理器上，并建立计算域与接触域的通信关系.此接触并行算法的优点是简单，在具有接触面的处理器上可以直接使用串行的接触搜索算法和接触力耦合计算算法.另一种是主面剖分区域分解的接触并行算法，此算法将所有接触面的主面区域分解到所有处理器上.须建立计算域与接触域以及接触域内各处理器间的两种通信关系.该接触并行算法是一个负载平衡的并行算法，具有很好的并行效率和可扩展性.数值算例显示，这两种接触并行算法都能够很好地模拟多种不同类型的接触问题.      

Dynamic tangential contact of rough surfaces in stick-slip microdrives: Modeling and validation using the method of dimensionality Reduction

The dynamic tangential contact of rough surfaces of frictional elements of a stick-slip microdrive is theoretically investigated. By applying the method of dimensionality reduction, the contact areas of the frictional partners are modeled such that the physical properties of the contact can be fully considered and the influence of the roughness is taken into account. The dynamics of the microscopic rough contact is combined with a macroscopic movement of the drive’s runner in a hybrid dynamic simulation. The numerical results show a good agreement with experimental data. Furthermore, an analytical relation between maximal tangential contact displacement and normal force applied to the contact is analyzed, allowing the contact behavior to be theoretically predicted.     

Molecular dynamics study of contact mechanics: contact area and interfacial separation from small to full contact

We report a molecular dynamics study of the contact between a rigid solid with a randomly rough surface and an elastic block with a flat surface. We study the contact area and the interfacial separation from small contact (low load) to full contact (high load). For small load the contact area varies linearly with the load and the interfacial separation depends logarithmically on the load. For high load the contact area approaches the nominal contact area (i.e., complete contact), and the interfacial separation approaches zero. The present results may be very important for soft solids, e.g., rubber, or for very smooth surfaces, where complete contact can be reached at moderate high loads without plastic deformation of the solids.     

A model for the characterization of friction contacts in turbine blades

Stresses produced by the forced vibrations can lead to a significant reduction of the life of turbo engine blades. To predict the vibration amplitudes of this components an accurate dynamic analysis is necessary. The forced response calculation of these dynamic systems is strongly affected by the presence of the contact interfaces (i.e., underplatform dampers, shrouds, root joints). Different contact models are available in literature. These models make use of contact parameters, contact stiffness and friction coefficient to evaluate the damping and stiffness related to the contact interfaces. In this paper a model is proposed to characterize friction contact of non-spherical contact geometries obeying the Coulomb friction law with constant friction coefficient and constant normal load. The hysteresis curves of the oscillating tangential contact forces vs. relative tangential displacements and the dissipated energy at the contact are obtained for different contact geometries. The developed model is suitable to be implemented in numerical solvers for the calculation of the forced response of turbine blades with embedded friction contacts.     

Decomposition of symmetric tensor fields in the presence of a flat contact projective structure

Abstract

Let M be an odd-dimensional Euclidean space endowed with a contact 1-form α. We investigate the space of symmetric contravariant tensor fields over M as a module over the Lie algebra of contact vector fields, i.e. over the Lie subalgebra made up of those vector fields that preserve the contact structure defined by a. If we consider symmetric tensor fields with coefficients in tensor densities (also called symbols), the vertical cotangent lift of the contact form a defines a contact invariant operator. We also extend the classical contact Hamiltonian to the space of symbols. This generalized Hamiltonian operator on the space of symbols is invariant with respect to the action of the projective contact algebra sp(2n+2) the algebra of vector fields which preserve both the contact structure and the projective structure of the Euclidean space. These two operators lead to a decomposition of the space of symbols, except for some critical density weights, which generalizes a splitting proposed by V. Ovsienko in [18].     

Study of top and bottom contact resistance in one organic field-effect transistor

This paper reports that the organic field-effect transistors with hybrid contact geometry were fabricated, in which the top electrodes and the bottom electrodes were combined in parallel resistances within one transistor. With the facility of the novel structure, the difference of contact resistance between the top contact geometry and the bottom contact geometry was studied. The hybrid contact devices showed similar characteristics with the top contact configuration devices, which provide helpful evidence on the lower contact resistance of the top contact configuration device. The origin of the different contact resistance between the top contact device and the bottom contact device was discussed.     

