Showing papers by "YuanTong Gu published in 2012"

A fundamental numerical and theoretical study for the vibrational properties of nanowires

Abstract: Based on the molecular dynamics (MD) simulation and the classical Euler-Bernoulli beam theory, a fundamental study of the vibrational performance of the Ag nanowire (NW) is carried out. A comprehensive analysis of the quality (Q)-factor, natural frequency, beat vibration, as well as high vibration mode is presented. Two excitation approaches, i.e., velocity excitation and displacement excitation, have been successfully implemented to achieve the vibration of NWs. Upon these two kinds of excitations, consistent results are obtained, i.e., the increase of the initial excitation amplitude will lead to a decrease to the Q-factor, and moderate plastic deformation could increase the first natural frequency. Meanwhile, the beat vibration driven by a single relatively large excitation or two uniform excitations in both two lateral directions is observed. It is concluded that the nonlinear changing trend of external energy magnitude does not necessarily mean a non-constant Q-factor. In particular, the first order natural frequency of the Ag NW is observed to decrease with the increase of temperature. Furthermore, comparing with the predictions by Euler-Bernoulli beam theory, the MD simulation provides a larger and smaller first vibration frequencies for the clamped-clamped and clamped-free thin Ag NWs, respectively. Additionally, for thin NWs, the first order natural frequency exhibits a parabolic relationship with the excitation magnitudes. The frequencies of the higher vibration modes tend to be low in comparison to Euler-Bernoulli beam theory predictions. A combined initial excitation is proposed which is capable to drive the NW under a multi-mode vibration and arrows the coexistence of all the following low vibration modes. This work sheds lights on the better understanding of the mechanical properties of NWs and benefits the increasing utilities of NWs in diverse nano-electronic devices.

Theoretical and numerical investigation of bending properties of Cu nanowires

Abstract: Based on the AFM-bending experiments, a molecular dynamics (MD) bending simulation model is established which could accurately account for the full spectrum of the mechanical properties of NWs in a double clamped beam configuration, ranging from elasticity to plasticity and failure. It is found that, loading rate exerts significant influence to the mechanical behaviours of nanowires (NWs). Specifically, a loading rate lower than 10 m/s is found reasonable for a homogonous bending deformation. Both loading rate and potential between the tip and the NW are found to play an important role in the adhesive phenomenon. The force versus displacement (F-d) curve from MD simulation is highly consistent in shapes with that from experiments. Symmetrical F-d curves during loading and unloading processes are observed, which reveal the linear-elastic and non-elastic bending deformation of NWs. The typical bending induced tensile-compressive features are observed. Meanwhile, the simulation results are excellently fitted by the classical Euler-Bernoulli beam theory with axial effect. It is concluded that, axial tensile force becomes crucial in bending deformation when the beam size is down to nanoscale for double clamped NWs. In addition, we find shorter NWs will have an earlier yielding and a larger yielding force. Mechanical properties (Young’s modulus & yield strength) obtained from both bending and tensile deformations are found comparable with each other. Specifically, the modulus is essentially similar under these two loading methods, while the yield strength during bending is observed larger than that during tension.

Beat phenomena in metal nanowires, and their implications for resonance-based elastic property measurements

Abstract: The elastic properties of 1D nanostructures such as nanowires are often measured experimentally through actuation of nanowires at their resonance frequency, and then relating the resonance frequency to the elastic stiffness using the elementary beam theory. In the present work, we utilize large scale molecular dynamics simulations to report a novel beat phenomenon in [110] oriented Ag nanowires. The beat phenomenon is found to arise from the asymmetry of the lattice spacing in the orthogonal elementary directions of [110] nanowires, i.e. the [10] and [001] directions, which results in two different principal moments of inertia. Because of this, actuations imposed along any other direction are found to decompose into two orthogonal vibrational components based on the actuation angle relative to these two elementary directions, with this phenomenon being generalizable to 〈110〉 FCC nanowires of different materials (Cu, Au, Ni, Pd and Pt). The beat phenomenon is explained using a discrete moment of inertia model based on the hard sphere assumption; the model is utilized to show that surface effects enhance the beat phenomenon, while effects are reduced with increasing nanowire cross-sectional size or aspect ratio. Most importantly, due to the existence of the beat phenomena, we demonstrate that in resonance experiments only a single frequency component is expected to be observed, particularly when the damping ratio is relatively large or very small. Furthermore, for a large range of actuation angles, the lower frequency is more likely to be detected than the higher one, which implies that experimental predictions of the Young's modulus obtained from resonance may in fact be under-predictions. The present study therefore has significant implications for experimental interpretations of the Young's modulus as obtained via resonance testing.

