Pressure and thermal effects on elastic properties of single crystal alpha-Al2O3 from Monte-Carlo simulation

A rectangular structural unit cell of a-Al2O3 is generated from its hexagonal one. For the rectangular structural crystal with a simple interatomic potential [Matsui, Mineral Mag. 58A, 571 (1994)], the relations of lattice constants to homogeneous pressure and temperature are calculated by using Monte-Carlo method at temperature 298K and 0 GPa, respectively. Both numerical results agree with experimental ones fairly well. By comparing pair distribution function, the crystal structure of a-Al2O3 has no phase transition in the range of systematic parameters. Based on the potential model, pressure dependence of isothermal bulk moduli is predicted. Under variation of general strains, which include of external and internal strains, elastic constants of a-Al2O3 in the different homogeneous load are determined. Along with increase of pressure, axial elastic constants increase appreciably, but nonaxial elastic constants are slowly changed.

Changes in nitrogen and phosphorus and their effects on phytoplankton in the Bohai Sea

Systematic studies of the changes in dissolved inorganic nitrogen (DIN) and dissolved inorganic phosphorus (DIP) and their effects on phytoplankton over the last 30 years in the Bohai Sea are presented. The amount of sewage disposal, use of fertilizer and the Huanghe River runoff were found to have a significant influence on the DIN or DIP concentrations in the Bohai Sea over the last 30 years. Moreover, the changes in DIN and DIP resulted in changes in the limiting nutrients of phytoplankton in the Bohai Sea from nitrogen in the early 1980s to nitrogen-phosphorus in the late 1980s, and then to phosphorus after the 1990s. In addition, changes in nitrogen and phosphorus had a significant effect on the phytoplankton community structure. The half saturation constant (K (s)) was used to evaluate the effect of nutrients on the phytoplankton community structure in the Bohai Sea over the last 30 years. Cell abundance percentages of dominant phytoplankton species with high K (s) values for phosphorus and low K (s) values for nitrogen have decreased since the 1980s, while those of dominant phytoplankton species with low K (s) values for phosphorus and high K (s) values for nitrogen increased during this period.

Damage of a high-energy solid propellant and its effects on combustion

In order to improve the safety of high-energy solid propellants, a study is carried out for the effects of damage on the combustion of the NEPE (Nitrate Ester Plasticized Polyether) propellant. The study includes: (1) to introduce damage into the propellants by means of a large-scale drop-weight apparatus; (2) to observe microstructural variations of the propellant with a scanning electron microscope (SEM) and then to characterize the damage with density measurements; (3) to investigate thermal decomposition; (4) to carry out closed-bomb tests. The NEPE propellant can be considered as a viscoelastic material. The matrices of damaged samples axe severely degraded, but the particles are not. The results of the thermal decomposition and closed-bomb tests show that the microstructural damage in the propellant affects its decomposition and burn rate.

Mineral Bridges of Nacre and Its Effects

Nacre, or mother-of-pearl, is a kind of composites of aragonite platelets sandwiched between organic materials. Its excellent mechanical properties are thought to stem from the micro architecture that is traditionally described as a "brick and mortar" arrangement. In this paper, a new microstructure, referred to as mineral bridge in the biomineralization, is directly observed in the organic matrix layers (mortar) of nacre. This is an indication that the organic matrix layer of nacre should be treated as a three-dimensional interface and the micro architecture of nacre ought to be considered as a "brick-bridge-mortar" structure rather than the traditional one. Experiments and analyses show that the mineral bridges not only improve the mechanical properties of the organic matrix layers but also play an important role in the pattern of the crack extension in nacre.