Quasi-static motion of microparticles at the depinning contact line of an evaporating droplet on PDMS surface

In this paper, evaporation of sessile water droplets containing fluorescent polystyrene(PS) microparticles on polydimethylsiloxane(PDMS) surfaces with different curing ratios was studied experimentally using laser confocal microscopy. At the beginning, there were some microparticles located at the contact line and some microparticles moved towards the line. Due to contact angle hysteresis, at first both the contact line and the microparticles were pinned. With the depinning contact line, the microparticles moved together spontaneously. Using the software ImageJ, the location of contact lines at different time were acquired and the circle centers and radii of the contact lines were obtained via the least square method. Then the average distance of two neighbor contact lines at a certain time interval was obtained to characterize the motion of the contact line. Fitting the distance-time curve at the depinning contact line stage with polynomials and differentiating the polynomials with time, we obtained the velocity and acceleration of both the contact line and the microparticles located at the line. The velocity and the maximum acceleration were,respectively, of the orders of 1 μm/s and 20-200 nm/s~2, indicating that the motion of the microparticles located at the depinning contact line was quasi-static. Finally, we presented a theoretical model to describe the quasi-static process, which may help in understanding both self-pinning and depinning of microparticles.     

晶体硅太阳电池双层电极优化分析与实验研究

相对于单层电极结构,优化的前表面双层电极能够明显减小功率损失,改善晶体硅太阳电池的电学特性．本文对晶体硅太阳电池的双层电极进行了优化分析和实验研究.通过扫描电子显微镜观测将双层电极的截面抽象为更接近于实际的半椭圆型,建立了太阳电池前表面的双层电极模型,理论分析了双层电极的电学损失和光学损失.结合丝网印刷后光诱导电镀太阳电池的实验,得到了理论和实验上的最优化光诱导电镀增厚电极厚度与丝网印刷电极宽度的关系.所得到的理论和实验结果符合良好.由于并不涉及电极制备的具体技术,双层电极理论模型普遍适用于多种类型的双层电极结构.     

Calculation of the effective diffusion coefficient for random wear surface migration on different scales

The paper considers the contact interaction of crystalline solids under shear deformation in the context of molecular dynamics. The interatomic interaction is specified by a potential calculated using the embedded atom method. The peculiarities of structural changes in a contact zone are studied for various materials of the contact pair. Based on the data extracted, the effective diffusion coefficient was estimated for random migration of the contact zone in a direction perpendicular to applied shear strains. The calculation results agree well with data of a microscopic contact model built around the method of movable cellular automata.     

Implicit Versus Explicit Renormalization of the NN Force: An S-Wave Toy Model

We use an S-wave toy model for the two-nucleon system to show that the implicit renormalization of a contact theory matches the explicit renormalization through a flow equation which integrates out the high momentum components. By fitting the low-momentum interaction with a new contact theory, we show that the running of the contact strengths in both original and fitted contact theories match over a wide cutoff range.     

Method of calculating the thermal resistance of a contact between metal surfaces

The physical nature of the thermal resistance at a contact between rough metal surfaces is considered. By analogy with the thermal resistance of a plate having a variable cross section and also by analogy with the identical form of Ohm's and Fourier's laws, an expression is derived for the thermal resistance of such a contact. Experiments are carried out to determine the thermal resistance of a contact in vacuo and in air. These investigations show that the calculated values of thermal contact resistance are in satisfactory agreement with experiment.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 1, pp. 27–32, January, 1976.     

Importance of tread inertia and damping on the tyre/road contact stiffness

Predicting tyre/road interaction processes like roughness excitation, stick-slip, stick-snap, wear and traction requires detailed information about the road surface, the tyre dynamics and the local deformation of the tread at the interface. Aspects of inertia and damping when the tread is locally deformed are often neglected in many existing tyre/road interaction models. The objective of this paper is to study how the dynamic features of the tread affect contact forces and contact stiffness during local deformation. This is done by simulating the detailed contact between an elastic layer and a rough road surface using a previously developed numerical time domain contact model. Road roughness on length scales smaller than the discretisation scale is included by the addition of nonlinear contact springs between each pair of contact elements. The dynamic case, with an elastic layer impulse response extending in time, is compared with the case where the corresponding quasi-static response is used. Results highlight the difficulty of estimating a constant contact stiffness as it increases during the indentation process between the elastic layer and the rough road surface. The stiffness–indentation relation additionally depends on how rapidly the contact develops; a faster process gives a stiffer contact. Material properties like loss factor and density also alter the contact development. This work implies that dynamic properties of the local tread deformation may be of importance when simulating contact details during normal tyre/road interaction conditions. There are however indications that the significant effect of damping could approximately be included as an increased stiffness in a quasi-static tread model.     