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

Abstract: 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.

A coupled SPH-DEM model for fluid and solid mechanics of apple parenchyma cells during drying

Abstract: A coupled SPH-DEM based two-dimensional (2-D) micro-scale single cell model is developed to predict basic cell-level shrinkage effects of apple parenchyma cells during air drying. In this newly developed drying model, Smoothed Particle Hydrodynamics (SPH) is used to model the low Reynolds Number fluid motions of the cell protoplasm, and a Discrete Element Method (DEM) is employed to simulate the polymer like cell wall. Simulations results reasonably agree with published experimental drying results on cellular shrinkage properties such as cellular area, diameter and perimeter. These preliminary results indicate that the model is effective for the modelling and simulation of apple parenchyma cells during air drying.

Surface effects on the dual-mode vibration of 〈1 1 0〉 silver nanowires with different cross-sections

Abstract: Dual-mode vibration of nanowires (NWs) has been reported experimentally through actuation of the NW at its resonance frequency, which is expected to open up a variety of new modalities for nanoelectromechanical systems that could operate in the nonlinear regime. In this work, we utilize large-scale molecular dynamics simulations to investigate the dual-mode vibration of ?1?1?0? Ag NWs with triangular, rhombic and truncated rhombic cross-sections. By incorporating the generalized Young?Laplace equation into the Euler?Bernoulli beam theory, the influence of surface effects on the dual-mode vibration is studied. Due to the different lattice spacings in the principal axes of inertia of the {1?1?0} atomic layers, the NW is also modelled as a discrete system to reveal the influence from such a specific atomic arrangement. It is found that the ?1?1?0? Ag NW will be under a dual-mode vibration if the actuation direction deviates from the two principal axes of inertia. The predictions of the two first mode natural frequencies by the classical beam model appear underestimated compared 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 a larger cross-sectional size. However, for ultrathin NWs, current consideration of surface effects still experiences 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 to be consistent with MD results. This study provides a first comprehensive investigation on the dual-mode vibration of ?1?1?0? oriented Ag NWs, which is supposed to benefit the applications of NWs that act as a resonating beam.

Orthopedic bone plates: Evolution in Structure, Implementation technique and biomaterial

Abstract: With many important developments over the last century, nowadays orthopedic bone plate now excels over other types of internal fixators in bone fracture fixation. The developments involve the design, material and implementation techniques of the plates. This paper aims to review the evolution in implementation technique and biomaterial of the orthopedic bone plates. Plates were initially used to fix the underlying bones firmly. Accordingly, Compression plate (CP), Dynamic compression plate (DCP), Limited contact dynamic compression plate (LC-DCP) and Point contact fixator (PC-Fix) were developed. Later, the implementation approach was changed to locking, and the Less Invasive Stabilization System (LISS) plate was introduced as a result. Finally, a combination of both of these approaches has been used by introducing the Locking Compression Plate (LCP). Currently, precontoured LCPs are mainly used for bone fracture fixation. In parallel with structure and implementation techniques, numerous advances have occurred in biomaterials of the plates. Titanium and stainless steel alloys are now the most common biomaterials in production of orthopedic bone plates. However, regarding the biocompatibility, bioactivity and biodegradability characteristics of Mg alloys, Ta alloys, SMAs, carbon fiber composites and bioceramics, these materials are considered as potentially suitable for plates. However, due to poor mechanical properties, they have very limited applications. Therefore, further studies are required in future to solve these problems and make them feasible for heavy-duty bone plates.