Fracture Mechanisms And Size Effects Of Brittle Metallic Foams: In Situ Compression Tests Inside Sem

In situ compressive tests on specially designed small samples made from brittle metallic foams were accomplished in a loading device equipped in the scanning electron microscopy (SEM). Each of the small samples comprises only several cells in the effective test zone (ETZ), with one major cell in the middle. In such a system one can not only obtain sequential collapse-process images of a single cell and its cell walls with high resolution, but also correlate the detailed failure behaviour of the cell walls with the stress-strain response, therefore reveal the mechanisms of energy absorption in the mesoscopic scale. Meanwhile, the stress-strain behaviour is quite different from that of bulk foams in dimensions of enough large, indicating a strong size effect. According to the in situ observations, four failure modes in the cell-wall level were summarized, and these modes account for the mesoscopic mechanisms of energy absorption. Paralleled compression tests on bulk samples were also carried out, and it is found that both fracturing of a single cell and developing of fracture bands are defect-directed or weakness-directed processes. The mechanical properties of the brittle aluminum foams obtained from the present tests agree well with the size effect model for ductile cellular solids proposed by Onck et al. (C) 2008 Elsevier Ltd. All rights reserved.

Small scale, grain size and substrate effects in nano-indentation experiment of film-substrate systems

The mechanical properties of film-substrate systems have been investigated through nano-indentation experiments in our former paper (Chen, S.H., Liu, L., Wang, T.C., 2005. Investigation of the mechanical properties of thin films by nano-indentation, considering the effects of thickness and different coating-substrate combinations. Surf. Coat. Technol., 191, 25-32), in which Al-Glass with three different film thicknesses are adopted and it is found that the relation between the hardness H and normalized indentation depth h/t, where t denotes the film thickness, exhibits three different regimes: (i) the hardness decreases obviously with increasing indentation depth; (ii) then, the hardness keeps an almost constant value in the range of 0.1-0.7 of the normalized indentation depth h/t; (iii) after that, the hardness increases with increasing indentation depth. In this paper, the indentation image is further investigated and finite element method is used to analyze the nano-indentation phenomena with both classical plasticity and strain gradient plasticity theories. Not only the case with an ideal sharp indenter tip but also that with a round one is considered in both theories. Finally, we find that the classical plasticity theory can not predict the experimental results, even considering the indenter tip curvature. However, the strain gradient plasticity theory can describe the experimental data very well not only at a shallow indentation depth but also at a deep depth. Strain gradient and substrate effects are proved to coexist in film-substrate nano-indentation experiments. (c) 2006 Elsevier Ltd. All rights reserved.

Influence of inertial and thermal effects on the dynamic growth of voids in porous ductile materials

The influence of inertial, thermal and rate - sensitive effects on the void growth at high strain rate in a thermal - viscoplastic solid is investigated by means of a theoretical model presented in the present paper. Numerical analysis of the model suggests that inertial, thermal and rate - sensitive effects are three major factors which greatly influence the behavior of void growth in the high strain rate case. Comparison of the mathematical model proposed in the present work and Johnson's model shows that if the temperature - dependence is considered, material viscosity eta can take the experimentally measured values.

Plastic stress-strain fields and blunting effects during large deformations

Plastic stress-strain fields of two types of steel specimens loaded to large deformations are studied. Computational results demonstrate that, owing to the fact that the hardening exponent of the material varies as strain enlarges and the blunting of the crack tip, the well known HRR stress field in the plane strain model can only hold for the stage of a small plastic strain. Plastic dilatancy is shown to have substantial effects on strain distributions and blunting. To justify the constitutive equations used for analysis and to check the precision of computations, the load-deflection of a three-point bend beam and the load-elongation of an axisymmetric bar notched by a V-shaped cut were tested and recorded. The computed curves are in good accordance with experimental data.

Edge and Size Effects in Micro Composite Structure

Because of the load transfer effect of interface layer, the stress distribution inside the composite structure of film/substrate can be very different from the Timoshenko's model. In this paper, we give the derivation and analysis of such load transfer effect of shear-lag (S-L) model. The micro-structure size (boundary conditions) effect together with interface load transfer effect becomes more and more important as the microstructure size including the three dimensions of thickness, width and length shrinks. The microstructure size is also responsible for the so-called edge-induced stress. The edge effect and difference of S-L model and Timoshenko model are also demonstrated.

