Molecular Dynamics Simulation of Thermal and Mechanical Properties of Polyimide-Carbon-Nanotube Composites

An aromatic polyimide and its mixture with randomly distributed carbon nanotubes (NTs) are simulated by using molecular dynamics, repeated energy minimization and cooling processes. The glass transition temperatures are identified through volume-temperature curves. Stress-strain curves, Young's moduli, densities and Poisson ratios are computed at different temperatures. It is demonstrated that the carbon NT reduces the softening effects of temperature on mechanical properties and increases the ability to resist deformation.

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.

Failure of SiC particulate-reinforced metal matrix composites induced by laser thermal shock

Thermal failure of SiC particulate-reinforced 6061 aluminum alloy composites induced by both laser thermal shock and mechanical load has been investigated. The specimens with a single-edge notch were mechanically polished to 0.25 mm in thickness. The notched-tip region of the specimen is subjected to laser beam rapid heating. In the test, a pulsed Nd:glass laser beam is used with duration 1.0 ms or 250 mu s, intensity 15 or 70 kW/cm(2), and spot size 5.0 mm in diameter. Threshold intensity was tested and fracture behavior was studied. The crack-tip process zone development and the microcrack formation were macroscopically and microscopically observed. It was found that in these materials, the initial crack occurred in the notched-tip region, wherein the initial crack was induced by either void nucleation, growth, and subsequent coalescence of the matrix materials or separation of the SiC particulate-matrix interface. It was further found that the process of the crack propagation occurred by the fracture of the SiC particulates.

On the Formation of Periodic Segmentation Cracks in a Coating Plated on a Substrate with Periodic Subsurface Inclusions

The mechanism of the formation of periodic segmentation cracks of a coating plated on a substrate with periodic subsurface inclusions (PSI) is investigated. The internal stress in coating and subsequently the strain energy release rate (SERR) of the segmentation cracks are computed with finite element method (FEM). And the effect of the geometrical parameters of the PSI is studied. The results indicate that the ratio of the width of the inclusion to the period of the repeated structure has an optimum value, at which the maximum internal tensile stress and SERR arise. On the other hand, the ratio of the max-thickness of the inclusion to the thickness of the coating has a threshold value, above which the further increase of this ratio should seldom influence the internal stress or the SERR.

Evaluation of the Interfacial Adhesion between Brittle Coating and Ductile Substrate by Cross-Secitional Indention

The cross-sectional indentation method is extended to evaluate the interfacial adhesion between brittle coating and ductile substrate. The experimental results on electroplated chromium coating/steel substrate show that the interfacial separation occurs due to the edge chipping of brittle coating. The corresponding models are established to elucidate interfacial separation processes. This work further highlights the advantages and potential of this novel indentation method.

In situ formation by laser cladding of a TiC composite coating with a gradient distribution

An in situ method was developed to produce an Ni alloy composite coating reinforced by in situ reacted TiC particles with a gradient distribution, using one-step laser cladding with a pre-placed powder mixture on a 5CrMnMo steel substrate. Dispersed and ultra-fine TIC particles were formed in situ in the coating. Most. of the TiC particles, with a marked gradient distribution, were uniformly distributed within interdendritic regions because of the trapping effect of the advancing solid-liquid interface. In addition, the TiC-gamma-Ni interfaces generated in situ were found to be free from any deleterious surface reaction. Finally, the microhardness also showed a gradient variation, with the highest value of 1250 Hv0.2 and the wear properties of the coating were significantly enhanced.

Novel Fe70Zr10Ni6Al4Si6B4 thick metallic glass coating produced by laser cladding

A novel multicomponent thick metallic glass coating has been synthesised by laser cladding. The maximum coating thickness was I mm. The clad cooling rate restrained the epitaxial growth of dendrites in the metallic glass coating. The metallic glass had high glass forming ability with a wide supercooled liquid region ranging from 59 to 70 K. The metallic glass coating also revealed high hardness and good corrosion resistance.

Glass Transition and Thermal Stability of Hard Magnetic Bulk NdAlFeCo Metallic Glass

Glass transition and thermal stability of bulk Nd60Al10Fe20Co10 metallic glass were investigated by means of dynamic mechanical thermal analysis (DMTA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electronic microscopy (SEM). The glass transition temperature, not revealed by DSC, is alternatively determined by DMTA via storage modulus E' and loss modulus E" measurement to be 498 K at a heating rate of 0.167 K s (-1). The calculated reduced glass transition temperature (T-g/T-m) is 0.63. The large value of T-g/T-m of this alloy is consistent with its good glass-forming ability. The crystallization process of the metallic glass is concluded as follows: amorphous --> amorphous + metastable FeNdAl phase --> amorphous + primary delta-FeNdAl phase --> primary delta-phase + eutectic delta-phase + Nd3Al + Nd3Co. The appearance of hard magnetism in this alloy is ascribed to the presence of amorphous phase with highly relaxed structure. The hard magnetism disappeared after the eutectic crystallization of the amorphous phase. (C) 2002 Elsevier Science B.V. All rights reserved.

A Molecular Dynamics Simulation: the Effect of Finite Size on the Thermal Conductivity in a Single Crystal Silicon

Non-equilibrium molecular dynamics (NEMD) simulations are performed to calculate thermal conductivity. The environment-dependent interatomic potential (EDIP) potential on crystal silicon is adopted as a model system. The issues are related to nonlinear response, local thermal equilibrium and statistical averaging. The simulation results by non-equilibrium molecular dynamics show that the calculated thermal conductivity decreases almost linearly as the film thickness reduced at the nanometre scale. The effect of size on the thermal conductivity is also obtained by a theoretic analysis of the kinetic theory and formulas of the heat capacity. The analysis reveals that the contributions of phonon mean free path (MFP) and phonon number in a finite cell to thermal conductivity are very important.