Impact & Energy Absorption of Road Safety Barriers by Coupled SPH/FEM

Abstract: Road safety barriers are used to minimise the severity of road accidents and protect lives and property. There are several types of barrier in use today. This paper reports the initial phase of research carried out to study the impact response of portable water-filled barrier (PWFB) which has the potential to absorb impact energy and hence provide crash mitigation under low to moderate speeds. Current research on the impact and energy absorption capacity of water-filled road safety barriers is limited due to the complexity of fluid-structure interaction under dynamic impact. In this paper, a novel fluid-structure interaction method is developed based on the combination of Smooth Particle Hydrodynamics (SPH) and Finite Element Method (FEM). The sloshing phenomenon of water inside a PWFB is investigated to explore the energy absorption capacity of water under dynamic impact. It was found that water plays an important role in energy absorption. The coupling analysis developed in this paper will provide a pla...

Study of mechanical deformations on tough skinned vegetables during mechanical peeling process (A Review)

Abstract: Peeling is an essential phase of post harvesting and processing industry; however undesirable processing losses are unavoidable and always have been the main concern of food processing sector. There are three methods of peeling fruits and vegetables including mechanical, chemical and thermal, depending on the class and type of fruit. By comparison, the mechanical methods are the most preferred; mechanical peeling methods do not create any harmful effects on the tissue and they keep edible portions of produce fresh. The main disadvantage of mechanical peeling is the rate of material loss and deformations. Obviously reducing material losses and increasing the quality of the process has a direct effect on the whole efficiency of food processing industry, this needs more study on technological aspects of these operations. In order to enhance the effectiveness of food industrial practices it is essential to have a clear understanding of material properties and behaviour of tissues under industrial processes. This paper presents the scheme of research that seeks to examine tissue damage of tough skinned vegetables under mechanical peeling process by developing a novel FE model of the process using explicit dynamic finite element analysis approach. A computer model of mechanical peeling process will be developed in this study to stimulate the energy consumption and stress strain interactions of cutter and tissue. The available Finite Element softwares and methods will be applied to establish the model. Improving the knowledge of interactions and involves variables in food operation particularly in peeling process is the main objectives of the proposed study. Understanding of these interrelationships will help researchers and designer of food processing equipments to develop new and more efficient technologies. Presented work intends to review available literature and previous works has been done in this area of research and identify current gap in modelling and simulation of food processes.

Anomalous sub-diffusion equations by the meshless collocation method

Abstract: Recently, many new applications in engineering and science are governed by a series of fractional ordinary differential equations or fractional partial differential equations (FPDEs), in which the differential order is with a fractional order. The anomalous sub-diffusion equation (ASDE) is a typical FPDE. The current dominant numerical method for modelling ASDE is finite difference method, which is based on a pre-defined grid leading to inherited issues or shortcomings. Because of its distinguished advantages, the meshless method has good potential in simulation of ASDE. This paper aims to develop an implicit meshless collocation technique based on the moving least squares (MLS) approximation for numerical simulation of ASDE. The discrete system of equations is obtained by using the MLS meshless shape functions and the meshless collocation formulation. The stability and convergence of this meshless approach related to the time discretisation are investigated theoretically and numerically. The numerical examples with regular and irregular nodal distributions are used to validate and investigate accuracy and efficiency of the newly developed meshless formulation. It is concluded that the present meshless formulation is very effective for the modelling and simulation of ASDEs.

Numerical simulation of red blood cells' deformation using SPH method

Abstract: A numerical simulation method for the Red Blood Cells’ (RBC) deformation is presented in this study. The two-dimensional RBC membrane is modeled by the spring network, where the elastic stretch/compression energy and the bending energy are considered with the constraint of constant RBC surface area. Smoothed Particle Hydrodynamics (SPH) method is used to solve the NavierStokes equation coupled with the Plasma-RBC membrane and Cytoplasm- RBC membrane interaction. To verify the method, the motion of a single RBC is simulated in Poiseuille flow and compared with the results reported earlier. Typical motion and deformation mechanism of the RBC is observed.