A thin liquid film and its effects in an atomic force microscopy measurement

Recently, it has been observed that a liquid film spreading on a sample surface will significantly distort atomic force microscopy (AFM) measurements. In order to elaborate on the effect, we establish an equation governing the deformation of liquid film under its interaction with the AFM tip and substrate. A key issue is the critical liquid bump height y(0c) at which the liquid film jumps to contact the AFM tip. It is found that there are three distinct regimes in the variation of y(0c) with film thickness H, depending on Hamaker constants of tip, sample and liquid. Noticeably, there is a characteristic thickness H* physically defining what a thin film is; namely, once the film thickness H is the same order as H* , the effect of film thickness should be taken into account. The value of H* is dependent on Hamaker constants and liquid surface tension as well as tip radius.

Direct observation of adsorption sites of protein impurities and their effects on step advancement of protein crystals

We measured noninvasively step velocities of elementary two-dimensional (2D) islands on {110} faces of tetragonal lysozyme crystals, under various supersaturations, by laser confocal microscopy combined with differential interference contrast microscopy. We studied the correlation between the effects of protein impurities on the growth of elementary steps and their adsorption sites on a crystal surface, using three kinds of proteins: fluorescent-labeled lysozyme (F-lysozyme), covalently bonded dimers of lysozyme (dimer), and a 18 kDa polypeptide (18 kDa). These three protein impurities suppressed the advancement of the steps. However, they exhibited different supersaturation dependencies of the suppression of the step velocities. To clarify the cause of this difference, we observed in situ the adsorption sites of individual molecules of F-lysozyme and fluorescent-labeled dimer (F-dimer) on the crystal surface by single-molecule visualization. We found that F-lysozyme adsorbed preferentially on steps (i.e., kinks), whereas F-dimer adsorbed randomly on terraces. Taking into account the different adsorption sites of F-lysozyme and F-dimer, we could successfully explain the different effects of the impurities on the step velocities. These observations strongly suggest that 18 kDa also adsorbs randomly on terraces. Seikagaku lysozyme exhibited a complex effect that could not alone be explained by the two major impurities (dimer and 18 kDa) present in Seikagaku lysozyme, indicating that trace amounts of other impurities significantly affect the step advancement.

Two overrun phenomena and their effects on fusion yield in the Coulomb explosion of heteronuclear clusters

Two overrun effects in the Coulomb explosion dynamics of heteronuclear clusters have been investigated theoretically by the use of a simplified electrostatic model. When the charge-to-mass ratio of light ions is higher than that of heavy ions, the light ions can overtake the heavy ions inside the cluster and acquire a higher kinetic energy. Further, if the charge density of the heavy ions is twice as high as that of the light ions, i.e. a proposed competitive parameter xi = rho BqB/rho AqA > 2, the inner light ions can overtake those light ions on the surface of the cluster and form a shock shell during the explosion, which might drive the intracluster collision and fusion of the light ions. Different regimes of nuclear fusion are discussed and the corresponding neutron yields are estimated. Our analysis indicates that the probability of intracluster fusion is quite low even if deuterated heteronuclear clusters such as (DI)(n) with large size and high competitive parameter are employed. However, heteronuclear clusters are still a better candidate compared with homonuclear clusters for enhancing the total intercluster fusion yield because both a higher energy region and a higher proportion of deuterons distributing in the energy region can be created in the deuterated heteronuclear clusters.

Anisotropic crystallographic properties, strain, and their effects on band structure of m -plane GaN on LiAlO2 (100)

The m-plane GaN films grown on LiAlO2(100) by metal-organic chemical vapor deposition exhibit anisotropic crystallographic properties. The Williamson-Hall plots point out they are due to the different tilts and lateral correlation lengths of mosaic blocks parallel and perpendicular to GaN[0001] in the growth plane. The symmetric and asymmetric reciprocal space maps reveal the strain of m-plane GaN to be biaxial in-plane compress epsilon(xx)=-0.79% and epsilon(zz)=-0.14% with an out-of-plane dilatation epsilon(yy)=0.38%. This anisotropic strain further separates the energy levels of top valence band at Gamma point. The energy splitting as 37 meV as well as in-plane polarization anisotropy for transitions are found by the polarized photoluminescence spectra at room temperature. (c) 2008 American Institute of Physics.