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Soil moisture is a quantity of interest in many application areas including agriculture and climate modeling. Existing methods are not suitable for scale applications due to large deployment costs in high-resolution sensing applications…
Highly compacted sand-bentonite mixtures are often considered as possible engineered barriers in deep high-level radioactive waste disposals. In-situ, the saturation of these barriers from their initially unsaturated state is a complex…
A gyrokinetic threshold model for pedestal width-height scaling prediction is applied to multiple devices and to a shaping and aspect-ratio scan giving $\Delta_{\mathrm{ped}} = 0.92 A^{1.04} \kappa^{-1.24} 0.38^{\delta}…
Permeability and heat transport through building materials ultimately dictates their insulatory performance over a buildings service lifetime. Experiments combining XCT with numerical modelling are an accepted method of studying pore scale…
Ensuring that crops use water and nutrients efficiently is an important strategy for increasing the profitability of farming and reducing the environmental load from agriculture. Subsurface irrigation can be an alternative to surface…
This paper gives a summary of basic concepts of density-functional theory (DFT) and its use in state-of-the-art computations of complex processes in condensed matter physics and materials science. In particular we discuss how microscopic…
This paper addresses the fundamental task of estimating covariance matrix functions for high-dimensional functional data/functional time series. We consider two functional factor structures encompassing either functional factors with scalar…
Unsaturated hydraulic ($K$) and electrical ($\sigma_b$) conductivity are often considered durability indicators of cement-based materials. However, $K$ is difficult to measure experimentally. This is due to the large pressure requirements…
Site density functional theory (SDFT) provides a rigorous framework for statistical mechanics analysis of inhomogeneous molecular liquids. The key defining feature of these systems is the presence of two very distinct interactions scales…
Soil texture is a foundational attribute that governs water availability and erosion in agriculture, as well as load bearing capacity, deformation response, and shrink-swell risk in geotechnical engineering. Yet texture is still typically…
Most realistic calculations of moderately correlated materials begin with a ground-state density functional theory (DFT) calculation. While Kohn-Sham DFT is used in about 40,000 scientific papers each year, the fundamental underpinnings are…
In this general report, experimental systems and procedures of investigating the hydro-mechanical behaviour of unsaturated soils are presented. The water retention properties of unsaturated soils are commented and linked to various physical…
This study introduces novel insights into the development of procedures for identifying the most relevant scales for observing the interactions of dynamic wettability and surface complexities. The experimental procedures presented for…
Nanoscale design of surfaces and interfaces is essential for modern technologies like organic LEDs, batteries, fuel cells, superlubricating surfaces, and heterogeneous catalysis. However, these systems often exhibit complex surface…
Predicting the permeability of porous media in saturated and partially saturated conditions is of crucial importance in many geo-engineering areas, from water resources to vadose zone hydrology or contaminant transport predictions. Many…
This article introduces the Stochastic Texture Difference method for analyzing data at prescribed spatial and value scales. This method relies on constrained random walks around each pixel, describing how nearby image values typically…
Turbulent concentric coaxial pipe flows are numerically investigated as canonical problem addressing spanwise curvature effects on heat and momentum transfer that are encountered in various engineering applications. It is demonstrated that…
A rigorous thermodynamic treatment of partially saturated soils is developed using a minimal number of assumptions. The derivation is carried out in a way that does not require to explicitly track the complex shapes of interfaces between…
In the present paper we give a brief summary of some recent theoretical advances in the treatment of inhomogeneous fluids and methods which have applications in the study of dynamical properties of liquids in situations of extreme…
We present a set of benchmark calculations for the Kohn-Sham elastic transmission function of five representative single-molecule junctions. The transmission functions are calculated using two different density functional theory (DFT)…