Md investigations for mechanical properties of copper nanowires with and without surface defects

Abstract: Based on the molecular dynamics (MD) method, the single-crystalline copper nanowire with different surface defects is investigated through tension simulation. For comparison, the MD tension simulations of perfect nanowire are first carried out under different temperatures, strain rates, and sizes. It has concluded that the surface–volume ratio significantly affects the mechanical properties of nanowire. The surface defects on nanowires are then systematically studied in considering different defect orientation and distribution. It is found that the Young's modulus is the insensitive of surface defects. However, the yield strength and yield point show a significant decrease due to the different defects. Different defects are observed to serve as a dislocation source.

Scaling for the Prandtl number of the natural convection boundary layer of an inclined flat plate under uniform surface heat flux

Abstract: An improved scaling analysis and direct numerical simulations are performed for the unsteady natural convection boundary layer adjacent to a downward facing inclined plate with uniform heat flux. The development of the thermal or viscous boundary layers may be classified into three distinct stages: a start-up stage, a transitional stage and a steady stage, which can be clearly identified in the analytical as well as the numerical results. Previous scaling shows that the existing scaling laws of the boundary layer thickness, velocity and steady state time scale for the natural convection flow on a heated plate of uniform heat flux provide a very poor prediction of the Prandtl number dependency of the flow. However, those scalings perform very well with Rayleigh number and aspect ratio dependency. In this study, a modified Prandtl number scaling is developed using a triple layer integral approach for Pr > 1. It is seen that in comparison to the direct numerical simulations, the modified scaling performs considerably better than the previous scaling.

A Coupled SPH/FEM Analysis of Portable Water Filled Barriers

Abstract: Portable water filled barriers (PWFB) are semi-rigid roadside barriers which have the potential to display good crash attenuation characteristics at low and moderate impact speeds. The traditional mesh based numerical methods alone fail to simulate this type of impact with precision, stability and efficiency. This paper proposes to develop an advanced simulation model based on the combination of Smoothed Particles Hydrodynamics (SPH), a meshless method, and finite element method (FEM) for fluid-structure analysis using the commercially available software package LS-Dyna. The interaction between SPH particles and FEA elements is studied in this paper. Two methods of element setup at the element boundary were investigated. The response of the impacted barrier and fluid inside were analysed and compared. The system response and lagging were observed and reported in this paper. It was demonstrated that coupled SPH/FEM can be used in full scale PWFB modelling application. This will aid the research in determining the best initial setup to couple FEA and SPH in road safety barrier for impact response and safety analysis in the future.

Numerical simulation of red blood cells' motion: a review

Abstract: The micro-circulation of blood plays an important role in human body by providing oxygen and nutrients to the cells and removing carbon dioxide and wastes from the cells. This process is greatly affected by the rheological properties of the Red Blood Cells (RBCs). Changes in the rheological properties of the RBCs are caused by certain human diseases such as malaria and sickle cell diseases. Therefore it is important to understand the motion and deformation mechanism of RBCs in order to diagnose and treat this kind of diseases. Although, many methods have been developed to explore the behavior of the RBCs in micro-channels, they could not explain the deformation mechanism of the RBCs properly. Recently developed Particle Methods are employed to explain the RBCs’ behavior in micro-channels more comprehensively. The main objective of this study is to critically analyze the present methods, used to model the RBC behavior in micro-channels, in order to develop a computationally efficient particle based model to describe the complete behavior of the RBCs in micro-channels accurately and comprehensively

Studies on Bending Limitations for the Optimal Fit of Orthopaedic Bone Plates

Abstract: Distal tibial fractures are now commonly treated via intermedullary plate fixation due to higher rates of union and lower rates of postoperative complications. However, patient specific bone morphology demands manual deformation of the plate to ensure appropriate fit along the bone contours, and depending on the material of the plate, different outcomes have been reported along with postoperative complications. A comparative analysis of Stainless Steel 316L and Ti-6Al-4V alloys was carried to estimate the safe bending limit for appropriate fits. The results from the ANSYS FEA simulations were validated with experiments based on ASTM F382-99. It is found that SS316L is better suited for large deformations (up to 16˚ in proximal tip and 7.5˚ in distal end) and Ti for smaller deformation contours (up to 3˚ in proximal tip and 1.8˚ in distal end). The results of this study have profound implications for the choice of plates based on preliminary radiographical fracture examinations to ensure better fixation and higher rates of union of distal tibial fractures.

