Movement of edge (line) dislocations in FCC steel 310S is shown to depend on the size on nanoscale structures, based on modeling withing molecular dynamics (MD). The effect is attributed to time (and size) dependencies of pressure propagation into the medium interior. The observation is crucial in interpreting any MD studies of pressure effects since these are governed by time-dependent internal virial stresses. In particular velocity of dislocations scales well with value of local internal shear component of virial stress $S_{xy}$ and not with external shear pressure. Dynamics of stress penetration is described well within the model of damped harmonic oscillator, where characteristic oscillation frequency depends on number of crystallographic layers in direction along the wave propagation while the speed of stress propagation is the speed of sound. The minimal stress required for dislocation movement (Peierls stress) is determined to be 0.75 GPa. Pressure and temperature effects on dislocation movement are systematically investigated.
We study three structurally different states of nanocrystalline 316 steel and show that the state, where boundaries containing excess concentration of alloying elements are combined with mobile dislocations in grain interiors, allows maintaining extraordinarily high strength and remarkably enhanced plasticity. Underlying mechanisms featuring interaction between the segregations and mobile dislocations are discussed.
A steel with nominal composition Fe-28Mn-8Al-1.0C in mass percent was hot rolled at two temperatures, 1100 \degree C and 850 \degree C and subsequently aged at 550 \degree C for 24 h. The lower temperature rolling resulted in a yield strength increment of 299 MPa while still retaining an elongation to failure of over 30\%. The large improvement in strength was attributed to an increase in residual dislocation density which was retained even after the ageing heat treatment. A homogeneous precipitation of $κ$-carbides in both samples also showed that the high residual dislocation density did not…
Understanding the mechanism of martensitic transformation is of great importance in developing advanced high strength steels, especially TRansformation-Induced Plasticity (TRIP) steels. The TRIP effect leads to enhanced work-hardening rate, postponed onset of necking and excellent formability. In-situ transmission electron microscopy has been performed to systematically investigate the dynamic interactions between dislocations and alpha martensite at microscale. Local stress concentrations, e.g. from notches or dislocation pile-ups, render free edges and grain boundaries favorable nucleation s…
The statistical-thermodynamic dislocation theory developed in our earlier studies is used here in an analysis of the experimental observations of adiabatic shear banding in steel by Marchand and Duffy (1988). Employing a small set of physics-based parameters, which we expect to be approximately independent of strain rate and temperature, we are able to explain experimental stress-strain curves at six different temperatures and four different strain rates. We make a simple model of a weak notch-like disturbance that, when driven hard enough, triggers shear banding instabilities that are quantit…
The statistical-thermodynamic dislocation theory developed in previous papers is used here in an analysis of high-temperature deformation of aluminum and steel. Using physics-based parameters that we expect theoretically to be independent of strain rate and temperature, we are able to fit experimental stress-strain curves for three different strain rates and three different temperatures for each of these two materials. Our theoretical curves include yielding transitions at zero strain in agreement with experiment. We find that thermal softening effects are important even at the lowest temperat…
A relative contribution to irradiation hardening caused by dislocation loops and solute-rich precipitates is established for RPV steels of WWER-440 and WWER-1000 reactors, based on TEM measurements and mechanical testing at reactor operating temperature of 563 K. The pinning strength factors evaluated for loops and precipitates are shown to be much lower than those obtained for model alloys based on the room temperature testing as well as those evaluated by means of atomistic simulations in the temperature range of 300 to 600 K. This discrepancy is explained in the framework of a model of ther…
Additive manufacturing (AM) by laser powder bed fusion (L-PBF) leads to the formation of a rich, hierarchical microstructure, including dislocation cell structures and elemental segregation. This structure has profound impacts on the corrosion behavior and mechanical properties of printed materials. In this study, we use in situ liquid cell scanning transmission electron microscope (STEM) to directly characterize the nanoscale origins of corrosion initiation in AM 316L stainless steel. Under applied anodic potentials, we found that the dislocation cellular boundaries were preferentially corrod…
A recently developed reduced activation ferritic/martensitic steel MNHS was irradiated with 200keV He ions to a fluence of 1E21ions/m^2 at 450 celsius degree and 1E20ions/m^2 at 300 celsius degree and 450 celsius degree, respectively. The irradiation hardening of the steel was investigated by nanoindentation measurements combined with transmission electron microscopy (TEM) analysis. Dispersed barrier-hardening (DBH) model was applied to predict the hardness increments based on TEM analysis. The predicted hardness increments are consistent with the values obtained by nanoindentation tests. It i…
