Related papers: Determining effective permeability at reservoir sc…
The problem of definition of effective material parameters (permittivity and permeability) for composite layers containing only one-two parallel arrays of complex-shaped inclusions is discussed. Such structures are of high importance for…
Chemical accuracy serves as an important metric for assessing the effectiveness of the numerical method in Kohn--Sham density functional theory. It is found that to achieve chemical accuracy, not only the Kohn--Sham wavefunctions but also…
To evaluate models as hypotheses, we developed the method of Flux Mapping to construct a hypothesis space based on dominant runoff generating mechanisms. Acceptable model runs, defined as total simulated flow with similar (and minimal)…
Kappa distributions are widely used in space plasma physics to model velocity distribution functions with heavy tails. Parameter estimation in these distributions is, however, complicated by the fact that the kappa distribution does not…
Metal Organic Frameworks (MOFs) are promising materials to help mitigate the effects of global warming by selectively absorbing $\text{CO}_{2}$ for direct capture. Accurate quantum chemistry simulations are a useful tool to help select and…
The electrochemical permeation test is one of the most used methods for characterising hydrogen diffusion in metals. The flux of hydrogen atoms registered in the oxidation cell might be fitted to obtain apparent diffusivities. The magnitude…
The focus of the present work is the application of the random phase approximation (RPA), derived for inhomogeneous fluids [Frydel and Ma, Phys. Rev. E 93, 062112 (2016)], to penetrable-spheres. As penetrable-spheres transform into…
Flow and transport in fractured geological media are strongly controlled by aperture heterogeneity and uncertainty in subsurface characterisation, yet most upscaling approaches rely on deterministic representations of fracture permeability.…
Subsurface storage of CO2 is predicted to rise exponentially in response to the increasing levels of CO2 in the atmosphere. Large-scale CO2 injections into the subsurface require understanding of the potential for fluid flow through faults…
Estimation of the failure probability of offshore structures exposed to extreme ocean environments is critical to their safe design and operation. The conditional density of the environment (CDE) quantifies regions of the space of long term…
We report a detailed study, using state-of-the-art simulation and theoretical methods, of the depletion potential between a pair of big hard spheres immersed in a reservoir of much smaller hard spheres, the size disparity being measured by…
Estimating the distribution of outcomes under counterfactual policies is critical for decision-making in domains such as recommendation, advertising, and healthcare. We propose and analyze a novel framework-Counterfactual Policy Mean…
Precipitation and dissolution are prime processes in carbonate rocks and being able to monitor them is of major importance for aquifer and reservoir exploitation or environmental studies. Electrical conductivity is a physical property…
Accurate characterization of subsurface heterogeneity is challenging but essential for applications such as reservoir pressure management, geothermal energy extraction and CO$_2$, H$_2$, and wastewater injection operations. This challenge…
The probability distribution of precipitation amount strongly depends on geography, climate zone, and time scale considered. Closed-form parametric probability distributions are not sufficiently flexible to provide accurate and universal…
Kohn-Sham density functional theory (DFT) is the standard method for first-principles calculations in computational chemistry and materials science. More accurate theories such as the random-phase approximation (RPA) are limited in…
We consider the problem of statistical inference for the effective dynamics of multiscale diffusion processes with (at least) two widely separated characteristic time scales. More precisely, we seek to determine parameters in the effective…
By measuring angular-oscillation behavior of the heat capacity with respect to the applied field direction, one can detect the details of the gap structure. We introduce the Kramer-Pesch approximation (KPA) as a new method to analyze the…
In modern engineering, computer simulations are a popular tool to analyse, design, and optimize systems. Furthermore, concepts of uncertainty and the related reliability analysis and robust design are of increasing importance. Hence, an…
The trade-off between image resolution and model field-of-view has long been a limitation for numerical simulations in digital rock models. A significant amount of sub-resolution pore space cannot be captured in the unresolved digital rock…