Natural convection from a vertical plate embedded in a stratified medium with uniform heat source

Abstract: Natural convection flow from an isothermal vertical plate with uniform heat source embedded in a stratified medium has been discussed in this paper. The resulting momentum and energy equations of boundary layer approximation are made non-similar by introducing the usual non-similarity transformations. Numerical solutions of these equations are obtained by an implicit finite difference method for a wide range of the stratification parameter, X. The solutions are also obtained for different values of pertinent parameters, namely, the Prandtl number, Pr and the heat generation or absorption parameter, λ and are expressed in terms of the local skin-friction and local heat transfer, which are shown in the graphical form. Effect of heat generation or absorption on the streamlines and isotherms are also shown graphically for different values of λ.

Effective shear modulus approach for two dimensional solids and plate bending problems by meshless point collocation method

Abstract: For the analysis of material nonlinearity, an effective shear modulus approach based on the strain control method is proposed in this paper by using point collocation method. Hencky's total deformation theory is used to evaluate the effective shear modulus, Young's modulus and Poisson's ratio, which are treated as spatial field variables. These effective properties are obtained by the strain controlled projection method in an iterative manner. To evaluate the second order derivatives of shape function at the field point, the radial basis function (RBF) in the local support domain is used. Several numerical examples are presented to demonstrate the efficiency and accuracy of the proposed method and comparisons have been made with analytical solutions and the finite element method (ABAQUS).

A Particle-Based Micromechanics Approach to Simulate Structural Changes of Plant Cells During Drying

Abstract: This paper is concerned with applying a particle-based approach to simulate the micro-level cellular structural changes of plant cells during drying. The objective of the investigation was to relate the micro-level structural properties such as cell area, diameter and perimeter to the change of moisture content of the cell. Model assumes a simplified cell which consists of two basic components, cell wall and cell fluid. The cell fluid is assumed to be a Newtonian fluid with higher viscosity compared to water and cell wall is assumed to be a visco-elastic solid boundary located around the cell fluid. Cell fluid is modelled with Smoothed Particle Hydrodynamics (SPH) technique and for the cell wall; a Discrete Element Method (DEM) is used. The developed model is two-dimensional, but accounts for three-dimensional physical properties of real plant cells. Drying phenomena is simulated as fluid mass reductions and the model is used to predict the above mentioned structural properties as a function of cell fluid mass. Model predictions are found to be in fairly good agreement with experimental data in literature and the particle-based approach is demonstrated to be suitable for numerical studies of drying related structural deformations. Also a sensitivity analysis is included to demonstrate the influence of key model parameters to model predictions.

Collective Dynamics and Control of a 3-D Small-World Network with Time Delays

Abstract: The paper presents a detailed analysis on the collective dynamics and delayed state feedback control of a three-dimensional delayed small-world network. The trivial equilibrium of the model is first investigated, showing that the uncontrolled model exhibits complicated unbounded behavior. Then three control strategies, namely a position feedback control, a velocity feedback control, and a hybrid control combined velocity with acceleration feedback, are then introduced to stabilize this unstable system. It is shown in these three control schemes that only the hybrid control can easily stabilize the 3-D network system. And with properly chosen delay and gain in the delayed feedback path, the hybrid controlled model may have stable equilibrium, or periodic solutions resulting from the Hopf bifurcation, or complex stranger attractor from the period-doubling bifurcation. Moreover, the direction of Hopf bifurcation and stability of the bifurcation periodic solutions are analyzed. The results are further extended to any "d" dimensional network. It shows that to stabilize a "d" dimensional delayed small-world network, at least a "d – 1" order completed differential feedback is needed. This work provides a constructive suggestion for the high dimensional delayed systems.

Hardness of silicon nitride thin films characterised by nanoindentation and nanoscratch deconvolution methods

Abstract: Plasma enhanced chemical vapour deposition silicon nitride thin films are widely used in microelectromechanical system devices as structural materials because the mechanical properties of those films can be tailored by adjusting deposition conditions. However, accurate measurement of the mechanical properties, such as hardness, of films with thicknesses at nanometric scale is challenging. In the present study, the hardness of the silicon nitride films deposited on silicon substrate under different deposit conditions was characterised using nanoindentation and nanoscratch deconvolution methods. The hardness values obtained from the two methods were compared. The effect of substrate on the measured results was discussed.

