Ab initio pair potentials at metal-ceramic interfaces

A systematic approach is proposed to obtain the interfacial interatomic potentials. By inverting ab initio adhesive energy curves for the metal-MgO ceramic interfaces, We derive interfacial potentials between Ag and O2-, Ag and Mg2+, Al and O2-, Al and Mg2+. The interfacial potentials, obtained from this method, demonstrate general features of bondings between metal atoms and ceramic ions.

Investigation of the Mechanical Properties of Thin Films by Nanoindentation, Considering the Effects of Thickness and Different Coating-Substrate Combinations

In order to further investigate nanoindentation data of film-substrate systems and to learn more about the mechanical properties of nanometer film-substrate systems, two kinds of films on different substrate systems have been tested with a systematic variation in film thickness and substrate characteristics. The two kinds of films are aluminum and tungsten, which have been sputtered on to glass and silicon substrates, respectively. Indentation experiments were performed with a Nano Indent XP II with indenter displacements typically about two times the nominal film thicknesses. The resulting data are analyzed in terms of load-displacement curves and various comparative parameters, such as hardness, Young's modulus, unloading stiffness and elastic recovery. Hardness and Young's modulus are investigated when the substrate effects are considered. The results show how the composite hardness and Young's modulus are different for different substrates, different films and different film thicknesses. An assumption of constant Young's modulus is used for the film-substrate system, in which the film and substrate have similar Young's moduli. Composite hardness obtained by the Joslin and Oliver method is compared with the directly measured hardness obtained by the Oliver and Pharr method.

Enhanced Plasticity of Zr-Based Bulk Metallic Glass Matrix Composite with Ductile Reinforcement

A composite material containing uniformly distributed micrometer-sized Nb particles in a Zr-based amorphous matrix was prepared by suction cast. The resulting material exhibits high fractured strength over 1550 MPa and enhanced plastic strain of about 29.7% before failure in uniaxial compression test at room temperature. Studies of the serrations on the stress-strain curves and the shear bands on the fractured samples reveal that the amplitude of the stress drop of each serration step corresponds to the extent of the propagation of a single shear band through the materials. The composite exhibits more serration steps and smaller amplitude of stress drop due to the pinning of shear band propagation by ductile Nb particles.

Experimental Study on Dynamic Properties of High Strength Fiber Clusters

In this paper, the dynamic behaviors of several kinds of high strength fibers, including Kevlar, UHMPE, glass fibers, carbon fibers etc., are investigated experimentally, with a Split Hopkinson Tension Bar (SHTB). The effect of strain rate on the modulus, strength, failure strain and failure characteristics of fibers, under impact loading, is analyzed with the relative stress vs. strain curves. At the same time, the mechanism about the rate dependence of mechanical behaviors of various fibers is discussed based on the understanding on the microstructures and deformation models of materials. Some comments are also presented on the decentralization of experimental results, and a new method called traveling wave method is presented to increase the experimental accuracy. Research results obtained in this paper will benefit to understand the energy absorption and to build up the constitutive law of protective materials reinforced by high strength fibers.

Mechanical effects of the self-organization of dislocations and related critical characteristics

The effects of the dislocation pattern formed due to the self-organization of the dislocations in crystals on the macroscopic hardening and dynamic internal friction (DIF) during deformation are studied. The classic dislocation models for the hardening and DIF corresponding to the homogeneous dislocation configuration are extended to the case for the non-homogeneous one. In addition, using the result of dislocation patterning deduced from the non-linear dlislocation dynamics model for single slip, the correlation between the dislocation pattern and hardening as well as DIF is obtained. It is shown that in the case of the tension with a constant strain rate, the bifurcation point of dislocation patterning corresponds to the turning point in the stress versus strain and DIF versus strain curves. This result along with the critical characteristics of the macroscopic behavior near the bifurcation point is microscopically and macroscopically in agreement with the experimental findings on mono-crystalline pure aluminum at temperatures around 0.5T(m). The present study suggests that measuring the DIF would be a sensitive and useful mechanical means in order to study the critical phenomenon of materials during deformation.

A micromechanical damage theory for brittle materials with small cracks

For brittle solids containing numerous small cracks, a micromechanical damage theory is presented which accounts for the interactions between different small cracks and the effect of the boundary of a finite solid, and includes growth of the pre-existing small cracks. The analysis is based on a superposition scheme and series expansions of the complex potentials. The small crack evolution process is simulated through the use of fracture mechanics incorporating appropriate failure criteria. The stress-strain relations are obtained from the micromechanics analysis. Typical examples are given to illustrate the potential capability of the proposed theory. These results show that the present method provides a direct and efficient approach to deal with brittle finite solids containing multiple small cracks. The stress-strain relation curves are evaluated for a rectangular plate containing small cracks.

Scaling approach to conical indentation in elastic-plastic solids with work hardening

We derive, using dimensional analysis and finite element calculations, several scaling relationships for conical indentation in elastic-plastic solids with work hardening. Using these scaling relationships, we examine the relationships between hardness, contact area, initial unloading slope, and mechanical properties of solids. The scaling relationships also provide new insights into the shape of indentation curves and form the basis for understanding indentation measurements, including nano- and micro-indentation techniques. They may also be helpful as a guide to numerical and finite element calculations of indentation problems.

Serrated Plastic Flow in a Zr-Based Bulk Metallic Glass During Nanoindentation

We investigate plastic deformation of Zr41.2Ti13.8Cu12.5Ni10Be22.5 bulk metallic glass using depth sensing nanoindentation. Numerous serrations in the load-displacement curves during indentation, shear bands and pile-ups around the indent were observed. The results revealed that the serrated plastic flow behaviour in this alloy depends strongly on the indentation strain rate.