Mapping of Two-Dimensional Contact Problems on a Problem with a One-Dimensional Parametrization

We discuss a possible generalization of the ideas of the method of dimensionality reduction (MDR) for the mapping of two-dimensional contact problems (line contacts). The conventional formulation of the MDR is based on the existence and uniqueness of a relation between indentation depth and contact radius. In two-dimensional contact problems, the indentation depth is not defined unambiguously, thus another parametrization is needed. We show here that the Mossakovskii-Jäger procedure of representing a contact as a series of incremental indentations by flat-ended indenters can be carried out in two-dimensions as well. The only available parameter of this process is, however, the normal load (instead of indentation depth as in the case of threedimensional contacts). Using this idea, a complete solution is obtained for arbitrary symmetric two-dimensional contacts with a compact contact area. The solution includes both the relations of force and half-width of the contact and the stress distribution in the contact area. The procedure is generalized for adhesive contacts and is illustrated by solutions of a series of contact problems.     

Characterization of thermal transport across single-point contact between micro-wires

A contact transient electrothermal technique (CTET) is developed to characterize the thermal transport between one-dimensional conductive and nonconductive microscale wires that are in point contact. This technique is a significant advance from the transient electrothermal method that is used to characterize the thermophysical properties of individual one-dimensional micro-wires. A steady-state analytical solution and a transient numerical solution are used to independently determine the value for the thermal contact resistance between the wires at the contact point. The CTET technique is applied to measurement of the thermal contact resistance between crossed Pt wires (25.4 μm diameter) and the thermal contact resistance between a glass fiber (8.9 μm diameter) in contact with a Pt wire (25.4 μm diameter). For Pt wire contact, the thermal contact resistance increases from 8.94×10⁴ to 7.05×10⁵ K/W when the heating current changes from 20 to 50 mA. For the Pt/glass fiber contact, the thermal contact resistance is much larger (2.83×10⁶ K/W), mainly due to the smaller area at the contact point.     

Analysis of composite material interface crack face contact and friction effects using a new node-pairs contact algorithm

A new node-pairs contact algorithm is proposed to deal with a composite material or bi-material interface crack face contact and friction problem(e.g., resistant coating and thermal barrier coatings) subjected to complicated load conditions.To decrease the calculation scale and calculation errors, the local Lagrange multipliers are solved only on a pair of contact nodes using the Jacobi iteration method, and the constraint modification of the tangential multipliers are required. After the calculation of the present node-pairs Lagrange multiplier, it is turned to next contact node-pairs until all node-pairs have finished. Compared with an ordinary contact algorithm, the new local node-pairs contact algorithm is allowed a more precise element on the contact face without the stiffness matrix singularity. The stress intensity factors(SIFs) and the contact region of an infinite plate central crack are calculated and show good agreement with those in the literature. The contact zone near the crack tip as well as its influence on singularity of stress fields are studied. Furthermore, the frictional contacts are also considered and found to have a significant influence on the SIFs. The normalized mode-II stress intensity factors K?IIfor the friction coefficient decrease by 16% when f changes from 1 to 0.     

An electric contact method to measure contact state between stator and rotor in a traveling wave ultrasonic motor

Performances of ultrasonic motor (USM) depend considerably on contact state between stator and rotor. To measure the contact state in a traveling wave ultrasonic motor (TWUSM), a special test method is necessary. This paper develops a new method named electric contact method to measure contact state of stator and rotor in traveling wave type USM. The effects of pre-load and exciting voltage (amplitude) of stator on contact state between stator and rotor are studied with this method. By a simulating tester of friction properties of TWUSM, the variations of stalling torque and no-load speed against the pre-load and the exciting voltage have been measured. The relative contact length that describes the contact characteristic of stator and rotor is proposed. The relation between the properties of TWUSM and the contact state of stator and rotor are presented. Additionally, according to a theoretical contact model of stator and rotor in TWUSM, the contact lengths at given conditions are calculated and compared with the experimental results.