Advances in Computational Mechanics by Grant Steven, Qing Li, Zhongpu Zhang

By Grant Steven, Qing Li, Zhongpu Zhang

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E. comparable to 1010 s-1 applied in prior studies [8]). These results are useful for indicating atomistic mechanisms and as supplementary validation for experimental observations on a relative basis only. Approach and methodology A bi-crystal structure with a planar GB interface was selected as the most-appropriate for investigating the key characteristics of individual GB-dislocation interactions, because it is the simplest coherent structure and has few independent variables. The FCC metal, aluminium, was selected for its high stacking fault energy in order to minimise the formation of stacking faults.

Such matters should be tested using models that allow such degradation. At the lower end of the strain the calculations seems to be in agreement with some experiments through IFM experiments15, who have reported an elastic response for SAMs. Young’s modulus Young’s modulus (E) is a measure of stiffness of materials and can be found from the slope of the stress-strain curve at the linear region, or as the ratio of uniaxial stress and uniaxial strain. The Young’s modulus was obtained by averaging the slope of the stress versus strain curve at only low pressures up to 700 MPa.

58(17) (1998). 11085-088. Applied Mechanics and Materials Vol. au Keywords: Self Assembled Monolayers, Molecular Dynamics Simulation, Stress-Strain, Young’s Modulus Abstract. Molecular dynamics simulation was used to study the effect of pressure on self assembled monolayers (SAM) of n-alkanethiols [(CH3(CH2)n-1, n=14, 15] on Au (111) for dry systems and in the presence of water. The stress-strain behavior and effects of compression on structural characteristics under various normal pressures have been investigated.

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