A New Transition Technique for the Combination of Meshfree Methods with other Numerical Methods from Macro- to Nano-Scales

Coupling the meshfree methods with othe numerical methods has good potential in computational mechanics. In this paper, to ensure the compatibility conditions for not only displacements but also its gradients, a new transition technique is proposed based on the penalty method and the transition particles. The bridge regions are used to connect the domains of different methods. The high-order compatibility conditions are satisfied through some regularly distributed transition particles. The new transition technique has several advantages: 1) through the use of the transition particles, the nodes (or atoms) in the transition region are totally independent, which will reduce significantly the cost for the node generation in the transition region; 2) the compatibility conditions in the transition region can be conveniently controlled through the adjustment of the number and distribution of the transition particles; 3) the compatibility of higher order derivatives can be easily satisfied. Several problems of fracture mechanics and multiscale analyses for solids are simulated by the newly developed coupled methods. Some key parameters used in the transition technique have been thoroughly studied and recommended. It has been demonstrated that the new transition technique is very accurate and stable, and it has very good potential to become a practical modeling and simulation tool for engineering

Surface effects on the dual-mode vibration of [110] silver nanowires with different cross-sections

Dual-mode vibration of nanowires has been reported experimentally through actuation of the nanowire at its resonance frequency, which is expected to open up a variety of new modalities for the NEMS that could operate in the nonlinear regime. In the present work, we utilize large scale molecular dynamics simulations to investigate the dual-mode vibration of Ag nanowires with triangular, rhombic and truncated rhombic cross-sections. By incorporating the generalized Young-Laplace equation into Euler-Bernoulli beam theory, the influence of surface effects on the dual-mode vibration is studied. Due to the different lattice spacing in principal axes of inertia of the {110} atomic layers, the NW is also modeled as a discrete system to reveal the influence from such specific atomic arrangement. It is found that the Ag NW will under a dual-mode vibration if the actuation direction is deviated from the two principal axes of inertia. The predictions of the two first mode natural frequencies by the classical beam model appear underestimated comparing with the MD results, which are found to be enhanced by the discrete model. Particularly, the predictions by the beam theory with the contribution of surface effects are uniformly larger than the classical beam model, which exhibit better agreement with MD results for larger cross-sectional size. However, for ultrathin NWs, current consideration of surface effects is still experiencing certain inaccuracy. In all, for all different cross-sections, the inclusion of surface effects is found to reduce the difference between the two first mode natural frequencies. This trend is observed consistent with MD results. This study provides a first comprehensive investigation on the dual-mode vibration of oriented Ag NWs, which is supposed to benefit the applications of NWs that acting as a resonating beam

Free convection in a triangular enclosure with fluid-saturated porous medium and internal heat generation

Unsteady natural convection inside a triangular cavity has been studied in this study. The cavity is filled with a saturated porous medium with non-isothermal left inclined wall while the bottom surface is isothermally heated and the right inclined surface is isothermally cooled. An internal heat generation is also considered which is dependent on the fluid temperature. The governing equations are solved numerically by finite volume method. The Prandtl number, Pr of the fluid is considered as 0.7 (air) while the aspect ratio and the Rayleigh number, Ra are considered as 0.5 and 105 respectively. The effect of heat generation on the fluid flow and heat transfer have been presented as a form of streamlines and isotherms. The rate of heat transfer through three surfaces of the enclosure is also presented

Modified beam theories for bending properties of nanowires considering surface/intrinsic effects and axial extension effect

Several studies of the surface effect on bending properties of a nanowire (NW) have been conducted. However, these analyses are mainly based on theoretical predictions, and there is seldom integration study in combination between theoretical predictions and simulation results. Thus, based on the molecular dynamics (MD) simulation and different modified beam theories, a comprehensive theoretical and numerical study for bending properties of nanowires considering surface/intrinsic stress effects and axial extension effect is conducted in this work. The discussion begins from the Euler-Bernoulli beam theory and Timoshenko beam theory augmented with surface effect. It is found that when the NW possesses a relatively small cross-sectional size, these two theories cannot accurately interpret the true surface effect. The incorporation of axial extension effect into Euler-Bernoulli beam theory provides a nonlinear solution that agrees with the nonlinear-elastic experimental and MD results. However, it is still found inaccurate when the NW cross-sectional size is relatively small. Such inaccuracy is also observed for the Euler-Bernoulli beam theory augmented with both contributions from surface effect and axial extension effect. A comprehensive model for completely considering influences from surface stress, intrinsic stress, and axial extension is then proposed, which leads to good agreement with MD simulation results. It is thus concluded that, for NWs with a relatively small cross-sectional size, a simple consideration of surface stress effect is inappropriate, and a comprehensive consideration of the intrinsic stress effect is required

An advanced meshless technique for large deformation analysis of metal forming

The large deformation analysis is one of major challenges in numerical modelling and simulation of metal forming. Although the finite element method (FEM) is a well-established method for modeling nonlinear problems, it often encounters difficulties for large deformation analyses due to the mesh distortion issues. Because no mesh is used, the meshless methods show very good potential for the large deformation analysis. In this paper, a local meshless formulation is developed for the large deformation analysis. The Radial Basis Function (RBF) is employed to construct the meshless shape functions, and the spline function with high continuity is used as the weight function in the construction of the local weak form. The discrete equations for large deformation of solids are obtained using the local weak-forms, RBF shape functions, and the total Lagrangian (TL) approach, which refers all variables to the initial (undeformed) configuration. This formulation requires no explicit mesh in computation and therefore fully avoids mesh distortion difficulties in the large deformation analysis of metal forming. Several example problems are presented to demonstrate the effectiveness of the developed meshless technique. It has been found that the developed meshless technique provides a superior performance to the conventional FEM in dealing with large deformation problems in metal forming

