Atomistic Simulations of the Mechanical Behavior of Fivefold Twinned Nanowires

Atomistic simulations are used to investigate the mechanical behavior of metal nanowire with fivefold twinned structure. The twinned nanowires were reported in recent experiments [B. Wu et al., Nano Lett. 6, 468 (2006)]. In the present paper, we find that the yield strength of the fivefold twinned Cu nanowire is 1.3 GPa higher than that of the face-centered-cubic (fcc) < 110 > single crystalline Cu nanowire without fivefold twinned structure, and the microstructure-hardened mechanism is primarily due to the twinned boundaries which act as the barriers for the dislocation emission and propagation. However, we also find that the fivefold twinned Cu nanowire has lower ductility than that of fcc < 110 > single crystalline Cu nanowire without the twinned structure, and this is mainly attributed to the scarcity and low mobility of dislocations. In addition, in our simulations the effect of preexisting stacking faults and dislocations on strength of the fivefold twinned nanowires is investigated.

Reliable Validation Based on Optical Flow Visualization for CFD Simulations

A reliable validation based on the optical flow visualization for numerical simulations of complex flowfields is addressed in this paper. Several test cases, including two-dimensional, axisymmetric and three-dimensional flowfields, were presented to demonstrate the effectiveness of the validation and gain credibility of numerical solutions of complex flowfields. In the validation, images of these flowfields were constructed from numerical results based on the principle of the optical flow visualization, and compared directly with experimental interferograms. Because both experimental and numerical results are of identical physical representation, the agreement between them can be evaluated effectively by examining flow structures as well as checking discrepancies in density. The study shows that the reliable validation can be achieved by using the direct comparison between numerical and experiment results without any loss of accuracy in either of them.

Large eddy simulations for fan-OGV broadband noise prediction

The work in this paper forms part of a project on the use of large eddy simulation (LES) for broadband rotor-stator interaction noise prediction. Here we focus on LES of the flow field near a fan blade trailing edge. The first part of the paper aims to evaluate LES suitability for predicting the near-field velocity field for a blunt NACA-0012 airfoil at moderate Reynolds numbers (2× 10 5 and 4× 10 5). Preliminary computations of turbulent mean and root-mean-square velocities, as well as energy spectra at the trailing edge, are compared with those from a recent experiment.1 The second part of the paper describes preliminary progress on an LES calculation of the fan wakes on a fan rig. 2 The CFD code uses a mixed element unstructured mesh with a median dual control volume. A wall-adapting local eddy-viscosity sub-grid scale model is employed. A very small amount of numerical dissipation is added in the numerical scheme to keep the compressible solver stable. Further results for the fan turbulentmean and RMS velocity, and especially the aeroacoustics field will be presented at a later stage. Copyright © 2008 by Qinling LI, Nigel Peake & Mark Savill.

Curvature and wrinkling of premixed flame Kernels comparison between planar laser induced fluorescence (PLIF) and 3D direct numerical simulations (DNS)

A direct comparison between time resolved PLIF measurements of OH and two dimensional slices from a full three dimensional DNS data set of turbulent premixed flame kernels in lean methane/air mixture was presented. The local flame structure and the degree of flame wrinkling were examined in response to differing turbulence intensities and turbulent Reynolds numbers. Simulations were performed using the SEGA DNS code, which is based on the solution of the compressible Navier Stokes, species, and energy equations for a lean hydrocarbon mixture. For the OH PLIF measurements, a cluster of four Nd:YAG laser was fired sequentially at high repetition rates and used to pump a dye laser. The frequency doubled laser beam was formed into a sheet of 40 mm height using a cylindrical telescope. The combination of PLIF and DNS has been demonstrated as a powerful tool for flame analysis. This research will form the basis for the development of sub-grid-scale (SGS) models for LES of lean-premixed combustion systems such as gas turbines. This is an abstract of a paper presented at the 30th International Symposium on Combustion (Chicago, IL 7/25-30/2004).

Permeability of Fractal Porous Media by Monte Carlo Simulations

The permeability of the fractal porous media is simulated by Monte Carlo technique in this work. Based oil the fractal character of pore size distribution in porous media, the probability models for pore diameter and for permeability are derived. Taking the bi-dispersed fractal porous media as examples, the permeability calculations are performed by the present Monte Carlo method. The results show that the present simulations present a good agreement compared with the existing fractal analytical solution in the general interested porosity range. The proposed simulation method may have the potential in prediction of other transport properties (such as thermal conductivity, dispersion conductivity and electrical conductivity) in fractal porous media, both saturated and unsaturated.

