Numerical investigation of deformation and failure mechanisms of osteopontin-hydroxyapatite interfaces and mineralized collagen fibril arrays

This thesis is a comprehensive study of deformation and failure mechanisms in bone at nano- and micro-scale levels. It explores the mechanical behaviour of osteopontin-hydroxyapatite interfaces and mineralized collagen fibril arrays, through atomistic molecular dynamics and finite element simulations. This thesis shows some main factors contributing to the excellent material properties of bone and provides some guidelines for development of new artificial biological materials and medical implants.

Deformation and failure of graphene sheet and graphene-polymer interface

With a monolayer honeycomb-lattice of sp2-hybridized carbon atoms, graphene has demonstrated exceptional electrical, mechanical and thermal properties. One of its promising applications is to create graphene-polymer nanocomposites with tailored mechanical and physical properties. In general, the mechanical properties of graphene nanofiller as well as graphene-polymer interface govern the overall mechanical performance of graphene-polymer nanocomposites. However, the strengthening and toughening mechanisms in these novel nanocomposites have not been well understood. In this work, the deformation and failure of graphene sheet and graphene-polymer interface were investigated using molecular dynamics (MD) simulations. The effect of structural defects on the mechanical properties of graphene and graphene-polymer interface was investigated as well. The results showed that structural defects in graphene (e.g. Stone-Wales defect and multi-vacancy defect) can significantly deteriorate the fracture strength of graphene but may still make full utilization of corresponding strength of graphene and keep the interfacial strength and the overall mechanical performance of graphene-polymer nanocomposites.

Deformation and Failure of Polymer Bonded Explosives under Diametric Compression Test

The tensile deformation and failure of polymer bonded explosives (PBXs), a particulate composite, is studied in this paper. Two HMX-based PBXs with different binder were selected for study. A diametric compression test, in which a disc-shaped specimen is loaded diametrically, was chosen to generate tensile failure in the materials. The quasi-static tensile properties and the tensile creep properties were studied by using conventional displacement transducers to measure the lateral strain along the horizontal diameter. The whole-field in-plane creep deformation was measured by using the technique of high resolution moire´ interferometry. Real time microscopic examination was conducted to monitor the process of deformation and failure of PBXs by using a scanning electron microscope equipped with a loading stage. A manifold method (MM) was used to simulate the deformation and failure of PBX samples under the diametric compression test, including the crack initiation, crack propagation and final cleavage fracture. The mechanisms of deformation and failure of PBXs under diametric compression were analyzed. The diametric compression test and the techniques developed in this research have proven to be applicable to the study of tensile properties of PBXs.

Microstructure, deformation and failure of polymer bonded explosives

Polymer bonded explosives (PBXs) are highly particle filled composite materials comprised of explosive crystals and a polymeric binder (ca. 5-10% by weight). The microstructure and mechanical properties of two pressed PBXs with different binder systems were studied in this paper. The initial microstructure of the pressed PBXs and its evolution under different mechanical aggressions were studied, including quasi-static tension and compression, ultrasonic wave stressing and long-pulse low-velocity impact. Real-time microscopic observation of the PBXs under tension was conducted by using a scanning electron microscope equipped with a loading stage. The mechanical properties under tensile creep, quasi-static tension and compression were studied. The Brazilian test, or diametrical compression, was used to study the tensile properties. The influences of pressing pressures and temperatures, and strain rates on the mechanical properties of PBXs were analyzed. The mesoscale damage modes in initial pressed samples and the samples insulted by different mechanical aggressions, and the corresponding failure mechanisms of the PBXs under different loading conditions were analyzed.

Out-of-plane deformation and failure of masonry walls with various forms of reinforcement

Out-of-plane behaviour of mortared and mortarless masonry walls with various forms of reinforcement, including unreinforced masonry as a base case is examined using a layered shell element based explicit finite element modelling method. Wall systems containing internal reinforcement, external surface reinforcement and intermittently laced reinforced concrete members and unreinforced masonry panels are considered. Masonry is modelled as a layer with macroscopic orthotropic properties; external reinforcing render, grout and reinforcing bars are modelled as distinct layers of the shell element. Predictions from the layered shell model have been validated using several out-of-plane experimental datasets reported in the literature. The model is used to examine the effectiveness of two retrofitting schemes for an unreinforced masonry wall.

Deformation and failure of a film/substrate system subjected to spherical indentation: Part 1. Experimental validation of stresses and strains derived using Hankel transform technique in an elastic film/substrate system

Our concern here is to rationalize experimental observations of failure modes brought about by indentation of hard thin ceramic films deposited on metallic substrates. By undertaking this exercise, we would like to evolve an analytical framework that can be used for designs of coatings. In Part I of the paper we develop an algorithm and test it for a model system. Using this analytical framework we address the issue of failure of columnar TiN films in Part II [J. Mater. Res. 21, 783 (2006)] of the paper. In this part, we used a previously derived Hankel transform procedure to derive stress and strain in a birefringent polymer film glued to a strong substrate and subjected to spherical indentation. We measure surface radial strains using strain gauges and bulk film stresses using photo elastic technique (stress freezing). For a boundary condition based on Hertzian traction with no film interface constraint and assuming the substrate constraint to be a function of the imposed strain, the theory describes the stress distributions well. The variation in peak stresses also demonstrates the usefulness of depositing even a soft film to protect an underlying substrate.

