Dislocation nucleation governed softening and maximum strength in nano-twinned metals

In conventional metals, there is plenty of space for dislocations-line defects whose motion results in permanent material deformation-to multiply, so that the metal strengths are controlled by dislocation interactions with grain boundaries(1,2) and other obstacles(3,4). For nano-structured materials, in contrast, dislocation multiplication is severely confined by the nanometre-scale geometries so that continued plasticity can be expected to be source-controlled. Nano-grained polycrystalline materials were found to be strong but brittle(5-9), because both nucleation and motion of dislocations are effectively suppressed by the nanoscale crystallites. Here we report a dislocation-nucleation-controlled mechanism in nano-twinned metals(10,11) in which there are plenty of dislocation nucleation sites but dislocation motion is not confined. We show that dislocation nucleation governs the strength of such materials, resulting in their softening below a critical twin thickness. Large-scale molecular dynamics simulations and a kinetic theory of dislocation nucleation in nano-twinned metals show that there exists a transition in deformation mechanism, occurring at a critical twin-boundary spacing for which strength is maximized. At this point, the classical Hall-Petch type of strengthening due to dislocation pile-up and cutting through twin planes switches to a dislocation-nucleation-controlled softening mechanism with twin-boundary migration resulting from nucleation and motion of partial dislocations parallel to the twin planes. Most previous studies(12,13) did not consider a sufficient range of twin thickness and therefore missed this strength-softening regime. The simulations indicate that the critical twin-boundary spacing for the onset of softening in nano-twinned copper and the maximum strength depend on the grain size: the smaller the grain size, the smaller the critical twin-boundary spacing, and the higher the maximum strength of the material.

Nano-size Effect of Interface Energy and Its Effect on Interface Fracture

An analytical model about size-dependent interface energy of metal/ceramic interfaces in nanoscale is developed by introducing both the chemical energy and the structure stain energy contributions. The dependence of interface energy on the interface thickness is determined by the melting enthalpy, the molar volume, and the shear modulus of two materials composing the interfaces, etc. The analytic prediction of the interface energy and the atomic scale simulation of the interface fracture strength are compared with each other for Ag/MgO and Ni/Al2O3 interfaces, the fracture strength of the interface with the lower chemical interface energy is found to be larger. The potential of Ag/MgO interface related to the interface energy is calculated, and the interface stress and the interface fracture strength are estimated further. The effect of the interface energy on the interface strength and the behind mechanism are discussed.

Influence of Contact Geometry on Hardness Behavior in Nano-indentation

In this paper the influence of contact geometry, including the round tip of the indenter and the roughness of the specimen, on hardness behavior for elastic plastic materials is studied by means of finite element simulation. We idealize the actual indenter by an equivalent rigid conic indenter fitted smoothly with a spherical tip and examine the interaction of this indenter with both a flat surface and a rough surface. In the latter case the rough surface is represented by either a single spherical asperity or a dent (cavity). Indented solids include elastic perfectly plastic materials and strain hardening elastic-plastic materials, and the effects of the yield stress and strain hardening index are explored. Our results show that due to the finite curvature of the indenter tip the hardness versus indentation depth curve rises or drops (depending on the material properties of the indented solids) as the indentation depth decreases, in qualitative agreement with experimental results. Surface asperities and dents of curvature comparable to that of the indenter tip can appreciably modify the hardness value at small indentation depth. Their effects would appear as random variation in hardness.

Hydrothermal synthesis of lanthanide fluorides LnF(3) (Ln = La to Lu) nano-/microcrystals with multiform structures and morphologies

Lanthanide fluoride LnF(3) (Ln = La to Lu) nano-/microcrystals with multiform crystal structures (hexagonal and orthorhombic) and morphologies (separated elongated nanoparticles, aggregated nanoparticles, polyhedral microcrystals) were successfully synthesized by a facile, effective, and environmentally friendly hydrothermal method. X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, transmission electron microscopy, high-resolution transmission electron microscopy, and photoluminescence spectra were used to characterize the samples. The experimental results indicated that the use of NaBF4 is indispensable for obtaining LnF(3) crystal structures.

Effects of ammonia and cetyltrimethylammonium bromide (CTAB) on morphologies of ZnO nano- and micromaterials under solvothermal process

Submicrometer zinc oxide (ZnO) with different morphologies including spindle-like, pencil-like, branch rod-like and frizzy flower-like shapes, have been hydrothermally synthesized in mixed solvents of ethanol and water at 140 degrees C. It was found that the volumes of added ammonia, surfactant (cetyltrimethylammonium bromide, CTAB), and mixed solvent play crucial roles in morphological control of ZnO nanostructures. Increasing the volume of ammonia added to the reaction system, the shape of ZnO evolves from spindle into branch rod-like. Synergetic influence between CTAB and ammonia can only be observed at high concentration of ammonia.

Controlled Synthesis of Ln(3+) (Ln = Tb, Eu, Dy) and V5+ Ion-Doped YPO4 Nano-/Microstructures with Tunable Luminescent Colors

YPO4 nano/microcrystals with multiform crystal phases and morphologies, such as hexagonal nano/submicroprisms, spherical-like nanoparticles, and nanorods with different length/diameter ratios as well as tetragonal nanospindles, have been synthesized via a facile hydrothermal route. A series of controlled experiments indicate that the pH values in the initial solution, phosphorus sources, and the organic additive trisodium citrate (Cit(3-)) are responsible for crystal phase and shape determination of final products. It is found that Cit(3-) as a ligand and shape modifier has the dynamic effect by adjusting the growth rate of different facets under different experimental conditions, resulting in the formation of various geometries of the final products. The possible formation mechanisms for products with diverse architectures have been presented.

