Plant cells are enclosed by a rigid cell wall that counteracts the internal osmotic pressure of the vacuole and limits the rate and direction of cell enlargement. When developmental or physiological cues induce cell extension, plant cells increase wall plasticity by a process called loosening. It was demonstrated previously that a class of proteins known as expansins are mediators of wall loosening. Here, we report a type of cell wall-loosening protein that does not share any homology with expansins but is a member of the lipid transfer proteins (LTPs). LTPs are known to bind a large range of lipid molecules to their hydrophobic cavity, and we show here that this cavity is essential for the cell wall-loosening activity of LTP. Furthermore, we show that LTP-enhanced wall extension can be described by a logarithmic time function. We hypothesize that LTP associates with hydrophobic wall compounds, causing nonhydrolytic disruption of the cell wall and subsequently facilitating wall extension.

A novel cell-centred control-volume distributed multi-point flux approximation (CVD-MPFA) finitevolume formulation is presented for discrete fracture-matrix simulations in three-dimensions. The grid is aligned with the fractures and barriers which are then modelled as lower-dimensional interfaces located between the matrix cells in the physical domain. The three-dimensional(3D) pressure equation is solved in the matrix domain coupled with a two-dimensional(2D) pressure equation solved over fracture networks via a surface CVD-MPFA formulation. The CVD-MPFA formulation naturally handles fractures with anisotropic permeabilities on unstructured grids. Matrix-fracture fluxes are expressed in terms of matrix and fracture pressures and must be added to the lower-dimensional flow equation (called the transfer function). An additional transmission condition is used between matrix cells adjacent to low permeable fractures to link the velocity and pressure jump across the fractures. Numerical tests serve to assess the convergence and accuracy of the lower-dimensional fracture model for highly anisotropic fractures having different apertures and permeability tensors. A transport equation for tracer flow is coupled via the Darcy flux for single and intersecting fractures. The lower-dimensional approach for intersecting fractures avoids the more restrictive CFL condition corresponding to the equi-dimensional approximation with explicit time discretisation. Lower-dimensional fracture model results are compared with equi-dimensional model results. Fractures and barriers are efficiently modelled by lower-dimensional interfaces which yield comparable results to those of the equi-dimensional model. Highly conductive fractures are modelled as lower-dimensional entities with continuous pressure across these leading to reduced local degrees of freedom for the cluster of cells. Moreover, we present 3D simulations involving geologically representative complex fracture networks.

We report Monte Carlo simulations of the self-assembly of supramolecular polymers based on a model of patchy particles. We find a first-order phase transition, characterized by hysteresis and nucleation, toward a solid bundle of polymers, of length much greater than the average gas phase length. We argue that the bundling transition is the supramolecular equivalent of the sublimation transition, which results from a weak chain-chain interaction. We provide a qualitative equation of state that gives physical insight beyond the specific values of the parameters used in our simulations.

A novel cell-centred control-volume distributed multi-point flux approximation (CVD-MPFA) finite-volume formulation is presented for discrete fracture-matrix simulations on unstructured grids in three-dimensions (3D). The grid is aligned with fractures and barriers which are then modelled as lower-dimensional surface interfaces located between the matrix cells in the physical domain. The three-dimensional pressure equation is solved in the matrix domain coupled with a two-dimensional (2D) surface pressure equation solved over fracture networks via a novel surface CVD-MPFA formulation. The CVD-MPFA formulation naturally handles fractures with anisotropic permeabilities on unstructured grids. Matrix-fracture fluxes are expressed in terms of matrix and fracture pressures and define the transfer function, which is added to the lowerdimensional flow equation and couples the three-dimensional and surface systems. An additional transmission condition is used between matrix cells adjacent to low permeable fractures to couple the velocity and pressure jump across the fractures. Convergence and accuracy of the lower-dimensional fracture model is assessed for highly anisotropic fractures having a range of apertures and permeability tensors. A transport equation for tracer flow is coupled via the Darcy flux for single and intersecting fractures. The lower-dimensional approximation for intersecting fractures avoids the more restrictive CFL condition corresponding to the equi-dimensional approximation with explicit time discretisation. Lower-dimensional fracture model results are compared with equi-dimensional model results. Fractures and barriers are efficiently modelled by lowerdimensional interfaces which yield comparable results to those of the equi-dimensional model. Pressure continuity is built into the model across highly conductive fractures, leading to reduced local degrees of freedom in the CVD-MPFA approximation. The formulation is applied to geologically complex fracture networks in three-dimensions. The effects of the fracture permeability, aperture and grid resolution are also assessed with respect to convergence and computational cost.

A cell-centered control-volume distributed multi-point flux approximation (CVD-MPFA) finite-volume formulation is presented for discrete fracture-matrix simulations. The grid is aligned with the fractures and barriers which are then modeled as lower-dimensional interfaces located between the matrix cells in the physical domain. The nD pressure equation is solved in the matrix domain coupled with an (n-1)D pressure equation solved in the fractures. The CVD-MPFA formulation naturally handles fractures with anisotropic permeabilities on unstructured grids. Matrix-fracture fluxes are expressed in terms of matrix and fracture pressures, and must be added to the lower-dimensional flow equation (called the transfer function). An additional transmission condition is used between matrix cells adjacent to low permeable fractures to link the velocity and pressure jump across the fractures. Numerical tests serve to assess the convergence and accuracy of the lower-dimensional fracture model for highly anisotropic fractures having different apertures and permeability tensors. A transport equation for tracer flow is coupled via the Darcy flux for single and intersecting fractures. The lower-dimensional approach for intersecting fractures avoids the more restrictive CFL condition corresponding to the equi-dimensional approximation with explicit time discretization. Lower-dimensional fracture model results are compared with hybrid-grid and equi-dimensional model results. Fractures and barriers are efficiently modeled by lower-dimensional interfaces which yield comparable results to those of the equi-dimensional model. Highly conductive fractures are modeled as lower-dimensional entities without the use of locally refined grids that are required by the equi-dimensional model, while pressure continuity across fractures is built into the model, without depending on the extra degrees of freedom which must be added locally by the hybrid-grid method.The lower-dimensional fracture model also yields improved results when compared to those of the hybrid-grid model for fractures with low-permeability in the normal direction to the fracture. In addition, a transient pressure simulation involving geologically representative complex fracture networks is presented.