Experiments and Lagrangian simulations on the formation of droplets in continuous mode

Experimental and computational studies on the dynamics of millimeter-scale cylindrical liquid jets are presented. The influences of the modulation amplitude and the nozzle geometry on jet behavior have been considered. Laser Doppler anemometry (LDA) was used in order to extract the velocity field of a jet along its length, and to determine the velocity modulation amplitude. Jet shapes and breakup dynamics were observed via shadowgraph imaging. Aqueous solutions of glycerol were used for these experiments. Results were compared with Lagrangian finite-element simulations with good quantitative agreement. © 2011 The American Physical Society.

Experiments and Lagrangian simulations on the formation of droplets in drop-on-demand mode

The creation and evolution of millimeter-sized droplets of a Newtonian liquid generated on demand by the action of pressure pulses were studied experimentally and simulated numerically. The velocity response within a model, large-scale printhead was recorded by laser Doppler anemometry, and the waveform was used in Lagrangian finite-element simulations as an input. Droplet shapes and positions were observed by shadowgraphy and compared with their numerically obtained analogues. © 2011 American Physical Society.

Simulations of Mechanical Behavior of Polycrystalline Copper with Nano-Twins

Mechanical behavior and microstructure evolution of polycrystalline copper with nano-twins were investigated in the present work by finite element simulations. The fracture of grain boundaries are described by a cohesive interface constitutive model based on the strain gradient plasticity theory. A systematic study of the strength and ductility for different grain sizes and twin lamellae distributions is performed. The results show that the material strength and ductility strongly depend on the grain size and the distribution of twin lamellae microstructures in the polycrystalline copper.

Determination Ofinterfacial Mechanical Parameters For An Al/Epoxy/Al2O3 System Byusing Peel Test Simulations

Peel test measurements and simulations of the interfacial mechanical parameters for the Al/Epoxy/Al2O3 system are performed in the present investigation. A series of Al film thicknesses between 20 and 250 microns and three peel angles of 90, 135 and 180 degrees are considered. Two types of epoxy adhesives are adopted to obtain both strong and weak interface adhesions. A finite element model with cohesive zone elements is used to identify the interfacial parameters and simulate the peel test process. By simulating and recording normal stress near the crack tip, the separation strength is obtained. Furthermore, the cohesive energy is identified by comparing the simulated steady-state peel force and the experimental result. It is found from the research that both the cohesive energy and the separation strength can be taken as the intrinsic interfacial parameters which are dependent on the thickness of the adhesive layer and independent of the film thickness and peel angle.

Large Scale Numerical Simulations For Multi-Phase Fluid Dynamics With Moving Interfaces

This short communication presents our recent studies to implement numerical simulations for multi-phase flows on top-ranked supercomputer systems with distributed memory architecture. The numerical model is designed so as to make full use of the capacity of the hardware. Satisfactory scalability in terms of both the parallel speed-up rate and the size of the problem has been obtained on two high rank systems with massively parallel processors, the Earth Simulator (Earth simulator research center, Yokohama Kanagawa, Japan) and the TSUBAME (Tokyo Institute of Technology, Tokyo, Japan) supercomputers.

Grain Boundary Effects On Plastic Deformation And Fracture Mechanisms In Cu Nanowires: Molecular Dynamics Simulations

Metallic nanowires have many attractive properties such as ultra-high yield strength and large tensile elongation. However, recent experiments show that metallic nanowires often contain grain boundaries, which are expected to significantly affect mechanical properties. By using molecular dynamics simulations, here, we demonstrate that polycrystalline Cu nanowires exhibit tensile deformation behavior distinctly different from their single-crystal counterparts. A significantly lowered yield strength was observed as a result of dislocation emission from grain boundaries rather than from free surfaces, despite of the very high surface to volume ratio. Necking starts from the grain boundary followed by fracture, resulting in reduced tensile ductility. The high stresses found in the grain boundary region clearly play a dominant role in controlling both inelastic deformation and fracture processes in nanoscale objects. These findings have implications for designing stronger and more ductile structures and devices on nanoscale.