Development of a classical force field for the oxidized Si surface: application to hydrophilic wafer bonding.

We have developed a classical two- and three-body interaction potential to simulate the hydroxylated, natively oxidized Si surface in contact with water solutions, based on the combination and extension of the Stillinger-Weber potential and of a potential originally developed to simulate SiO(2) polymorphs. The potential parameters are chosen to reproduce the structure, charge distribution, tensile surface stress, and interactions with single water molecules of a natively oxidized Si surface model previously obtained by means of accurate density functional theory simulations. We have applied the potential to the case of hydrophilic silicon wafer bonding at room temperature, revealing maximum room temperature work of adhesion values for natively oxidized and amorphous silica surfaces of 97 and 90 mJm(2), respectively, at a water adsorption coverage of approximately 1 ML. The difference arises from the stronger interaction of the natively oxidized surface with liquid water, resulting in a higher heat of immersion (203 vs 166 mJm(2)), and may be explained in terms of the more pronounced water structuring close to the surface in alternating layers of larger and smaller densities with respect to the liquid bulk. The computed force-displacement bonding curves may be a useful input for cohesive zone models where both the topographic details of the surfaces and the dependence of the attractive force on the initial surface separation and wetting can be taken into account.

Explosion pressure prediction via polynomial mathematical correlation based on advanced CFD Modelling

Computational Fluid Dynamics CFD can be used as a powerful tool supporting engineers throughout the steps of the design. The combination of CFD with response surface methodology can play an important role in such cases. During the conceptual engineering design phase, a quick response is always a matter of urgency. During this phase even a sketch of the geometrical model is rare. Therefore, the utilisation of typical response surface developed for congested and confined environment rather than CFD can be an important tool to help the decision making process, when the geometrical model is not available, provided that similarities can be considered when taking into account the characteristic of the geometry in which the response surface was developed. The present work investigates how three different types of response surfaces behave when predicting overpressure in accidental scenarios based on CFD input. First order, partial second order and complete second order polynomial expressions are investigated. The predicted results are compared with CFD findings for a classical offshore experiment conducted by British Gas on behalf of Mobil and good agreement is observed for higher order response surfaces. The higher order response surface calculations are also compared with CFD calculations for a typical offshore module and good agreement is also observed. © 2011 Elsevier Ltd.

Uplift resistance of buried pipelines at low cover-diameter ratios

Reliable estimates for the maximum available uplift resistance from the backfill soil are essential to prevent upheaval buckling of buried pipelines. The current design code DNV RP F110 does not offer guidance on how to predict the uplift resistance when the cover:pipe diameter (H/D) ratio is less than 2. Hence the current industry practice is to discount the shear contribution from uplift resitance for design scenarios with H/D ratios less than 1. The necessity of this extra conservatism is assessed through a series of full-scale and centrifuge tests, 21 in total, at the Schofield Centre, University of Cambridge. Backfill types include saturated loose sand, saturated dense sand and dry gravel. Data revealed that the Vertical Slip Surface Model remains applicable for design scenarios in loose sand, dense sand and gravel with H/D ratios less than 1, and that there is no evidence that the contribution from shear should be ignored at these low H/D ratios. For uplift events in gravel, the shear component seems reliable if the cover is more than 1-2 times the average particle size (D50), and more research effort is currenty being carried out to verify this conclusion. Strain analysis from the Particle Image Velocimetry (PIV) technique proves that the Vertical Slip Surface Model is a good representation of the true uplift deformation mechanism in loose sand at H/D ratios between 0.5 and 3.5. At very low H/D ratios (H/D < 0.5), the deformation mechanism is more wedge-like, but the increased contribution from soil weight is likely to be compensated by the reduced shear contributions. Hence the design equation based on the Vertical Slip Surface Model still produces good estimates for the maximum available uplift resistance. The evolution of shear strain field from PIV analysis provides useful insight into how uplift resistance is mobilized as the uplift event progresses. Copyright 2010, Offshore Technology Conference.

Coupling model uncertainty for coupled rainfall/runoff and surface water quality models in river problems

Coupled hydrology and water quality models are an important tool today, used in the understanding and management of surface water and watershed areas. Such problems are generally subject to substantial uncertainty in parameters, process understanding, and data. Component models, drawing on different data, concepts, and structures, are affected differently by each of these uncertain elements. This paper proposes a framework wherein the response of component models to their respective uncertain elements can be quantified and assessed, using a hydrological model and water quality model as two exemplars. The resulting assessments can be used to identify model coupling strategies that permit more appropriate use and calibration of individual models, and a better overall coupled model response. One key finding was that an approximate balance of water quality and hydrological model responses can be obtained using both the QUAL2E and Mike11 water quality models. The balance point, however, does not support a particularly narrow surface response (or stringent calibration criteria) with respect to the water quality calibration data, at least in the case examined here. Additionally, it is clear from the results presented that the structural source of uncertainty is at least as significant as parameter-based uncertainties in areal models. © 2012 John Wiley & Sons, Ltd.

A constitutive model for transversely isotropic foams, and its application to the indentation of balsa wood

An elastic-plastic constitutive model for transversely isotropic compressible solids (foams) has been developed. A quadratic yield surface with four parameters and one hardening function is proposed. Associated plastic flow is assumed and the yield surface evolves in a self-similar manner calibrated by the uniaxial compressive (or tensile) response of the cellular solid in the axial direction. All material constants in the model (elastic and plastic) can be determined from a combination of a total of four uniaxial and shear tests. The model is used to predict the indentation response of balsa wood to a conical indenter. For the three cone angles considered in this study, very good agreement is found between the experimental measurements and the finite element (FE) predictions of the transversely isotropic cellular solid model. On the other hand, an isotropic foam model is shown to be inadequate to capture the indentation response. © 2005 Elsevier Ltd. All rights reserved.