A Local Region Molecular Dynamics Simulation Method for Nanoscale Sliding Contacts

Computational e ciency and accuracy always conflict with each other in molecular dynamics(MD) simulations. How to enhance the computational e ciency and keep accuracy at the same time is concerned by each corresponding researcher. However, most of the current studies focus on MD algorithms, and if the scale of MD model could be reduced, the algorithms would be more meaningful. A local region molecular dynamics(LRMD) simulation method which can meet these two factors concurrently in nanoscale sliding contacts is developed in this paper. Full MD simulation is used to simulate indentation process before sliding. A criterion called contribution of displacement is presented, which is used to determine the e ective local region in the MD model after indentation. By using the local region, nanoscale sliding contact between a rigid cylindrical tip and an elastic substrate is investigated. Two two?dimensional MD models are presented, and the friction forces from LRMD simulations agree well with that from full MD simulations, which testifies the e ectiveness of the LRMD simulation method for two?dimensional cases. A three?dimensional MD model for sliding contacts is developed then to show the validity of the LRMD simulation method further. Finally, a discussion is carried out by the principles of tribology. In the discussion, two two?dimensional full MD models are used to simulate the nanoscale sliding contact problems. The results indicate that original smaller model will induce higher equivalent scratching depth, and then results in higher friction forces, which will help to explain the mechanism how the LRMD simulation method works. This method can be used to reduce the scale of MD model in large scale simulations, and it will enhance the computational e ciency without losing accuracy during the simula?tion of nanoscale sliding contacts.

Radiation heat transfer model for complex superalloy turbine blade in directional solidification process based on finite element method

For the sake of a more accurate shell boundary and calculation of radiation heat transfer in the Directional Solidification(DS) process, a radiation heat transfer model based on the Finite Element Method(FEM)is developed in this study. Key technologies, such as distinguishing boundaries automatically, local matrix and lumped heat capacity matrix, are also stated. In order to analyze the effect of withdrawing rate on DS process,the solidification processes of a complex superalloy turbine blade in the High Rate Solidification(HRS) process with different withdrawing rates are simulated; and by comparing the simulation results, it is found that the most suitable withdrawing rate is determined to be 5.0 mm·min^(-1). Finally, the accuracy and reliability of the radiation heat transfer model are verified, because of the accordance of simulation results with practical process.

Stability analysis of slope in strain-softening soils using local arc-length solution scheme

Soils with strain-softening behavior — manifesting as a reduction of strength with increasing plastic strain — are commonly found in the natural environment. For slopes in these soils,a progressive failure mechanism can occur due to a reduction of strength with increasing strain. Finite element method based numerical approaches have been widely performed for simulating such failure mechanism,owning to their ability for tracing the formation and development of the localized shear strain. However,the reliability of the currently used approaches are often affected by poor convergence or significant mesh-dependency,and their applicability is limited by the use of complicated soil models. This paper aims to overcome these limitations by developing a finite element approach using a local arc-length controlled iterative algorithm as the solution strategy. In the proposed finite element approach,the soils are simulated with an elastoplastic constitutive model in conjunction with the Mohr-Coulomb yield function. The strain-softening behavior is represented by a piece-wise linearrelationship between the Mohr-Coulomb strength parameters and the deviatoric plastic strain. To assess the reliability of the proposed finite element approach,comparisons of the numerical solutions obtained by different finite element methods and meshes with various qualities are presented. Moreover,a landslide triggered by excavation in a real expressway construction project is analyzed by the presented finite element approach to demonstrate its applicability for practical engineering problems.

Local melting mechanism and its effects on mechanical properties of friction spot welded joint for Al-Zn-Mg-Cu alloy

Local melting and the eutectic film and liquation crack formation mechanisms during friction spot weld- ing （FSpW） of Al-Zn-Mg-Cu alloy were studied by both experiment and finite element simulation. Their effects on mechanical properties of the joint were examined. When the welding heat input was high, the peak temperature in the stir zone was higher than the incipient melting temperature of the Al-Zn-Mg-Cu alloy. This resulted in local melting along the grain boundaries in this zone. In the retreating stage of the welding process, the formed liquid phase was driven by the flowing plastic material and redistributed as a ＂U-shaped＂ line in the stir zone. In the following cooling stage, this liquid phase transformed into eutectic films and liquation cracks. As a result, a new characteristic of＂U＂ line that consisted of eutectic films and liquation cracks is formed in the FSpWjoin. This ＂U＂ line was located in the high stress region when the FSpW joint was loaded, thus it was adverse to the mechanical properties of the FSpW joint. During tensile shear tests, the ＂U＂ line became a preferred crack propagation path, resulting in the occurrence of brittle fracture.