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We couple the recently developed self-learning metabasin escape algorithm, which enables efficient exploration of the potential energy surface (PES), with shear deformation to elucidate strain-rate and temperature effects on the shear…
When polydisperse granular systems are sheared, the transverse dynamics is characterized by the interplay of size segregation and diffusion. Segregation in nonuniform and confined shearing flows is studied using annular shear cell…
Three-dimensional (3D) X-ray diffraction methods were used to analyze the evolution of the load-induced rearrangements of monoclinic twin microstructures within bulk nickel-titanium specimens in 3D and across six orders of magnitude in…
We consider the roughening of small angle grain boundaries consisting of arrays of dislocations and found two transitions, corresponding to fluctuations of the dislocations along and perpendicular to the boundaries. The latter contributes…
The quasi-1D spin chain compound CuBr2 has been found to be multiferroic below TN (73.5K) under ambient pressure, in which the spontaneous electric polarization is induced by emerging spin spiral ordering propagating along b-axis. Herein we…
We present extensive computational results for the effective temperature, defined by the fluctuation-dissipation relation between the mean square displacement and the average displacement of grains, under the action of a weak, external…
The effects of thermal noise on particle rearrangements in colloidal suspensions undergoing cyclic shear are experimentally investigated using particle tracking methods. The experimental model system consists of polystyrene particles…
Nanostructured composites and nanowire arrays of traditional thermoelectrics like Bi, Bi(1-x)Sb(x) and Bi(2)Te(3) have metallic Rashba surface spin-orbit bands featuring high mobilities rivaling that of the bulk for which topological…
We study the motion of a grain boundary that separates two sets of mutually perpendicular rolls in Rayleigh-B\'enard convection above onset. The problem is treated either analytically from the corresponding amplitude equations, or…
We have systematically investigated the grain boundary (GB) angle dependence of transport properties for NdFeAs(O,F) fabricated on [001]-tilt symmetric MgO bicrystal substrates. In our previous study, NdFeAs(O,F) bicrystal films showed a…
Molecular Dynamics (MD) simulations have been carried out to investigate the deformation behaviour of <110>/{111} body centered cubic (BCC) Fe nanowires under tensile and compressive loading. An embedded atom method (EAM) potential was used…
We report a first-principles density functional theory study on the role of grain boundary and dislocation loop in H blistering in W. At low temperature, the {\Sugma}3(111) tilt grain boundary, when combined with a vacancy of vanishing…
Albeit laboratory experiments and numerical simulations have proven themselves successful in enhancing our understanding of long-living large-scale flow structures in horizontally extended Rayleigh-B\'enard convection, some discrepancies…
An investigation of turbulent boundary layers (TBLs) is presented for a NACA0012 airfoil at angles of attack 9 and 12 deg. Wall-resolved large eddy simulations (LES) are conducted for a freestream Mach number M = 0.2 and chord-based…
We report on a numerical study of the shear flow of a simple two-dimensional model of a granular material under controlled normal stress between two parallel smooth, frictional walls, moving with opposite velocities $\pm$V . Discrete…
Thermodynamic dislocation theory incorporating dislocation impediment by the grain boundaries is developed to analyze the shear test of polycrystals. With a small set of physics based material parameters, we are able to simulate the…
Through 2D granular Couette flow experiments, we probe failure and deformation of disordered solids under shear. Shear produces smooth affine deformations in such a solid and also irresversible so-called non-affine particle displacements.…
The statistical theory of flow stress, including yield strength, for polycrystalline materials under quasi-static plastic deformation suggested in [arxiv:1803.08247[cond-mat.mtr-sci], arxiv:1805.08623[cond-mat.mtr-sci]] is developed in the…
Finite-temperature Drude weight (spin stiffness) D(T) is evaluated within the anisotropic spin-1/2 Heisenberg model on a chain using the exact diagonalization for small systems. It is shown that odd-side chains allow for more reliable…
In the present study, molecular dynamics (MD) simulations have been performed to understand the effect of nanowire size, temperature and strain rate on the variations in dislocation density and deformation mechanisms in $<$100$>$ Cu…