Nonequilibrium microstructures and phase evolutions of an iron-based laser clad coating

The microstructural and compositional features of the laser-solidified microstructures and phase evolutions occurring during high temperature tempering were investigated by using analytical electron microscopy with energy dispersive X-ray analysis. The cladded alloy, a powder mixture of Fe, Cr, W, Ni and C with a weight ratio of 10:5:1:1:1, was processed with a 3 kW continuous wave CO2 laser. The cladded coating possessed the hypoeutectic microstructure of the primary dendritic gamma-austenite and interdendritic eutectic consisting of (gamma+M7C3). The gamma-austenite is a nonequilibrium phase with extended solid solution of alloying elements. And, a great deal of fine structures, i.e., a high density of dislocations, twins, and stacking faults existed in austenite phase. During high temperature aging, the precipitation of M23C6, MC and M2C in austenite and in situ transformation of M7C3(+gamma) --> M23C6 and M7C3+gamma --> M6C occurred. The laser clad coating revealed an evident secondary hardening and superior impact wear resistance.

Rapidly solidified nonequilibrium microstructure and phase transformation of laser-synthesized iron-based alloy coating

The rapidly solidified microstructural and compositional features, the precipitation and transformation of carbides during tempering, and the impact wear resistance of an iron-based alloy coating prepared by laser cladding are investigated. The clad coating alloy, a powder mixture of Fe, Cr, W, Ni, and C with a weight ratio of 10:5:1.1.1, is processed using a continuous wave CO, laser. Microstructural studies demonstrate that the coating possesses the hypoeutectic microstructure comprising the primary dendritic gamma-austenite and interdendritic eutectic consisting of gamma-austenite and M7C3 carbides. gamma-Austenite is a non-equilibrium phase with an extended solid solution of alloying elements. During high temperature tempering at 963 K for 1 h, the precipitation of M23C6, MC and M2C carbides in austenite and in situ carbide transformation of M7C3 to M23C6 and M7C3 to M6C respectively are observed. In addition, the microstructure of the laser-clad coating reveals an evident secondary hardening and a superior impact wear resistance.

Thermal fracture characteristics induced by laser beam

The damage mechanism of a cracked material due to laser beam thermal shock is an important problem when the interactions of high power laser beam with materials are studied. The transient thermal stress intensity factors (TSIFs) for a center crack in an infinite plate subjected to laser beam thermal shock are investigated. When the crack is in the heat affected zone, the compressive thermal stress causes the crack surface to come into contact with each other over a certain contact length, but the high tensile stresses around the crack tip tend to open the crack. In this case, the problem may be treated as a pair of embedded cracks problem with a smooth closure condition of the center crack. The TSIFs and the crack contact lengths are calculated with different laser beam spatial shapes. The TSIFs induced by thermal shock are in marked different from those induced by general mechanical loading.

On The Cyclic Bending Behaviour Of A Hard Coating On A Ductile Substrate With Periodic Surface Hardened Regions

A cyclic bending experiment is designed to investigate the interface fracture behaviour of a hard chromium coating on a ductile substrate with periodic surface hardened regions. The unique deflection pattern of the vertical cracks after they run through the coating and impinge at the interface is revealed experimentally. A simple double-layer elastic beam model is adopted to investigate the interfacial shear stresses analytically. A FE model is employed to compute the stresses of the tri-phase structure under a single round of bending, and to investigate the effect of the loading conditions on the deflection pattern of the vertical cracks at the interface. (C) 2008 Elsevier Ltd. All rights reserved.

Thermal Conductivity Of Composites With Nanoscale Inclusions And Size-Dependent Percolation

An analytical model for thermal conductivity of composites with nanoparticles in a matrix is developed based on the effective medium theory by introducing the intrinsic size effect of thermal conductivity of nanoparticles and the interface thermal resistance effect between two phases. The model predicts the percolation of thermal conductivity with the volume fraction change of the second phase, and the percolation threshold depends on the size and the shape of the nanoparticles. The theoretical predictions are in agreement with the experimental results.

Comparison Of Shear Banding In Bmgs Due To Thermal-Softening And Free Volume Creation

This paper reports a comparative study of shear banding in BMGs resulting from thermal softening and free volume creation. Firstly, the effects of thermal softening and free volume creation on shear instability are discussed. It is known that thermal softening governs thermal shear banding, hence it is essentially energy related. However, compound free volume creation is the key factor to the other instability, though void-induced softening seems to be the counterpart of thermal softening. So, the driving force for shear instability owing to free volume creation is very different from the thermally assisted one. In particular, long wave perturbations are always unstable owing to compound free volume creation. Therefore, the shear instability resulting from coupled compound free volume creation and thermal softening may start more like that due to free volume creation. Also, the compound free volume creation implies a specific and intrinsic characteristic growth time of shear instability. Finally, the mature shear band width is governed by the corresponding diffusions (thermal or void diffusion) within the band. As a rough guide, the dimensionless numbers: Thermal softening related number B, Deborah number (denoting the relation of instability growth rate owing to compound free volume and loading time) and Lewis number (denoting the competition of different diffusions) show us their relative importance of thermal softening and free volume creation in shear banding. All these results are of particular significance in understanding the mechanism of shear banding in bulk metallic glasses (BMGs).