Semiconductor "nano-onions" with multifold alternating CdS/CdSe or CdSe/CdS structure

"Nano-onions" with multifold alternating CdS/CdSe or CdSe/CdS structure have been synthesized via a two-phase approach. The influences of shell on photoluminescence (PL) quantum yields (QYs) and PL lifetimes are investigated and discussed. It is found that the outmost shell plays an important role in the PL QYs and PL lifetimes of the multishells "onion-like" nanocrystals. The PL QYs and PL lifetimes fluctuate regularly with CdSe and CdS shells. The PL QY increases when the nanocrystals have an outmost CdS shell; however, it decreases dramatically with the outmost CdSe shell. The trend of the change of PL lifetimes is consistent with that of the QYs. The crystal structure and composition of the novel nano-onions are characterized by transmission electron microscopy, X-ray diffraction, and X-ray photoelectron spectra techniques.

Low-temperature molten salt synthesis and characterization of CoWO4 nano-particles

CoWO4 nano-particles were successfully synthesized at a low temperature of 270 degrees C by a molten salt method, and effects of such processing parameters as holding time and salt quantity on the crystallization and development Of CoWO4 crystallites were initially studied. The products were characterized by X-ray diffraction (XRD), transmission electron microscopy (TEM). and photoluminescent spectra techniques (PL), respectively. Experimental results showed that the well-crystallized CoWO4 nano-particles with ca. 45 nm in diameter could be obtained at 270 degrees C for a holding time of 8 h with 6:1 mass ratio of the salt to CoWO4 precursor, and XRD analysis evidenced that the as-prepared sample was a pure monoclinic phase Of CoWO4 with wolframite structure. Their PL spectra revealed that the CoWO4 nano-particles displayed a very strong PL peak at 453 nm with the excitation wavelength of 230 nm, and PL properties of CoWO4 crystallites relied on their crystalline state, especially on their particle size. (C) 2009 Elsevier B.V. All rights reserved.

Synthesis of NiWO4 nano-particles in low-temperature molten salt medium

Nickel tungstate (NiWO4) nano-particles were successfully synthesized at low temperatures by a molten salt method, and characterized by Xray diffraction (XRD), transmission electron microscopy (TEM) and ultraviolet visible spectra techniques (UV-vis), respectively. The effects of calcining temperature and salt quantity on the crystallization and development of NiWO4 crystallites were studied. Experimental results showed that the well-crystallized NiWO4 nano-particles with about 30 nm in diameter could be prepared at 270 degrees C with 6:1 mass ratio of the salt to NiWO4 precursor. XRD analysis confirmed that the product was a pure monoclinic phase of NiWO4 with wolframite structure. UV-vis spectrum revealed that NiWO4 nano-particles had good light absorption properties in both ultraviolet and visible light region. (C) 2009 Elsevier Ltd and Techna Group S.r.l. All rights reserved.

Formation of nano-crystalline corrosion products on Zn-Al alloy coating exposed to seawater

Hot dip Zn-Al alloy coating performs better than hot dip galvanized coating and 55% Al-Zn-Si coating as well with regard to general seawater corrosion protection. A characterization of the corrosion products on Zn-Al alloy coating immersed in dynamic aerated seawater has been performed mainly based on transmission electron microscopy (TEM) for morphological analysis and X-ray diffraction (XRD) technique for crystalline phase identification. The XRD and TEM analyses showed that the corrosion products mainly were typical nanometer Zn4CO3(OH)(6).H2O, Zn-5(OH)(8)Cl-2 and Zn6Al2CO3(OH)(16). 4H(2)O microcrystals. This probably is connected to the co-precipitation of Zn2+ and Al3+ ions caused by adsorption. Zn-Al alloy coating being suffered seawater attacks, AI(OH)(3) gel was first produced on the coating surface. Zn and Al hydroxides would co-precipitate and form double-hydroxide when the concentration of adsorbed Zn2+ ions by the newly produced gel exceeded the critical degree of supersaturation of the interphase nucleation. However, because the growth of the crystals was too low to keep in step with the nucleation, a layer of nano-crystalline corrosion products were produced on the surface of the coating finally. (C) 2001 Elsevier Science Ltd. All rights reserved.

The structure of nano sized poorly-crystalline iron oxy-hydroxides

In this thesis the structures of three nano sized poorly-crystalline iron oxy-hydroxides, feroxyhyte, ferrihydrite and schwertmannite, are studied and analyzed with the aim of clarifying some dubious structural features. The widely used Rietveld re�nement and EXAFS analysis are employed in order to address the consistency of the structural models proposed for these materials, one of which, feroxyhyte, is suggested in this thesis. Furthermore, a new computer program exploiting the Reverse Monte Carlo algorithm and the Debye Scattering Equation is presented and used in order to analyze the elusive structures of these iron oxy-hydroxides.

Avaliação das propriedades mecânicas e microestrutura de um ionómero de vidro experimental reforçado com nano partículas

Projeto de Pós-Graduação/Dissertação apresentado à Universidade Fernando Pessoa como parte dos requisitos para obtenção do grau de Mestre em Medicina Dentária