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Knowledge about grain boundary migration is a prerequisite for understanding and ultimately modulating the properties of polycrystalline materials. Evidence from experiments and molecular dynamics (MD) simulations suggests that the…
A binary colloidal mixture of unequal sizes, subjected to an external potential barrier, has been investigated using canonical ensemble molecular dynamics simulations. The attractive depletion interaction between the external barrier and…
We present a novel phase-field approach for investigating solute segregation in a moving grain boundary. In our model, the correct choice of various parameters can control the solute-grain boundary interaction potential, resulting in…
Boundary conditions on an extra-dimensional interval can be chosen to break bulk gauge symmetries and to reduce the rank of the gauge group. We consider this mechanism in models with gauge trinification. We determine the boundary conditions…
For potentially wider applications of ceramics with dislocation-tuned mechanical and functional properties, it is pertinent to achieve dislocation engineering in polycrystalline ceramics. However, grain boundaries (GBs) in general are…
We show that a baryon asymmetry can be generated by dissipative effects during warm inflation via a supersymmetric two-stage mechanism, where the inflaton is coupled to heavy mediator fields that then decay into light species through B- and…
A diffuse interface model for surfactants in multi-phase flow with three or more fluids is derived. A system of Cahn-Hilliard equations is coupled with a Navier-Stokes system and an advection-diffusion equation for the surfactant ensuring…
I use the method of classical density-functional theory in the weighted-density approximation of Tarazona to investigate the phase diagram and the interface structure of a two-dimensional lattice-gas model with three phases -- vapour,…
We characterize both analytically and numerically short-range forces between spatially diffuse interfaces in multi-phase-field models of polycrystalline materials. During late-stage solidification, crystal-melt interfaces may attract or…
We study the boundary physics of bulk insulators by considering three coupled Hubbard chains in a linear confining potential. In the Hartree-Fock approximation, the ground state at and slightly off the particle-hole symmetric point remains…
The hydrodynamic phase field model is applied to the problem of film spreading on a solid surface. The disjoining potential, responsible for modification of the fluid properties near a three-phase contact line, is computed from the…
The contact line (CL) is where solid, liquid and vapor phases meet, and Young's equation describes the macroscopic force balance of the interfacial tensions between these three phases. These interfacial tensions are related to the nanoscale…
Using a recently developed continuum theory of dislocation dynamics, we derive three new predictions about plasticity and grain boundary formation in crystals. (1) There will be a residual stress jump across grain boundaries and…
High quality epitaxial NbN/MgO/NbN Josephson junctions have been realized with MgO barriers up to a thickness of d=1 nm. The junction properties coherently scale with the size of barrier, and low critical current densities down to 3…
The Third Law of Thermodynamics constrains the phase diagram of{systems with a first-order quantum phase transition. For zero conjugate field, the coexistence curve has an infinite slope at T=0. If a tricritical point exists at T>0, then…
Systematic microstructure design requires reliable thermodynamic descriptions of each and all microstructure elements. While such descriptions are well established for most bulk phases, thermodynamic assessment of crystal defects is…
Tackling the low-temperature fate of supercooled liquids is challenging due to the immense timescales involved, which prevent equilibration and lead to the operational glass transition. Relating glassy behaviour to an underlying,…
The structure and energy of grain boundaries (GBs) are essential for predicting the properties of polycrystalline materials. In this work, we use high-throughput density functional theory calculations workflow to construct the Grain…
Mg alloys are promising lightweight structural materials due to their low density and excellent mechanical properties. However, their limited formability and ductility necessitate improvements in these properties, specifically through…
Grain boundary (GB) migration exhibits intriguing anti-thermal behavior (or non-Arrhenius behavior), with the temperature and driving force playing crucial roles. Through atomistic simulations on nickel bicrystals, we investigate the change…