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The mechanism of diffusion in supercooled liquids is investigated from the potential energy landscape point of view, with emphasis on the crossover from high- to low-T dynamics. Molecular dynamics simulations with a time dependent mapping…
Exposure of metal surfaces to multiple ultrashort laser pulses under certain conditions leads to the formation of well-defined periodic surface structures. We show how the period of such structures in steel can be tuned over a wide range by…
The ability to controllably manipulate the complex topological polar configurations, such as polar flux-closure via external stimuli, enables many applications in electromechanical devices and nanoelectronics including high-density…
Molecular orientation fluctuations in ferroelectric smectic liquid crystals produce space charges, due to the divergence of the spontaneous polarization. These space charges interact with mobile ions, so that one must consider the coupled…
We make a phenomenological model of optical two-beam interaction in a model planar liquid crystal cell. The liquid crystal is subject to homeotropic anchoring at the cell walls, is surrounded by thin photosensitive layers, and is subject to…
A theoretical treatment of deeply supercooled liquids is difficult because their properties emerge from spatial inhomogeneities that are self-induced, transient, and nanoscopic. I use computer simulations to analyse self-induced static and…
Focused ion beam (FIB) techniques have been frequently used to section metal-halide perovskites for microstructural investigations. However, the ion beams directly irradiated to the sample surface may alter the properties far different from…
The phenomena of crystal size changes and structural phase transitions induced by light irradiation have garnered significant interest due to their potential for tuning and controlling a wide range of material properties through highly…
We present the results from an extensive atomistic molecular dynamics simulation study of poly(ethylene oxide) (PEO) doped with various amounts of lithium-bis(trifluoromethane)sulfonimide (LiTFSI) salt under the influence of external…
Molecular hydrogen ions are of metrological relevance due to the possibility of precise theoretical evaluation of their spectrum and of external-field-induced shifts. We report the results of the calculations of the rate of laser-induced…
We show that transient supersolid quantum states of Rydberg-excitations can be created dynamically from a Mott insulator of ground state atoms in a 2D optical-lattices by irradiating it with short laser pulses. The structure of these…
Laser excitation has emerged as an effective tool for probing microscopic interactions and manipulating phases of matter. Among charge density wave (CDW) materials, 1T-TaS2 has garnered significant attention due to its diverse stacking…
We use multi-scale modeling to analyze laser-induced fluorescence (LIF) measurements of the CO oxidation reaction over Pd(100) at near-ambient reaction conditions. Integrating density-functional theory based kinetic Monte Carlo simulations…
Oxide heterointerfaces constitute a rich platform for realizing novel functionalities in condensed matter. A key aspect is the strong link between structural and electronic properties, which can be modified by interfacing materials with…
We explore the laser-induced ionization dynamics of N2 and CO2 molecules subjected to a few-cycle, linearly polarized, 800\,nm laser pulse using effective two-dimensional single active electron time-dependent quantum simulations. We show…
Hydrogen-associated filling-controlled Mottronics within electron-correlated system provides a groundbreaking paradigm to explore exotic physical functionality and phenomena. Dynamically controlling hydrogen-induced phase transitions…
Spontaneous symmetry breaking and formation of self-organized structures in nonlinear systems are intriguing and important phenomena in nature. Advancing such research to new nonlinear optical regimes is of much interest for both…
Polarons - fermionic charge carriers bearing a strong companion lattice deformation - exhibit a natural tendency for self-localization due to the recursive interaction between electrons and the lattice. While polarons are ubiquitous in…
The coupling of excited states and ionic dynamics is the basic and challenging point for the materials response at extreme conditions. In laboratory, the intense laser produces transient nature and complexity with highly nonequilibrium…
Directional motion is commonly observed in various living active systems, such as bacterial colonies moving through confined environments. In these systems, the dynamics arise from the collective effects of mutual interactions between…