Impact response and failure mechanisms of ultrahigh modulus polyethylene fiber composites and polyethylene fiber-carbon fiber hybrid composites

The impact response and failure mechanisms of ultrahigh modulus polyethylene (UHMPE) fiber composites and UHMPE fiber-carbon fiber hybrid composites have been investigated. Charpy impact, drop weight impact and high strain rate impact experiments have been performed in order to study the impact resistance, notch sensitivity, strain rate sensitivity and hybrid effects. Results obtained from dynamic and quasi-static measurements have been compared. Because of the ductility of UHMPE fibers, the impact energy absorption of UHMPE fiber composites is very high, thereby leading to excellent damage tolerance. By hybridizing with UHMPE fibers, the impact properties of carbon fiber composites can be greatly improved. The impact and shock failure mechanisms of these composites are discussed.

Grain Boundary Effects On Plastic Deformation And Fracture Mechanisms In Cu Nanowires: Molecular Dynamics Simulations

Metallic nanowires have many attractive properties such as ultra-high yield strength and large tensile elongation. However, recent experiments show that metallic nanowires often contain grain boundaries, which are expected to significantly affect mechanical properties. By using molecular dynamics simulations, here, we demonstrate that polycrystalline Cu nanowires exhibit tensile deformation behavior distinctly different from their single-crystal counterparts. A significantly lowered yield strength was observed as a result of dislocation emission from grain boundaries rather than from free surfaces, despite of the very high surface to volume ratio. Necking starts from the grain boundary followed by fracture, resulting in reduced tensile ductility. The high stresses found in the grain boundary region clearly play a dominant role in controlling both inelastic deformation and fracture processes in nanoscale objects. These findings have implications for designing stronger and more ductile structures and devices on nanoscale.

Effect of Stress Level on the High Temperature Deformation and Fracture Mechanisms of Ti-45Al-2Nb-2Mn-0.8 vol. pct TiB2: An In Situ Experimental Study

The effect of the applied stress on the deformation and crack nucleation and propagation mechanisms of a c-TiAl intermetallic alloy (Ti-45Al-2Nb-2Mn (at. pct)-0.8 vol. pct TiB2) was examined by means of in situ tensile (constant strain rate) and tensile-creep (constant load) experiments performed at 973 K (700 �C) using a scanning electron microscope. Colony boundary cracking developed during the secondary stage in creep tests at 300 and 400 MPa and during the tertiary stage of the creep tests performed at higher stresses. Colony boundary cracking was also observed in the constant strain rate tensile test. Interlamellar ledges were only found during the tensile-creep tests at high stresses (r>400 MPa) and during the constant strain rate tensile test. Quantitative measurements of the nature of the crack propagation path along secondary cracks and along the primary crack indicated that colony boundaries were preferential sites for crack propagation under all the conditions investigated. The frequency of interlamellar cracking increased with stress, but this fracture mechanism was always of secondary importance. Translamellar cracking was only observed along the primary crack.

Deformation and failure of welded steels used in offshore constructions

Hydrocarbons are the most common form of energy used to date. The activities involving exploration and exploitation of large oil and gas fields are constantly in operation and have extended to such hostile environments as the North Sea. This enforces much greater demands on the materials which are used, and the need for enhancing the endurance of the existing ones which must continue parallel to the explorations. Due to their ease in fabrication, relatively high mechanical properties and low costs, steels are the most widely favoured material for the construction of offshore platforms. The most critical part of an offshore structure prone to failure are the welded nodal joints, particulary those which are used within the vicinity of the splash zones. This is an area of high complex stress concentrations, varying mechanical and metallurgical properties in addition to severe North Sea environmental conditions. The main are of this work has been concerned with the durability studies of this type of steel, based on the concept of the worst case analysis, consisting of combinations of welds of varying qualities, various degrees of stress concentrations and the environmental conditions of stress corrosion and hydrogen embrittlement. The experiments have been designed to reveal significance of defects as sites of crack initiation in the welded steels and the extent to which stress corrosion and hydrogen embrittlement will limit their durability. This has been done for various heat treatments and in some experiments deformation has been forced through the welded zone of the specimens to reveal the mechanical properties of the welds themselves to provide data for finite element simulations. A comparison of the results of these simulations with the actual deformation and fracture behaviour has been done to reveal the extent to which both mechanical and metallurgical factors control behaviour of the steels in the hostile environments of high stress, corrosion, and hydrogen embrittlement at their surface.