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The behavior of identical particles interacting through the harmonic-repulsive pair potential has been studied in 3D using molecular dynamics simulations at a number of different densities. We found that at many densities, as the…
The impact of twin boundaries (TBs) on the microstructure evolution and plastic deformation mechanisms of face-centered cubic (FCC) metals has been extensively studied since the discovery that nanotwinned materials exhibit a favorable…
Magnetic skyrmions are vortex-like spin textures, which can be manipulated by external stress or pressure via magnetoelastic effects. Here, we present the observation of isostructural phase transition in a biskyrmion host hexagonal MnNiGa…
Recent decades have witnessed the breakthroughs in utilizing electron beams as the smallest tools to tailor materials. Whereas, the manipulation of atoms in a controllable manner by the electron beams is a long-time challenge due to the…
Biologically inspired pressure actuated cellular structures can alter their shape through pressure variations. Previous work introduced a computational framework for pressure actuated cellular structures which was limited to two cell rows…
Single-layer transition metal dichalcogenides (TMDCs) can adopt two distinct structures corresponding to different coordination of the metal atoms. TMDCs adopting the T-type structure exhibit a rich and diverse set of phenomena, including…
A new type of magnonic crystals, curvature induced ones, is realized in ferromagnetic nanowires with periodically deformed shape. A magnon band structure of such crystal is fully determined by its curvature: the developed theory is well…
Aluminum nanocrystals offer a promising platform for plasmonic photocatalysis, yet a detailed understanding of their electron dynamics and consequent photocatalytic performance has been challenging thus far due to computational limitations.…
We studied the crystal and magnetic structure of Ca2RuO4 by different diffraction techniques under high pressure. The observed first order phase transition at moderate pressure (0.5 GPa) between the insulating phase and the metallic high…
In strained mechanical resonators, the concurrence of tensile stress and geometric nonlinearity dramatically reduces dissipation. This phenomenon, dissipation dilution, is employed in mirror suspensions of gravitational wave interferometers…
Using Landau-Ginsburg-Devonshire approach and available experimental results we reconstruct the thermodynamic potential of the layered ferroelectric CuInP$_2$S$_6$ (CIPS), which is expected to be applicable a wide range of temperatures and…
Over past decades, high energy X-ray diffraction techniques at synchrotron beamline offer us the unique possibility to follow concomitantly some mechanisms on the grain level in metallic materials. Crystal rotation, as one important factor…
We study the structural evolution of Sr$_3$Ir$_2$O$_7$ as a function of pressure using x-ray diffraction. At a pressure of 54 GPa at room temperature, we observe a first-order structural phase transition, associated with a change from…
A hybrid scheme between large-scale electronic structure calculations is developed and applied to nanocrystalline silicon with more than 10$^5$ atoms. Dynamical fracture processes are simulated under external loads in the [001] direction.…
Hybrid quantum systems, which combine quantum-mechanical systems with macroscopic mechanical oscillators, have attracted increasing interest as they are well suited as high-performance sensors or transducers in quantum computers. A…
In situ studies under severe plastic deformation at high pressures, employing rotational/shear diamond anvil cells (RDAC), have recently gained much interest in the high-pressure community owing to their potential applications in material…
Using numerical simulations, we study the dynamical evolution of particles interacting via competing long-range repulsion and short-range attraction in two dimensions. The particles are compressed using a time-dependent quasi-one…
Confining a colloidal crystal within a long narrow channel produced by two parallel walls can be used to impose a meso-scale superstructure of a predominantly mechanical elastic character [Chui et al., EPL 2008, 83, 58004]. When the crystal…
The crux of the present study is to analyze the Mode I crack propagation behavior in a pre-stressed monoclinic crystalline strip of finite thickness and infinite extent. The investigation focuses on the effects of collinear Griffith cracks…
Rough diamond anvils (rough-DA) are introduced to intensify all occurring processes during an in-situ study of heterogeneous compression of strongly pre-deformed Zr in diamond anvil cell (DAC). Crystallite size and dislocation density of Zr…