Molecular Dynamics Simulation and Experimental Proof of Hydrogen-enhanced Dislocation Emission in Nickel

A quasi three dimensions molecular dynamic method was used to simulate the effect of hydrogen on dislocation emission and crack propagation in nickel. In situ observation in a transmission electron microscope (TEM) was used to confirm the simulation results. The simulation result indicated that hydrogen solubilized in nickel decreased the critical stress intensity for the dislocation emission, i.e., hydrogen enhanced dislocation emission. In situ observation in TEM showed that hydrogen enhanced dislocation emission and motion before the initiation of hydrogen-induced crack.

DISLOCATION EMISSION AND EQUATION OF ENERGY BARRIERS AT MODEL I CRACK TIP

The propagation for the model I crack in aluminum single crystal has been directly studied by in-situ TEM observation.The equation of energy barrier of the dislocation building-up and emission at the model I crack tip has been established by means of Peierls-Nabarro dislocation model and starting from angle of energy.By means of calculation,the critical value of spontaneous emission of the dislocations from tip of the model I crack was obtained.

Molecular Dynamics Simulation of Porous Layer-enhanced Dislocation Emission and Crack Propagation in Iron Crystal

The internal stress induced by a porous layer or passive layer can assist the applied stress to promote dislocation emission and crack propagation, e.9. when the pipeline steel is buried in the soil containing water, resulting in stress corrosion cracking （SCC）. Molecular dynamics （MD） simulation is performed to study the process of dislocation emission and crack propagation in a slab of Fe crystal with and without a porous layer on the surface of the crack. The results show that when there is a porous layer on the surface of the crack, the tensile stress induced by the porous layer can superimpose on the external applied stress and then assist the applied stress to initiate crack tip dislocation emission under lowered stress intensity KI, or stress. To respond to the corrosion accelerated dislocation emission and motion, the crack begins to propagate under lowered stress intensity KI, resulting in SCC.

Brittle-Ductile Transition of Ferroelectric Ceramics Induced by Thermally Activated Dislocation Emission

Thermally activated dislocation emission in high-temperature ferroelectric ceramics is investigated through an assumption of thermal stability and a novel analytical method. The stress intensity factor (SIF) arising from domain switching is evaluated by using a Green's function method, and the critical applied electric field intensity factor (CAEFIF) for brittle fracture at room temperature is obtained. Besides, the lowest temperature for single dislocation emission before brittle fracture is also obtained by constructing an energy balance. The multi-scale analysis of facture toughness of the ferroelectric ceramics at high temperature is carried out. Through the analysis, the CAEFIF for crack extension is recalculated. The results show that the competition and interaction effects between dislocation emission and brittle fracture are very obvious. Besides, the higher critical activation temperature, the more columns of obstacles will be overcome. Additionally, the shielding effect arising from thermally activated dislocations is remarkable, thus, the brittle-ductile transition can promote the fracture toughness of high-temperature ferroelectric ceramics.

Crack initiation ahead of piled-up of dislocations emitted from a mode Ⅱ blunt crack

In situ tensile tests in a transmission electronmicroscope(TEM)show that dislocations emitted from a modelⅡcrack tipwill form a inverse piled-up group after equilibrium or a doublepiled-up group when they meet a obstruction, e.g., grain boundary orsecond phase. A microcrack can initiates in front of the piled-upgroup of dislocations. Micromechanics analysis shows thatdislocations emitted from a modelⅡblunt crack tip can form a inversepiled-up or double piled-up group, depending upon the applied stressintensity factor K_Ⅱa, lattice friction stressτ_f and the distanceof the obstruction from the crack tip L.

Screw dislocations interacting with two asymmetrical interfacial cracks emanating from an elliptical hole

The interaction between screw dislocations and two asymmetrical interfacial cracks emanating from an elliptic hole under loads at infinity is studied. The closed-form solution is derived for complex potentials. The stress intensity factor and the critical applied stress for the dislocation emission are also calculated. In the limiting cases, well-known results can be obtained from the present solutions. Moreover, new exact solutions for a screw dislocation interacting with some complicated cracks are derived. The results show that the shielding effect increases with the increase in the length of the other cracks and the minor semi axis, but decreases with the increase of dislocation azimuth. The repulsion acting on the dislocation from the other phase and the other crack extend in the horizontal direction, which makes the dislocation emission at the crack tip take place more easily, but the minor semi axis of the elliptical hole extending in the vertical direction makes it more difficult.

