Effect Of Water On Brittle Fracture Of Sio2 By Molecular Dynamics Study

The influence of water on the brittle behavior of beta-cristobalite is studied by means of molecular dynamics (MD) simulation With the TTAM potential. Crack extension of mode 1 type is observed as the crack opening is filled LIP With water. The critical stress intensity factor K-lc(MD) is used to characterize the crack extension of MD simulation. The surface energy of SiO2 covered with layers of water is calculated at temperature of 300 K. Based oil the Griffith fracture criterion, the critical stress intensity factor K-lc(Griffith) is calculated, and it is in good agreement with that of MD simulation. (C) 2008 Elsevier B.V. All rights reserved.

An Atomistic-Continuum Hybrid Simulation Of Fluid Flows Over Superhydrophobic Surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper, an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces, in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths, which cannot be obtained by molecular dynamics simulation alone.

Algorithm for simulating fracture processes in concrete by lattice modeling

To simulate fracture behaviors in concrete more realistically, a theoretical analysis on the potential question in the quasi-static method is presented, then a novel algorithm is proposed which takes into account the inertia effect due to unstable crack propagation and meanwhile requests much lower computational efforts than purely dynamic method. The inertia effect due to load increasing becomes less important and can be ignored with the loading rate decreasing, but the inertia effect due to unstable crack propagation remains considerable no matter how low the loading rate is. Therefore, results may become questionable if a fracture process including unstable cracking is simulated by the quasi-static procedure excluding completely inertia effects. However, it requires much higher computational effort to simulate experiments with not very high loading rates by the dynamic method. In this investigation which can be taken as a natural continuation, the potential question of quasi-static method is analyzed based on the dynamic equations of motion. One solution to this question is the new algorithm mentioned above. Numerical examples are provided by the generalized beam (GB) lattice model to show both fracture processes under different loading rates and capability of the new algorithm.

An atomistic-continuum hybrid simulation of fluid flows over superhydrophobic surfaces

Recent experiments have found that slip length could be as large as on the order of 1 mu m for fluid flows over superhydrophobic surfaces. Superhydrophobic surfaces can be achieved by patterning roughness on hydrophobic surfaces. In the present paper an atomistic-continuum hybrid approach is developed to simulate the Couette flows over superhydrophobic surfaces in which a molecular dynamics simulation is used in a small region near the superhydrophobic surface where the continuum assumption is not valid and the Navier-Stokes equations are used in a large region for bulk flows where the continuum assumption does hold. These two descriptions are coupled using the dynamic coupling model in the overlap region to ensure momentum continuity. The hybrid simulation predicts a superhydrophobic state with large slip lengths which cannot be obtained by molecular dynamics simulation alone.

Interface Fracture Behavior Of Electroplated Coating On Metal Substrate Under Compressive Strain

The inducement of interface fracture is crucial to the analysis of interfacial adhesion between coating and substrate. For electroplated coating/metal substrate adhering materials with strong adhesion, interface cracking and coating spalling are difficult to be induced by conventional methods. In this paper an improved bending test named as T-bend test was conducted on a model coating system, i.e. electroplated chromium on a steel substrate. After the test, cross-sections of the coated materials were prepared to compare the failure behaviors under tensile strain and compressive strain induced by T-bend test. And the observation results show that coating cracking, interface cracking and partial spalling appear step by step. Based on experimental results, a new method may be proposed to rank the coated materials with strong inter-facial adhesion. (C) 2008 Elsevier B.V. All rights reserved.

Absolute measurement of roughness and lateral-correlation length of random surfaces by use of the simplified model of image-speckle contrast

We present a method of image-speckle contrast for the nonprecalibration measurement of the root-mean-square roughness and the lateral-correlation length of random surfaces with Gaussian correlation. We use the simplified model of the speckle fields produced by the weak scattering object in the theoretical analysis. The explicit mathematical relation shows that the saturation value of the image-speckle contrast at a large aperture radius determines the roughness, while the variation of the contrast with the aperture radius determines the lateral-correlation length. In the experimental performance, we specially fabricate the random surface samples with Gaussian correlation. The square of the image-speckle contrast is measured versus the radius of the aperture in the 4f system, and the roughness and the lateral-correlation length are extracted by fitting the theoretical result to the experimental data. Comparison of the measurement with that by an atomic force microscope shows our method has a satisfying accuracy. (C) 2002 Optical Society of America.