Numerical investigation of mechanical properties of nanowires : a review

Abstract: Nanowires (NWs) have attracted intensive researches owing to the broad applications that arise from their remarkable properties. Over the last decade, immense numerical studies have been conducted for the numerical investigation of mechanical properties of NWs. Among these numerical simulations, the molecular dynamics (MD) plays a key role. Herein we present a brief review on the current state of the MD investigation of nanowires. Emphasis will be placed on the FCC metal NWs, especially the Cu NWs. MD investigations of perfect NWs’ mechanical properties under different deformation conditions including tension, compression, torsion and bending are firstly revisited. Following in succession, the studies for defected NWs including the defects of twin boundaries (TBs) and pre-existing defects are discussed. The different deformation mechanism incurred by the presentation of defects is explored and discussed. This review reveals that the numerical simulation is an important tool to investigate the properties of NWs. However, the substantial gaps between the experimental measurements and MD results suggest the urgent need of multi-scale simulation technique.

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

Abstract: Unsteady natural convection inside a triangular cavity is studied The cavity is filled with a saturated porous medium has a non-isothermal left inclined wall while the bottom surface is isothermally heated and the right inclined surface is isothermally cooled Internal heat generation is also considered, which is dependent on the fluid temperature The governing equations are solved numerically by the finite volume method The Prandtl number of the fluid is chosen to be~$07$ (air) whereas the aspect ratio and the Rayleigh number are~$05$ and~$10^5$, respectively The effect of heat generation on the fluid flow and heat transfer is presented in terms of streamlines and isotherms The rate of heat transfer through the three surfaces of the enclosure is also presented References Ostrach, S, Natural convection in enclosures, in: JP Hartnett, H Irving (Eds), Adv Heat Transfer , 8 (1972) 161--227 doi:101016/S0065-2717(08)70039-X S Ostrach, Natural convection in enclosures, ASME J Heat Transfer , 110 (1988) 1175--1190 doi:101115/13250619 G Shiralkar, C Tien, A Numerical study of the effect of a vertical temperature difference imposed on a horizontal enclosure, Numer Heat Transfer 5 (1982) 185--197 doi:101080/10407798208547013 M November, M W Nansteel, Natural convection in a rectangular enclosure heated from below and cooled along one surface, Internat J Heat Mass Transfer 30 (1987) 2433--2440 doi:101016/0017-9310(87)90233-X J D Nicolas, M W Nansteel, Natural convection in a rectangular enclosure with partial heating on the lower surface; experimental results, Int J Heat Mass Transfer 36 (1993) 4067--4071 doi:101016/0017-9310(93)90156-Z M M Ganzarolli, L F Milanez, Natural convection in rectangular enclosures heated from below and symmetrically cooled from the sides, Int J Heat Mass Transfer 38 (1995) 1063--1073 doi:101016/0017-9310(94)00217-J K Velusamy, T Sundarajan, K N Seetharamn, Laminar natural convection in an enclosure formed by non-isothermal walls, in: Proc 11th Internat Conf Heat Transfer , Korea, 3 (1998) 459--464 M A Hossain, M Wilson, Natural convection flow in a fluid-saturated porous medium enclosed by non-isothermal walls with heat generation, Int J Therm Sci , 41 (2002) 447--454 doi:101016/S1290-0729(02)01337-6 T Basak, S Roy, C Thirumalesha, Finite element analysis of natural convection in a triangular enclosure: Effects of various thermal boundary conditions, Chemical Engineering Science , 62 (2007) 2623--2640 doi:101016/jces200701053 P Cheng, Heat transfer in geothermal systems, Adv Heat Transfer 14 (1979) 1--105 doi:101016/S0065-2717(08)70085-6 S C Saha, M M K Khan, A review of natural convection and heat transfer in attic-shaped space, Energy and Buildings , 43 (2011) 2564--2571 doi:101016/jenbuild201106020 A Bejan, D Poulikakos, Natural convection in an attic shaped space filled with porous material, J Heat Transfer , 104 (1982) 241--247 doi:101115/13245079 Y Varol, H F Oztop, A Varol, Free convection in porous media filled right-angle triangular enclosures, Int Comm Heat Mass Trans , 33 (2006) 1190--1197 doi:101016/jicheatmasstransfer200608008 Y Varol, H F Oztop, A Varol, Effects of thin fin on natural convection in porous triangular enclosures, Int J Therm Sci , 46 (2007) 1033--1045 doi:101016/jijthermalsci200611001 Y Varol, H F Oztop, A Varol, Natural convection in porous triangular enclosures with a solid adiabatic fin attached to the horizontal wall, Int Comm Heat Mass Trans , \protect \unhbox \voidb@x \hbox {34} (2007) 19--27 doi:101016/jicheatmasstransfer200609004, S C Saha, Y T Gu, M M Molla, S Siddiqa, M A Hossain, Natural convection from a vertical plate embedded in a stratified medium with uniform heat source, Desalination and Water Treatment , 44 (2012) 7--14 doi:101080/194439942012691696