Marangoni-Benard instability with the exchange of evaporation at liquid-vapour interface

A new two-sided model rather than the one-sided model in previous works is put forward. The linear instability analysis is performed on the Marangoni-Benard convection in the two-layer system with an evaporation interface. We define a new evaporation Biot number which is different from that in the one-sided model, and obtain the curves of critical Marangoni number versus wavenumber. The influence of evaporation velocity and Biot number on the system is discussed and a new phenomenon uninterpreted before is now explained from our numerical results.

Interfacial microstructure and mechanical behaviour in laser clad TiCp/Ni alloy coatings

Coatings of TiCp reinforced composite have been produced by laser cladding. Two kinds of coating with different TiCp origins were investigated, i.e. undissolved TiCp and in situ TiCp. For undissolved TiCp, epitaxial growth of TiC, precipitation of CrB, and a chemical reaction occur at phase interfaces, and nanoindentation loading curves show pop in marks caused by the plastic deformation associated with crack formation or debonding of TiCp from the matrix. As for in situ TiCp, no pop in mark appears. Meanwhile, in situ TiCp produces hardness and elastic modulus values that are higher than those produced by the coating that contains undissolved TiCp.

Numerical Solutions for the Transient Flow in the Homogenous Closed Circle Reservoirs

There are many fault block fields in China. A fault block field consists of fault pools. The small fault pools can be viewed as the closed circle reservoirs in some case. In order to know the pressure change of the developed formation and provide the formation data for developing the fault block fields reasonably, the transient flow should be researched. In this paper, we use the automatic mesh generation technology and the finite element method to solve the transient flow problem for the well located in the closed circle reservoir, especially for the well located in an arbitrary position in the closed circle reservoir. The pressure diffusion process is visualized and the well-location factor concept is first proposed in this paper. The typical curves of pressure vs time for the well with different well-location factors are presented. By comparing numerical results with the analytical solutions of the well located in the center of the closed circle reservoir, the numerical method is verified.

Ab initio investigation of the elasticity and stability of aluminium

On the basis of the pseudopotential plane-wave (PP-PW) method in combination with the local density functional theory (LDFT), complete stress-strain curves for the uniaxial loading and uniaxial deformation along the [001] and [111] directions, and the biaxial proportional extension along [010] and [001] for aluminium are obtained. During the uniaxial loading, certain general behaviours of the energy versus the stretch and the load versus the stretch are confirmed; in each case, there exist three special unstressed structures: f.c.c., b.c.c., and f.c.t. for [001]; f.c.c., s.c., and b.c.c. for [111]. Using stability criteria, we find that all of these states are unstable, and always occur together with shear instability, except the natural f.c.c. structure. A Pain transformation from the stable f.c.c. structure to the stable b.c.c. configuration cannot be obtained by uniaxial compression along any equivalent [001] and [111] direction. The tensile strengths are similar for the two directions. For the higher energy barrier of the [111] direction, the compressive strength is greater than that for the [001] direction. With increase in the ratio of the biaxial proportional extension, the stress and tensile strength increase; however, the critical strain does not change significantly. Our results add to the existing ab initio database for use in fitting and testing interatomic potentials.

Research on the Temperature Field in Laser Hardening

Temperature field in the laser hardening process was numerically simulated by MSC.Marc software. The influence of energy density on laser hardening effect is analyzed. Simulation result is verified through the thermocouple temperature transducer measuring the specimen surface temperature under the laser irradiation. Experimental curves of temperature versus time are in agreement with simulation results. The simulation results can be regarded as a basis for choosing laser technological parameters.

Nonuniformity Effect of Surface-Nanocrystalline Materials in Nanoindentation Test

In the present research, microstructures of the surface-nanocrystalline Al alloy material are observed and measured based on the transmission electron microscopy (TEM) technique, and the corresponding mechanical behaviors are investigated experimentally and theoretically. In the experimental research, the nanoindentation test method is used, and the load and microhardness curves are measured, which strongly depend on the grain size and grain size nonuniformity. Two kinds of the nanoindentation test methods are adopted: the randomly selected loading point method and the continuous stiffness method. In the theoretical modeling, based on the microstructure characteristics of the surface-nanocrystalline Al alloy material, a dislocation pile-up model considering the grain size effect and based on the Mott theory is presented and used. The hardness-indent depth curves are predicted and modeled.

Substrate Effects on the Micro/Nanomechanical Properties of TiN Coatings

Nanoindentation and nanoscratch tests were performed for titanium nitride (TiN) coatings on different tool steel substrates to investigate the indentation/scratch induced deformation behavior of the coatings and the adhesion of the coating–substrate interfaces and their tribological property. In this work, TiN coatings with a thickness of about 500 nm were grown on GT35, 9Cr18 and 40CrNiMo steels using vacuum magnetic-filtering arc plasma deposition. In the nanoindentation tests, the hardness and modulus curves for TiN/GT35 reduced the slowest around the film thickness 500 nm with the increase of indentation depth, followed by TiN/9Cr18 and TiN/40CrNiMo. Improving adhesion properties of coating and substrate can decrease the differences of internal stress field. The scratch tests showed that the scratch response was controlled by plastic deformation in the substrate. The substrate plays an important role in determining the mechanical properties and wear resistance of such coatings. TiN/GT35 exhibited the best load-carrying capacity and scratch/wear resistance. As a consequence, GT35 is the best substrate for TiN coatings of the substrate materials tested.