TEM Study on Hydrogen-Induced Cracking of Fe_3Al Alloy

Hydrogen-induced cracking (HIC) of Fe3Al alloy was studied by in situ transmission electron microscope (TEM). Electron transparent specimens were mounted onto a constant displacement device. Stress was applied to the specimen by using a bolt through the device. The results showed that hydrogen enhanced the dislocation emission and motion in Fe3Al alloy. A dislocation free zone (DFZ) was formed following the dislocation emission. Microcrack initiated in the DFZ or at the main crack tip when the emission reached a critical extension. Hydrogen played an important role in the process of brittle fracture of Fe3Al alloy.

An investigation of corrosion-induced stress during SCC

TEM (Transmission Electron Microscope) observations show that corrosion process during stress corrosion cracking (SCC) enhances dislocation emission and motion; and microcrack of SCC initiates when the corrosion-enhanced dislocation emission and motion reaches a certain condition. The passive film or dealloyed layer formed during corrosion or SCC can induce a large tensile stress, which can assist the applied stress to enhance dislocation emission and motion, and then SCC occurs. Experiments show that the variation of SCC susceptibility of brass,α-Ti and stainless steel with the applied potential and pH value of the solution is consistent with that of the corrosion-induced additive stress. Molecular dynamics simulations show that a dealloyed layer can generate a tensile stress; and the corrosion (dealloyed layer)-induced tensile stress can assist the applied stress to enhance dislocation emission and crack propagation.

A NEW N-BODY POTENTIAL AND ITS APPLICATION

Based on the embedded atom method (EAM) proposed by Daw and Baskes and Johnson's model, this paper constructs a new N-body potential for bcc crystal Mo. The procedure of constructing the new N-body potential can be applied to other metals. The dislocation emission from a crack tip has been simulated successfully using molecular dynamics method, the result is in good agreement with the elastic solution.

Microscopic study of mode I crack tip deformation

By simulating edge dislocation emissions from a mode I crack tip along multiple inclined slip planes, the plastic zone and dislocation-free zone around the crack tip are obtained. It is found that the shape of the mode I plastic zone consists of two leaning forward loops which is better agreement with experimental observations. Except at the crack tip there are also stress peaks in front of the crack tip. A formula of the maximum peak stress as a function of the applied stress intensity factor and the friction stress has been regressed.

NUCLEATION AND GPOWTH OF FERROUS MARTENSITES

In situ observations of the nucleation and growth of ferrous martensites,including ε-, lenticular,butterfly,thin-plate and composite-plate ones at low temperature stage on optical or transmission electron microscope were carried out.The results confirmed the faulting model for the formation of ε-martensite proposed by Olso and Cohen.The grain boundaries and tri- ple points are the favourable nucleation sites for the thin plates,and their surface relief grown initially like a small needle.The lenticular martensite was observed as two stages of formation.According to the dislocation resolving reaction. (a/6)[111]_b→(a/3)[]_b+(a/2)[111]_b,the emission dislocation(=(a/2)[111]_b)acting as the dislocation source for the transition of lattice invariant shear from twinning to slip was proposed.

Influence of Dislocation Pile-Up on Main Crack Propagation in Nanocrystals in the Hydrogen Environment

The influence of material micro-defects on the main crack growth under pure shear loading is studied theoretically.The mechanism behind the initiation of micro-cracks and crack propagation induced by dislocation accumulation near the grain boundary(GB)ismainly considered,and the influence of dislocation accumulation on the main crack propagation is analyzed.The research results reveal that the initiation of micro-cracks near the GB is prior to the propagation of the main crack.In a hydrogen environment,hydrogen can cause serious embrittlement of the crack tip and promote crack growth.The energy release rate in the main crack growth direction in the dislocation emission direction is the highest.Therefore,the main crack will eventually merge with the micro-cracks at the GB along the direction of the slip band,resulting in fracture of the crystal material.The research presented in this paper provides some new information for the first stage of crack propagation and contributes to the analysis of the mechanism of crystal metal fracture.

A Dislocation-based Model for the Dynamics of Sliding Precursors

The onset of dynamic friction plays an important role in the study of sliding interfaces.Previously,the sliding precursors in the form of crack-like defects have been detected in experiments and their strain fields have been measured to be comparable to those of moving cracks.In the present work,we considered the dynamics of sliding precursors by solving the elastic problem due to a moving dislocation in a half-plane and the transient emission of a dislocation at the edge.It has been found that both the strain field of a moving dislocation and the spatiotemporal evolution agree well with those of a sliding precursor detected in experiments.The results may cast new light to the dynamics of sliding onset.