Related papers: Twin nucleation in Ti: A study using nudged elasti…
One of the main material properties altered by rare earth additions in magnesium alloys is texture, which can be specifically adjusted to enhance ductility and formability. The current study aims at illuminating the texture selection…
The folding pathway and rate coefficients of the folding of a knotted protein are calculated for a potential energy function with minimal energetic frustration. A kinetic transition network is constructed using the discrete path sampling…
Body-Centred Cubic (BCC) lattices with twinned meta-crystal architecture inspired by the strengthening of bulk metals have significantly improved mechanical performance; however, their deformation behaviour and underlying strengthening…
Experimental and theoretical observations have agreed that the onset of cavitation in soft materials requires higher tensile pressure than pure water. The extra tensile pressure is required since the cavitating bubble needs to overcome the…
A growing or compressed thin elastic sheet adhered to a rigid substrate can exhibit a buckling instability, forming an inward hump. Our study shows that the strip morphology depends on the delicate balance between the compression energy and…
In a nuclear reactor, the Zr-$x$Nb alloy, which is used as a structural material in the core region, is irradiated by energetic particles that cause the atoms to be displaced from their lattice sites and giving rise to crystal defects. The…
We extend the solid-state nudged elastic band method to handle a non-conserved order parameter - in particular, magnetization, that couples to volume and leads to many observed effects in magnetic systems. We apply this formalism to the…
We study scalar fields propagating on Euclidean dynamical triangulations (EDT). In this work we study the interaction of two scalar particles, and we show that in the appropriate limit we recover an interaction compatible with Newton's…
This study introduces a novel method for the deterministic fabrication of metallic nanostructures with controlled geometry and composition on suspended, single mode tapered optical nanofibers (TNFs) using a tailored Blurred Electron Beam…
A twist between two systems offers the possibility to drastically change the underlying physical properties. To that end, we study the bandstructure of twisted moir\'e potentials in detail. At sets of commensurate twisting angles, the low…
Having discovered a dimension mistake in two key formulas of the Classical Nucleation Theory (CNT) but wishing to remain in the style of this theory, we propose to approach nucleation on the basis of the Zeldovich unsteady rate formula,…
In twist-bend nematic (N\textsubscript{TB}) liquid crystals (LCs), the mean molecular orientation exhibits heliconical structure with nanoscale periodicity. On the mesoscopic scale, N\textsubscript{TB} resembles layered systems (like…
Using a microscopic approach, we revisit the problem of superconducting critical temperature change in the presence of twin boundaries. We show that both critical temperature enhancement and suppression can come purely from geometric…
To analyze the electronic band structure of a two-dimensional (2D) crystal under a commensurate perpendicular magnetic field, tight-binding (TB) Hamiltonians are typically constructed using a magnetic unit cell (MUC), which is composed of…
We consider a suspended elastic rod under longitudinal compression. The compression can be used to adjust potential energy for transverse displacements from harmonic to double well regime. The two minima in potential energy curve describe…
The compressive and post-buckling behavior of Ti2C and Ti2CO2 MXene nanosheets is studied using large-scale reactive molecular dynamics simulations. Nanosheets are subjected to uniaxial, biaxial, and shear loads to investigate their…
We quantify and explain the effects of both anti-phase boundaries and twin defects in as-transformed $\tau$-MnAl by carrying out micromagnetic simulations based closely on the results of microstructural characterization. We demonstrate that…
Faddeev equations for elastic Nd scattering have been solved using modern NN forces combined with the Tucson-Melbourne two-pion exchange three-nucleon force, with a modification thereof closer to chiral symmetry and the Urbana IX…
Linear and nonlinear energy optimizations in a tilted domain are used to unveil the main mechanisms allowing the creation of a turbulent band in a channel flow. Linear optimization predicts an optimal growth for streamwse and spanwise…
Semiflexible polymers are widely used as a paradigm for understanding structural phases in biomolecules including folding of proteins. Here, we compare bead-spring and bead-stick variants of coarse-grained semiflexible polymer models that…