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We introduce a computational approach to estimate the hardness and stiffness of diamond surfaces and nanoparticles by studying their elastic response to atomic nanoindentation. Results of our ab initio density functional calculations…
The evolution of cluster structure with size and the critical size for the transition from cluster to nanocrystal have long been fundamental problems in nanoscience. Due to limitations of experimental technology and computational methods,…
Three different CrNi2 complexes were synthesized. They differ from each other by the nature of the terminal ligand and of the counter anion : [Cr(CN)4[CN-Ni(tetren)]2]Cl, that crystallizes in two different crystallographic systems and…
Nature offers a remarkable diversity of nanomaterials that have extraordinary functional and structural properties. Intrinsic to nature is the impressive ability to form complex ordered nanomaterials via self-organization. One particularly…
The intermetallic compound Zr3Al is severely deformed by the method of repeated cold rolling. By X-ray diffraction it is shown that this leads to amorphization. TEM investigations reveal that a homogeneously distributed debris of very small…
We report a molecular dynamics study of crystallization in highly asymmetric binary hard-sphere mixtures, in which the large spheres can form a crystal phase while the small ones remain disordered during the crystallization process of the…
Unique nanorod precipitates with a core-shell structure are found to nucleate from the grain boundaries of a bulk nanocrystalline Al-Ni-Y alloy fabricated via powder consolidation, contributing significantly to stabilization and…
The second class of high-temperature superconductors (HTSCs), iron-based pnictides and chalcogenides, necessarily contain Fe$_2$$X_2$ ("$X$" refers to a pnictogen or a chalcogen element) layers, just like the first class of HTSCs which…
Objectives: An increasing number of CAD/CAM (computer-aided design/computer-aided manufacturing) hybrid materials have been introduced to the dental market in recent years. In addition, CAD/CAM hybrid materials for additive manufacturing…
Nucleation and growth of crystal in an oxide glass was studied in a Si B Al Zr Nd Ca Na O system. The nucleation and growth process was monitored by thermal analysis and isothermal experiments. For the Ca sample the crystallization is…
Cr-doped ZnO films were fabricated by a new but feasible method, that is, annealing Cr-Zn layers deposited via DC magnetron sputtering in air. Microstructures of the films were investigated using X-ray diffraction, scanning electron…
Circular dichroism spectroscopy is an essential technique for understanding molecular structure and magnetic materials, but spatial resolution is limited by the wavelength of light, and sensitivity sufficient for single-molecule…
The potential utilization of two-stage sintering for the production of highly dense and pure nickel diniobate (Ni4Nb2O9) ceramics with low firing temperature was demonstrated. Effects of designed sintering conditions on phase formation,…
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…
Recent advances in theoretical structure prediction methods and high-throughput computational techniques are revolutionizing experimental discovery of the thermodynamically stable inorganic materials. Metastable materials represent a new…
An overview is given of recent advances in experimental and theoretical understanding of optical properties of ultra-thin crystal structures (graphene, phosphorene, silicene, MoS2, MoSe2 , WS2 , WSe2 , h-AlN, h-BN, fluorographene,…
In this paper, the bending and free flexural vibration behaviour of sandwich plates with carbon nanotube (CNT) reinforced facesheets are investigated using QUAD-8 shear flexible element developed based on higher-order structural theory.…
Hierarchical microstructures are often invoked to explain the high resilience and fracture toughness of biological materials such as bone and nacre. Biomimetic material models inspired by those structural arrangements face the obvious…
A complex study of aging kinetics for both coarse-grained and nanostructured by severe plastic deformation Cu -- 2 wt% Be alloy is reported. It is shown that aging of a coarse-grained alloy leads to continuous formation of nanosized CuBe…
Colloidal crystals formed by size-asymmetric binary particles co-assemble into a wide variety of colloidal compounds with lattices akin to ionic crystals. Recently, a transition from a compound phase with a sublattice of small particles to…