A fundamental numerical and theoretical study for the vibrational properties of nanowires

Abstract: Based on the molecular dynamics (MD) simulation and the classical Euler-Bernoulli beam theory, a fundamental study of the vibrational performance of the Ag nanowire (NW) is carried out. A comprehensive analysis of the quality (Q)-factor, natural frequency, beat vibration, as well as high vibration mode is presented. Two excitation approaches, i.e., velocity excitation and displacement excitation, have been successfully implemented to achieve the vibration of NWs. Upon these two kinds of excitations, consistent results are obtained, i.e., the increase of the initial excitation amplitude will lead to a decrease to the Q-factor, and moderate plastic deformation could increase the first natural frequency. Meanwhile, the beat vibration driven by a single relative large excitation or two uniform excitations in both two lateral directions is observed. It is concluded that the nonlinear changing trend of external energy magnitude does not necessary mean a non-constant Q-factor. In particular, the first order natural frequency of the Ag NW is observed to decrease with the increase of temperature. Furthermore, comparing with the predictions by Euler-Bernoulli beam theory, the MD simulation provides a larger and smaller first vibration frequency for the clamped-clamped and clamped-free thin Ag NWs, respectively. Additionally, for thin NWs, the first order natural frequency exhibits a parabolic relationship with the excitation magnitudes. The frequencies of the higher vibration modes tend to be low in comparison to Euler-Bernoulli beam theory predictions. A combined initial excitation is proposed which is capable to drive the NW under a multi-modes vibration and arrows the coexistence of all the following low vibration modes. This work sheds lights on the better understanding of the mechanical properties of NWs, and benefits the increasing utilities of NWs in diverse nano-electronic devices.

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

Abstract: 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.

Influence of grain boundaries on the vibrational properties of silver nanowires

Abstract: Metal and semiconductor nanowires (NWs) have been widely employed as the building blocks of the nanoelectromechanical systems, which usually acted a resonant beam. Recent researches reported that nanowires are often polycrystalline, which contains grain boundaries (GBs) that transect the whole nanowire into a bamboo like structure. Based on the larger-scale molecular dynamics (MD) simulations, a comprehensive investigation of the influence from grain boundaries on the vibrational properties of doubly clamped Ag NWs is conducted. It is found that, the presence of grain boundary will result in significant energy dissipation during the resonance of polycrystalline NWs, which leads a great deterioration to the quality factor. Further investigation reveals that the energy dissipation is originated from the plastic deformation of polycrystalline NWs in the form of the nucleation of partial dislocations or the generation of micro stacking faults around the GBs and the micro stacking faults is found to keep almost intact during the whole vibration process. Moreover, it is observed that the closer of the grain boundary getting to the regions with the highest strain state, the more energy dissipation will be resulted from the plastic deformation. In addition, either the increase of the number of grain boundaries or the decrease of the distance between the grain boundary and the highest strain state region is observed to induce a lower first resonance frequency. This work sheds lights on the better understanding of the mechanical properties of polycrystalline NWs, which benefits the increasing utilities of NWs in diverse nano-electronic devices.