Graphene Helicoid: The Distinct Properties Promote Application of Graphene Related Materials in Thermal Management

The extremely high thermal conductivity of graphene has received great attention both in experiments and calculations. Obviously, new feature in thermal properties is of primary importance for application of graphene-based materials in thermal management in nanoscale. Here, we studied the thermal conductivity of graphene helicoid, a newly reported graphene-related nanostructure, using molecular dynamics simulation. Interestingly, in contrast to the converged cross-plane thermal conductivity in multi-layer graphene, axial thermal conductivity of graphene helicoid keeps increasing with thickness with a power law scaling relationship, which is a consequence of the divergent in-plane thermal conductivity of two-dimensional graphene. Moreover, the large overlap between adjacent layers in graphene helicoid also promotes higher thermal conductivity than multi-layer graphene. Furthermore, in the small strain regime (< 10%), compressive strain can effectively increase the thermal conductivity of graphene helicoid, while in the ultra large strain regime (~100% to 500%), tensile strain does not decrease the heat current, unlike that in generic solid-state materials. Our results reveal that the divergence in thermal conductivity, associated with the anomalous strain dependence and the unique structural flexibility, make graphene helicoid a new platform for studying fascinating phenomena of key relevance to the scientific understanding and technological applications of graphene-related materials.Comment: 7 figure

Torsional properties of bamboo-like structured Cu nanowires

Recently, researchers reported that nanowires (NWs) are often polycrystalline, which contain grain or twin boundaries that transect the whole NW normal to its axial direction into a bamboo like structure. In this work, large-scale molecular dynamics simulation is employed to investigate the torsional behaviours of bamboo-like structured Cu NWs. The existence of grain boundaries is found to induce a considerably large reduction to the critical angle, and the more of grain boundaries the less reduction appears, whereas, the presence of twin boundaries only results in a relatively smaller reduction to the critical angle. The introduction of grain boundaries reduces the torsional rigidity of the NW, whereas, the twin boundaries exert insignificant influence to the torsional rigidity. NWs with grain boundaries are inclined to produce a local HCP structure during loading, and the plastic deformation is usually evenly distributed along the axial axis of the NW. The plastic deformation of both perfect NW and NWs with twin boundaries is dominated by the nucleation and propagation of parallel intrinsic stacking faults. This study will enrich the current understanding of the mechanical properties of NWs, which will eventually shed lights on their applications

Natural convection heat transfer in a baffled triangular enclosure

To reduce the natural convection heat loss from enclosures many researchers used convection suppression devices in the past. In this study a single baffle is used under the top tip to investigate numerically the natural convection heat loss in an attic shaped enclosure which is a cost effective approach. The case considered here is one inclined wall of the enclosure is uniformly heated while the other inclined wall is uniformly cooled with adiabatic bottom wall. The finite volume method has been used to discretize the governing equations, with the QUICK scheme approximating the advection term. The diffusion terms are discretized using central-differencing with second order accuracy. A wide range of governing parameters are studied (Rayleigh number, aspect ratio, baffle length etc.). It is observed that the heat transfer due to natural convection in the enclosure reduces when the baffle length is increased. Effects of other parameters on heat transfer and flow field are described in this study

Thermal conduction of one-dimensional carbon nanomaterials and nanoarchitectures

This review summarizes the current studies of the thermal transport properties of one-dimensional (1D) carbon nanomaterials and nanoarchitectures. Considering different hybridization states of carbon, emphases are laid on a variety of 1D carbon nanomaterials, such as diamond nanothreads, penta-graphene nanotubes, supernanotubes, and carbyne. Based on experimental measurements and simulation/calculation results, we discuss the dependence of the thermal conductivity of these 1D carbon nanomaterials on a wide range of factors, including the size effect, temperature influence, strain effect, and others. This review provides an overall understanding of the thermal transport properties of 1D carbon nanomaterials and nanoarchitectures, which paves the way for effective thermal management at nanoscale.Comment: 10 pages, 10 figure

Accurate Multi-physics Numerical Analysis of Particle Preconcentration Based on Ion Concentration Polarization

This paper studies mechanism of preconcentration of charged particles in a straight micro-channel embedded with permselective membranes, by numerically solving coupled transport equations of ions, charged particles and solvent fluid without any simplifying assumptions. It is demonstrated that trapping and preconcentration of charged particles are determined by the interplay between drag force from the electroosmotic fluid flow and the electrophoretic force applied trough the electric field. Several insightful characteristics are revealed, including the diverse dynamics of co-ions and counter ions, replacement of co-ions by focused particles, lowered ion concentrations in particle enriched zone, and enhanced electroosmotic pumping effect etc. Conditions for particles that may be concentrated are identified in terms of charges, sizes and electrophoretic mobilities of particles and co-ions. Dependences of enrichment factor on cross-membrane voltage, initial particle concentration and buffer ion concentrations are analyzed and the underlying reasons are elaborated. Finally, post priori a condition for validity of decoupled simulation model is given based on charges carried by focused charge particles and that by buffer co-ions. These results provide important guidance in the design and optimization of nanofluidic preconcentration and other related devices.Comment: 18 pages, 11 firgure