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Lattice Monte Carlo simulations are used to study the phase behavior of self-assembling ordered mesoporous materials formed by an organic template with amphiphilic properties and an inorganic precursor in a model solvent. Three classes of…
A wide range of experimental systems including gliding, swarming and swimming bacteria, in-vitro motility assays as well as shaken granular media are commonly described as self-propelled rods. Large ensembles of those entities display a…
Solvent-mediated solid-solid phase transformations often result in the formation of a porous medium, which may be stable on long time scales or undergo ripening and consolidation. We have studied replace- ment processes in the KBr-KCl-H2O…
We propose a computationally lean, two-stage approach that reliably predicts self-assembly behavior of complex charged molecules on a metallic surfaces under electrochemical conditions. Stage one uses ab initio simulations to provide…
A current-carrying superconducting strip partly penetrated by magnetic flux and surrounded by a bulk magnet of high permeability is considered. Two types of samples are studied: those with critical current controlled by an edge barrier…
Porous electrodes are found in energy storage devices such as supercapacitors and pseudocapacitors. However, the effect of electrode-pore-size distribution over their energy storage properties remains unclear. Here, we develop a model for…
The electrolyte (comprising of solute ions and solvents) flow-through the porous media is frequently encountered in nature or in many engineering applications, such as the electrochemical systems, manufacturing of composites, oil…
We consider a phase-separating mixture of active and passive fluids and explore morphological asymmetries of the emerging dominantly bicontinous dynamic emulsion. Two-dimensional numerical simulations reveal that the geometric and…
Propagation of high-current relativistic electron beam (REB) in plasma is relevant to many high-energy astrophysical phenomena as well as applications based on high-intensity lasers and charged-particle beams. Here we report a new regime of…
This dissertation addresses two aspects of the theory and simulation of stress-diffusion coupling in semiconductors. The first part is a study of the role of kinetics in the formation of pits in stressed thin films. The second part…
Metal additive manufacturing has gained extensive attention from research institutes and companies to fabricate intricate parts and functionally graded materials. However, the porosity of the as-built part deteriorates the mechanical…
Phase separation in passive systems leads to uncontrolled droplet growth, limiting structural control in soft materials and cells. We identify a generic mechanism to arrest coarsening based on chemical interconversion between molecular…
The electropermeabilization of biological cell membranes by the application of an external field occurs whenever an applied field exceeds a threshold value. For fields above this threshold value but less than another critical value, the…
A predictive model for the evolution of porous Ge layer upon thermal treatment is reported. We represent an idealized etched dislocation core as an axially symmetric elongated hole and computed its dynamics during annealing. Numerical…
We consider a network, bonds of which are being sequentially removed; that is done at random, but conditioned on the system remaining connected (Self-Repairing Bond Percolation SRBP). This model is the simplest representative of a class of…
In particle-laden flows through porous media, porosity and permeability are significantly affected by the deposition and erosion of particles. Experiments show that the permeability evolution of a porous medium with respect to a particle…
Living systems are capable of locomotion, reconfiguration, and replication. To perform these tasks, cells spatiotemporally coordinate the interactions of force-generating, "active" molecules that create and manipulate non-equilibrium…
This work realizes a three-dimensionally (3D) nanoarchitected, all organic, "self-separating" lithium-ion electrochemical energy storage (EES) device that is cycled as a solid-state full cell. The device is enabled by a monolithic carbon…
Dynamic patterning of specific proteins is essential for the spatiotemporal regulation of many important intracellular processes in procaryotes, eucaryotes, and multicellular organisms. The emergence of patterns generated by interactions of…
Understanding the complexity of fragmentation processes is essential for regulating intercellular communication in mechanistic biology and developing novel bottom-up approaches in a large range of multiphase flow processes. In this context,…