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The manner in which metallic glasses fail under external loading is known to correlate well with those glasses' Poisson's ratio $\nu$: low-$\nu$ (compressible) glasses typically feature brittle failure patterns with scarce plastic…
The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…
The structure of a polystyrene matrix filled with tightly cross-linked polystyrene nanoparticles, forming an athermal nanocomposite system, is investigated by means of a Monte Carlo sampling formalism. The polymer chains are represented as…
Effect of small additive molecules on the structural relaxation of polymer melts is investigated via molecular dynamics simulations. At a constant external pressure and a fixed number concentration of added molecules, the variation of…
Nitrogen-vacancy (NV) centers in diamonds have been an epicenter of research for diverse applications in quantum technologies. It is therefore imperative that their fabrication techniques are well understood and characterized for the…
We theoretically study quantum size effects in the magnetic response of a spherical metallic nanoparticle (e.g. gold). Using the Jellium model in spherical coordinates, we compute the induced magnetic moment and the magnetic susceptibility…
We report actuation and detection of gigahertz-range resonance frequencies in nano-crystalline diamond mechanical resonators. High order transverse vibration modes are measured in coupled-beam resonators exhibiting frequencies up to 1.441…
Electronic and optical properties of silver clusters were calculated using two different \textit{ab initio} approaches: 1) based on all-electron full-potential linearized-augmented plane-wave method and 2) local basis function…
The scaling of friction with the contact size $A$ and (in)commensurabilty of nanoscopic and mesoscopic crystals on a regular substrate are investigated analytically for triangular nanocrystals on hexagonal substrates. The crystals are…
The spontaneous Hall effect is usually governed by three conventional mechanisms, such as the Berry curvature, skew scattering and side jump, which widely exist in ferromagnetic or antiferromagnetic materials. However, in this work, based…
When grains are added to a cylinder, the weight at the bottom is smaller than the total weight of the column, which is partially supported by the lateral walls through wall/grain frictional forces. This is known as the Janssen effect. Via a…
The mechanical properties of metallic nanostructures are governed not only by topology but also by crystal symmetry and face-specific surface physics, which are typically absent from continuum topology optimization. We develop an…
Results of Small-Angle Scattering study of diamonds with various types of point and extended defects and different degrees of annealing are presented. It is shown that thermal annealing and/or mechanical deformation cause formation of…
Conventional crystalline alloys usually possess a low atomic size difference in order to stabilize its crystalline structure. However, in this article, we report a single phase chemically complex alloy which possesses a large atomic size…
A parallelized hybrid Monte Carlo (HMC) methodology is devised to quantify the microstructural evolution of polycrystalline material under elastic loading. The approach combines a time explicit material point method (MPM) for the mechanical…
Diamond holds significant promise for a wide range of applications due to its exceptional physicochemical properties. Investigating the controlled diamond preparation from nanocarbon precursors with varying dimensions is crucial to optimize…
We report fabrication of highly flexible micron-sized helices from nanometer-thick ribbons. Building upon the helical coiling of such ultra-thin ribbons mediated by surface tension, we demonstrate that the enhanced creep properties of…
Due to the complex characteristics of bottle-brush polymers, it became a challenge to develop an efficient algorithm for studying such macromolecules under various solvent conditions or some constraints in the space by using computer…
Morphology and its stability are essential features to address physicochemical properties of metallic nanoparticles. By means of Molecular Dynamics based simulations we show a complex dependence on the size and material of common structural…
We present a high-throughput nanoindentation study of in-situ bending effects on incipient plastic deformation behavior of polycrystalline and single-crystalline pure aluminum and pure copper at ultra-nano depths (<200nm). We find that…