Related papers: Practical approaches to study microbially induced …
Pressure-solution is a chemo-mechanical process, involving dissolution at grain/asperity contacts and precipitation away from them. It induces a compaction in time of rocks and sediments. The present study investigates numerically the…
Multiparticle collision dynamics (MPCD) is a relatively new algorithm of fluid flow simulations that has been applied mostly to flows around simple objects. One might ask how it behaves in more complex flows. Therefore, we extend MPCD to…
Machine learning interatomic potentials (MLIPs) are routinely used to model diverse atomistic phenomena, yet parameterizing them to accurately capture solid-state phase transformations remains difficult. We present error metrics and…
The current work combines the Cluster Dynamics (CD) technique and CALPHAD-based precipitation modeling to address the second phase precipitation in cold-worked (CW) 316 stainless steels (SS) under irradiation at 300-400 C. CD provides the…
Understanding concentrated electrolytes requires a theory that spans local hydration and mesoscale interfacial assembly. We present an integrated workflow-SCOPE-that combines (i) enhanced sampling focused on a single Li+ ion, (ii)…
Evaporation-driven particle self-assembly can be used to generate three-dimensional microstructures. We present a new method to create these colloidal microstructures, in which we can control the amount of particles and their packing…
Ice templating, a route where ice crystals are used to template macroporosity, has been used to process a variety of materials with one level of macropores. We demonstrate here a variant of ice templating based on the solidification of…
Impregnation of Phase Change Materials (PCMs) into a porous medium is a promising way to stabilize their shape and improve thermal conductivity which are essential for thermal energy storage and thermal management of small-size…
Calcium is an ubiquitous second messenger that triggers a plethora of key physiological responses. The events are initiated in micro- or nano-sized compartments and determined by the complex interactions with calcium-binding proteins and…
The present work addresses the simulation of pore emptying during the drying of battery electrodes. For this purpose, a model based on the multiphase-field method (MPF) is used, since it is an established approach for modeling and…
Residual entropy, which reflects the degrees of freedom in a system at absolute zero temperature, is crucial for understanding quantum and classical ground states. Despite its key role in explaining low-temperature phenomena and ground…
Understanding interfacial phenomena in confined systems is important for optimizing CO2 capture technologies. Here, we present a comprehensive investigation of CO2 adsorption in hydrated amorphous silica nanopores through an integrated…
The Radial Point Interpolation Mixed Collocation (RPIMC) method is proposed in this paper for transient analysis of diffusion problems. RPIMC is an efficient purely meshless method where the solution of the field variable is obtained…
The Cellular Potts Model (CPM) is a lattice based modeling technique which is widely used for simulating cellular patterns such as foams or biological tissues. Despite its realism and generality, the standard Monte Carlo algorithm used in…
Magnetically-levitated superconducting microparticles have been recently proposed as a promising platform for performing quantum experiments with particles in the picogram regime. Here, we demonstrate the superconducting technology to…
The finite element method is an effective numerical method for accurate analysis of seepage that can determine the values of outlet flow and pore water pressures at any point of the body and the foundation. In the present study, the seepage…
Chemical potential of species in solution is essential for understanding various chemical processes at interfaces. Molecular dynamics (MD) simulations, constrained by fixed compositions, cannot satisfy a constant chemical potential…
Stalagmites in karstic caves preserve valuable palaeoclimate records through calcium-rich layered deposits, presenting curvature variations both across and within individual stalagmites. Stalagmites always remain covered by a thin water…
The simulation of sand--water mixtures requires capturing the stochastic behavior of individual sand particles within a uniform, continuous fluid medium, such as the characteristic of migration, deposition, and plugging across various…
With the growing global deployment of carbon capture and sequestration technology to combat climate change, monitoring and detection of potential CO2 leakage through existing or storage induced faults are critical to the safe and long-term…