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A cascade of phase transitions from square to hexagonal lattice is studied in 2D system of particles interacting via core-softened potential. Due to the presence of two length-scales of repulsion, different local configurations with four,…
We study homogeneous cosmological models featuring shift-symmetric scalar fields (or, superfluids) in relative motion. In the presence of anisotropy this universe generally features rotation, in the sense that the principal axes of…
Nitrogen represents an archetypal example of material exhibiting a pressure driven transformation from molecular to polymeric state. Detailed investigations of such transformations are challenging because of a large kinetic barrier between…
We perform Langevin dynamics simulations and use polygon construction method to investigate two-dimensional (2D) melting and freezing transitions in many-particle Yukawa systems. 2D melting transitions can be characterized as proliferation…
Active motion at complex fluid-fluid interfaces is a ubiquitous phenomenon in nature. However, an intriguing question that is not fully addressed is how active motion affects and gets influenced by its complex environment. Here, we design a…
I study the buckling transition under compression of a two-dimensional, hexagonal, regular elastic honeycomb. Under isotropic compression, the system buckles to a configuration consisting of a unit cell containing four of the original…
Chaotic hyperbolic dynamical systems enjoy a surprising degree of rigidity, a fact which is well known in the mathematics community but perhaps less so in theoretical physics circles. Low-dimensional hyperbolic systems are either conjugate…
The proton dynamics of a 2D water monolayer confined inside a graphene slit pore is studied in Cartesian and molecular frames of reference using molecular dynamics simulations. The vibrational density of states of the proton was calculated…
We develop a sine-Gordon model of layered systems of two-dimensional modulated surfaces and one dimensional stripes, and demonstrate that these systems can undergo a Kosterlitz-Thouless transition in which the modulations unlock as a result…
Our previous molecular dynamic simulation studies of simple two-dimensional (2D) systems \cite{matt_big} suggested that both geometrical defects (localized, large-amplitude deviations from hexagonal ordering) and topological defects…
The crossing of a transition state in a multidimensional reactive system is mediated by invariant geometric objects in phase space: An invariant hyper-sphere that represents the transition state itself and invariant hyper-cylinders that…
We consider the shape evolution of two-dimensional islands on a crystal surface in the regime where mass transport is exclusively along the island edge. A directed mass current due to surface electromigration causes the island to migrate in…
Spinodal decomposition process in the system of immiscible PbTe/CdTe compounds is analyzed as an example of a self-organizing structure. The immiscibility of the constituents leads to the observed morphological transformations like…
We use density-functional theory, of the fundamental-measure type, to study the relative stability of the biaxial nematic phase, with respect to non-uniform phases such as smectic and columnar, in fluids made of hard board-like particles…
We use molecular dynamics simulations to study the driven phases of particles such as vortices or colloids moving over a decagonal quasiperiodic substrate. In the regime where the pinned states have quasicrystalline ordering, the driven…
Experimental observations suggest that proteins follow different pathways under different environmental conditions. We perform molecular dynamics simulations of a model of the SH3 domain over a broad range of temperatures, and identify…
There has been long-standing debate about the physical state and possible phase transformations of confined liquids. In this report we show that a model confined liquid can behave both as a Newtonian liquid with very little change in its…
We present a dynamical theory of a two-dimensional martensitic transition in an elastic solid, connecting a high-temperature phase which is nondegenerate and has triangular symmetry, and a low-temperature phase which is triply degenerate…
Instability of a binary eutectic solidification front to morphological perturbations due to rejection of a ternary impurity leads to the formation of eutectic colonies. Whereas, the instability dynamics and the resultant mi- crostructural…
We construct a fast, transferable, general purpose, machine-learning interatomic potential suitable for large-scale simulations of $N_2$. The potential is trained only on high quality quantum chemical molecule-molecule interactions, no…