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The size-dependent phase stability of gamma-Al2O3 was studied by large-scale molecular dynamics simulations over a wide temperature range from 300 to 900 K. For the gamma-Al2O3 crystal, a bulk transformation to alpha-Al2O3 by an FCC-to-HCP…
Drawing inspiration from nature, where some organisms can control the short range order of amorphous minerals, we successfully manipulated the short range order of amorphous alumina by surface and size effects. By utilizing the Atomic Layer…
Particle tracking is a key to single-particle-level confocal microscopy observation of colloidal suspensions, emulsions, and granular matter. The conventional tracking method has not been able to provide accurate information on the size of…
We examine the effect of vacancies on the phase behavior and structure of systems consisting of hard cubes using event-driven molecular dynamics and Monte Carlo simulations. We find a first-order phase transition between a fluid and a…
Understanding crystal growth and morphology is a fundamental issue in condensed matter physics. While crystal morphology due to the distribution and dynamics of the diffusion field has been intensively studied, how the intrinsic material…
We study the kinetics of the nematic-isotropic transition in a two-dimensional liquid crystal by using a lattice Boltzmann scheme that couples the tensor order parameter and the flow consistently. Unlike in previous studies, we find the…
We report the temperature-dependent synchrotron based X-ray diffraction analysis of NASICON type Na$_3$FeCr(PO$_4$)$_3$ sample, which undergoes a symmetry-lowering structural transition from a monoclinic ($C2/c$) phase with long-range…
Nanocrystalline metals, i.e. metals with grain sizes from 5 to 50 nm, display technologically interesting properties, such as dramatically increased hardness, increasing with decreasing grain size. Due to the small grain size, direct…
Dual-phase Zr-based thin films synthesized by magnetron co-sputtering and showing competitive growth between amorphous and crystalline phases have been reported recently. In such films, the amorphous phase grows as columns, while the…
After Boltzmann and Gibbs, the notion of disorder in statistical physics relates to ensembles, not to individual states. This disorder is measured by the logarithm of ensemble volume, the entropy. But recent results about measure…
We explore the malleability of ultra-small metal nanoparticles by means of ab initio calculations. It is revealed that, when strained, such nanoparticles exhibit complex behavior, including bifurcation between slow and fast quakes of their…
A promising approach of designing mesostructured materials with novel physical behavior is to combine unique optical and electronic properties of solid nanoparticles with long-range ordering and facile response of soft matter to weak…
We perform particle resolved experimental studies on the heterogeneous crystallisation process of two compo- nent mixtures of hard spheres. The components have a size ratio of 0.39. We compared these with molecular dynamics simulations of…
Understanding the structural phase diagram of nano scale SrTiO3 has important implications on the basic physics and applications of the general class of transition metal oxide perovskites. Pressure dependent structural measurements on…
We investigate the effect of cylindrical nano-confinement on the phase behaviour of a rigid model of carbon dioxide using both molecular dynamics and well tempered metadynamics. To this aim we study a simplified pore model across a…
We study colloidal ordering and disordering on two-dimensional periodic substrates where the number of colloids per substrate minima is two or three. The colloids form dimer or trimer states with orientational ordering, referred to as…
Curved particles have been shown to stabilize a range of states with unique order in dense suspensions of colloidal bent core liquid crystals. The shape of the colloidal rods encourages the formation of curved director fields. However,…
We review theoretical explanation of mechanisms of control of uniformity in growth of nanosize particles and colloids. The nanoparticles are synthesized as nanocrystals, by burst nucleation from solution. The colloids are self-assembled by…
Nanostructured Si is the most promising high-capacity anode material to substantially increase the energy density of Li-ion batteries. Among the remaining challenges is its low rate capability as compared to conventional materials. To…
We study the ferromagnetism of La0.67Ca0.33MnO3 in bulk polycrystalline, nanocrystalline and amorphous phase. The structural change from crystalline phase to amorphous phase exhibited a systematic decrease of TC(paramagnetic to…