EMSL Geochemistry, Biogeochemistry and Subsurface Science-Science Theme Advisory Panel Meeting

This report covers the topics of discussion and the recommendations of the panel members. On December 8 and 9, 2010, the Geochemistry, Biogeochemistry, and Subsurface Science (GBSS) Science Theme Advisory Panel (STAP) convened for a more in-depth exploration of the five Science Theme focus areas developed at a similar meeting held in 2009. The goal for the fiscal year (FY) 2011 meeting was to identify potential topical areas for science campaigns, necessary experimental development needs, and scientific members for potential research teams. After a review of the current science in each of the five focus areas, the 2010 STAP discussions successfully led to the identification of one well focused campaign idea in pore-scale modeling and five longer-term potential research campaign ideas that would likely require additional workshops to identify specific research thrusts. These five campaign areas can be grouped into two categories: (1) the application of advanced high-resolution, high mass accuracy experimental techniques to elucidate the interplay between geochemistry and microbial communities in terrestrial ecosystems and (2) coupled computation/experimental investigations of the electron transfer reactions either between mineral surfaces and outer membranes of microbial cells or between the outer and inner membranes of microbial cells

EMSL and Institute for Integrated Catalysis (IIC) Catalysis Workshop

Within the context of significantly accelerating scientific progress in research areas that address important societal problems, a workshop was held in November 2010 at EMSL to identify specific and topically important areas of research and capability needs in catalysis-related science

Artificial boundaries and formulations for the incompressible Navier-Stokes equations. Applications to air and blood flows.

International audienceWe deal with numerical simulations of incompressible Navier-Stokes equations in truncated domain. In this context, the formulation of these equations has to be selected carefully in order to guarantee that their associated artificial boundary conditions are relevant for the considered problem. In this paper, we review some of the formulations proposed in the literature, and their associated boundary conditions. Some numerical results linked to each formulation are also presented. We compare different schemes, giving successful computations as well as problematic ones, in order to better understand the difference between these schemes and their behaviours dealing with systems involving Neumann boundary conditions. We also review two stabilization methods which aim at suppressing the instabilities linked to these natural boundary conditions

Bridging simulations and experiments in microstructure evolution

We demonstrate the importance of anisotropic interface properties in microstructure evolution by comparing computed evolved microstructures to final experimental microstructures of 5170 grains in 19 thin aluminum foil samples. This is the first time that a direct experimental validation of simulation has been performed at the level of individual grains. We observe that simulated microstructures using curvature-driven grain boundary motion and anisotropic interface properties agree well with experimentally evolved microstructures, whereas agreement is poor when isotropic properties are used. DOI: 10.1103/PhysRevLett.90.016106 PACS numbers: 68.35.-p, 68.37.Hk, 68.55.Jk, 81.40.-z This paper seeks to extend previous statistical comparisons of predicted and experimentally observed grain boundary network evolution by demonstrating agreement at the scale of individual grains, provided that the anisotropy of interfacial energy and mobility is included. With very few exceptions [1], only statistical comparisons have been made such as determining the exponent in the power-law relationship between average radius and time. In addition to this general aim, we consider coarsening in networks of low angle grain boundaries (subgrains), which has been the subject of some controversy. Some authors have postulated that the interfaces are essentially sessile because they are themselves networks of lattice dislocations and that coarsening occurs by rotation of individual subgrains We have previously shown a strong agreement between small-scale grain growth experiments and anisotropic three-dimensional simulations [5] obtained from electron backscatter diffraction (EBSD) measurements Our simulation model uses curvature-driven motion implemented by GRAIN3D ( ). The grain boundary mobility is low for small misorientations but undergoes a sharp transition to high mobilities between 10 and 15 in misorientation which is in agreement with the literature [12 -14]. For our simulations, we assume that all high angle grain boundaries (> 15 ) have the same values of energy and mobility. The occurrence of high angle boundaries is very low in this material, which means that only a small error is introduced by this assumption. This experiment permitted a verification of curvature-driven interface motio

Relative permeability for water and gas through fractures in cement.

Relative permeability is an important attribute influencing subsurface multiphase flow. Characterization of relative permeability is necessary to support activities such as carbon sequestration, geothermal energy production, and oil and gas exploration. Previous research efforts have largely neglected the relative permeability of wellbore cement used to seal well bores where risks of leak are significant. Therefore this study was performed to evaluate fracturing on permeability and relative permeability of wellbore cement. Studies of relative permeability of water and air were conducted using ordinary Portland cement paste cylinders having fracture networks that exhibited a range of permeability values. The measured relative permeability was compared with three models, 1) Corey-curve, often used for modeling relative permeability in porous media, 2) X-curve, commonly used to represent relative permeability of fractures, and 3) Burdine model based on fitting the Brooks-Corey function to fracture saturation-pressure data inferred from x-ray computed tomography (XCT) derived aperture distribution results. Experimentally-determined aqueous relative permeability was best described by the Burdine model. Though water phase tended to follow the Corey-curve for the simple fracture system while air relative permeability was best described by the X-curve