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A first principles machine learning model has been developed aimed at studying the formation of calcium carbonate from aqueous solution using molecular dynamics simulations. The model, dubbed SCAN-ML, reproduces accurately the potential…
In industrial facilities and household equipments scale formation leads to reduced efficiency and damages. Therefore various devices for anti-scale have been designed for a long time. Recently one of them, an aggregation of ceramic spheres,…
CO2 injection into a saline aquifer crossed by a tectonic fault is studied with coupled fluid mechanics - geomechanics modeling. The simulation approach is based on coupling of the MUFITS reservoir simulator and the FLAC3D mechanical…
In this paper, we developed a mathematical model for the sedimentation process of small particles in a lid-driven cavity flow with an obstacle to model the transport of microplastic particles in rivers. A stationary incompressible…
Macroscopic voids at the steel-concrete interface and their degree of saturation with an aqueous electrolyte are known to play an important role in the corrosion of steel in reinforced concrete. Irrespective of the exposure conditions and…
Subsurface sequestration of CO2 has received attention from the global scientific community in response to climate change concerns due to higher concentrations of CO2 in the atmosphere. Mathematical models have thus been developed to aid…
We develop a coarse grained (CG) approach for efficiently simulating calcium dynamics in the endoplasmic reticulum membrane based on a fine stochastic lattice gas model. By grouping neighboring microscopic sites together into CG cells and…
Calcium carbonate (CaCO3) was synthesized from diverse water-free alcohol solutions, resulting in the formation of vaterite and calcite precipitates, or stable particle supensions, with dimension and morphology depending upon the condition…
Mixing of two fluids can lead to the formation of a precipitate. If one of the fluids is injected into a confined space filled with the other, a created precipitate disrupts the flow locally and forms complex spatiotemporal patterns. The…
The optimal operation of water reservoir systems is a challenging task involving multiple conflicting objectives. The main source of complexity is the presence of the water inflow, which acts as an exogenous, highly uncertain disturbance on…
Soil properties, such as wetting collapse behavior and permeability, are strongly correlated to the soil microstructure. To date, several techniques including mercury intrusion porosimetry (MIP), can be used to characterize the…
The microwave imaging system(MIS) stands out among prominent imaging tools for capturing images of concealed obstacles. Leveraging its capability to penetrate through heterogeneous environments MIS has been widely used for subsurface…
The nucleation and growth of calcite is an important research in scientific and industrial field. Both the macroscopic and microscopic observation of calcite growth have been reported. Now, with the development of microfluidic device, we…
Geological carbon capture and sequestration (CCS), where CO$_2$ is stored in subsurface formations, is a promising and scalable approach for reducing global emissions. However, if done incorrectly, it may lead to earthquakes and leakage of…
From soft polymeric gels to hardened cement paste, amorphous solids under constant load exhibit a pronounced time-dependent deformation called creep. The microscopic mechanism of such a phenomenon is poorly understood in amorphous materials…
We extended the multilevel Monte of Carlo (MLMC) approach to simulation of groundwater flow in porous media by incorporating direct measurements of medium properties. Numerical simulations of Waste Isolation Pilot Plant (WIPP) repository in…
Self-assembly of sub-micron particles suspended in a water film is investigated numerically. The liquid medium is allowed to evaporate leaving only the sub-micron particles. A coupled CFD-DEM approach is used for the simulation of…
In this work we consider the semi-batch process of precipitation of calcium carbonate solids from a solution containing calcium ions by adjusting the pH of the solution. The change in pH is induced either by the addition of alkaline…
The infiltration of molten silicon into carbon preforms is a widespread technique employed in the industry in order to enhance the thermal and mechanical properties of the final ceramic products. A proper understanding of this phenomenon is…
Carbon capture and storage in basalt is being actively investigated as a scalable climate change mitigation option. Accurate geochemical modeling prediction of the extent and rate of CO2 mineralization is a critical component in assessing…