A recently presented model is adapted to predict the effects of strain path change on the strain aging (bake hardening) behaviour of an ultra low carbon (ULC) steel. Samples pre-deformed by rolling were aged and then tested in uniaxial tension at 0, 45 and 90$^\circ$ degrees to the prior rolling direction. The results show that aging changes not only the yield strength of the material but also the work hardening rate. The increase in yield strength is interpreted to be dominated by a reduction in mobile dislocation density, this reflecting the classic ideas of Hahn and others. The change in wo…
Metals are important structural materials for transport and the built environment. Low carbon steels can fail through strain localisation due to the role of interstitial solute atoms (such as carbon and nitrogen) interacting with mobile dislocations, and this gives rise to the Portevin-Le Chatelier effect and the formation of Luders bands. In this work, we use in-situ tensile testing and observation with High Angular Resolution Electron Back Scatter Diffraction (HR-EBSD) to explore deformation patterning in two Interstitial Free (IF) steel samples. One of these steels was heat treated to trigg…
Unlike the vast amount of irradiated material data that exists for stainless steel internals from LWRs, with high fast neutron flux and an irradiation temperature of~330oC, the CANDU reactor is unique with a high thermal spectrum stainless steel components peripheral to the core. In particular, the CANDU design contains an austenitic stainless steel calandria vessel, which contains the heavy water moderator at a temperature of 60-80oC. This article explores the effects of low (60-80oC) and moderate (300-360oC) irradiation temperature on irradiation induced defects and defect sinks, both in ter…
Mn-Ni-Si precipitates (MNSPs) are known to be responsible for irradiation-induced hardening and embrittlement in structural alloys used in nuclear reactors. Studies have shown that precipitation of the MNSPs in 9-Cr ferritic-martensitic (F-M) alloys, such as T91, is strongly associated with heterogeneous nucleation on dislocations, coupled with radiation-induced solute segregation to these sinks. Therefore it is important to develop advanced predictive models for Mn-Ni-Si precipitation in F-M alloys under irradiation based on an understanding of the underlying mechanisms. Here we use a cluster…
Many systems where a liquid metal is in contact with a polycrystalline solid exhibit deep liquid grooves where the grain boundary meets the solid-liquid interface. For example, liquid Ga quickly penetrates deep into grain boundaries in Al, leading to intergranular fracture under very small stresses. We report on a series of molecular dynamics simulations of liquid Ga in contact with an Al bicrystal. We identify the mechanism for liquid metal embrittlement, develop a new model for it, and show that is in excellent agreement with both simulation and experimental data.
It was experimentally confirmed that if steel cyclic stress reduces to less than tensile yield stress values, i.e. in case of high-cycle fatigue, the mechanism of fracture changes from dislocation to vacancy one. This conclusion was based on the fact that steel density determined by the method of liquid displacement is less than that of steel in both initial condition and after fracture under the cyclic loads exceeding tensile yield stress values. In the latter case steel hardness increases, whereas the steels fractured under the cyclic stresses less than their tensile yield stress values show…
Plastic flow behavior of low carbon steel has been studied at room temperature during tensile deformation by varying the initial strain rate of 3.3x10e-4 1/sec to the final strain rate ranging from 1.33x10e-3 1/sec to 2.0x10e-3 1/sec at a fixed engineering strain of 12%. Haasen plot revealed that the mobile dislocation density remained almost invariant at the juncture where there was a sudden increase in stress with the change in strain rate and the plastic flow was solely dependent on the velocity of mobile dislocations. In that critical regime, the variation of stress with time was fitted wi…
The appraisal of metallic materials requires application of advanced characterisation techniques. In this paper, the use has been made of Scanning Electron Microscopy, Transmission Electron Microscopy, X-ray diffraction (XRD) and Energy Dispersive X-ray Spectroscopy techniques to characterise morphological, structural and chemical composition of 316-stainless steel and unknown brass sample. The determined lattice parameter of unknown brass sample was 3.6812A and consisted of 63% Cu and 37% Zn by weight. The XRD analysis indicated a faced-centred-cubic crystal structure and the sample concluded…
Liquid metal embrittlement (LME) is a common feature of systems in which a low melting point liquid metal is in contact with another, higher melting point, polycrystalline metal. While different systems exhibit different LME fracture characteristics, the penetration of nanometer-thick liquid metal films along the grain boundary is one of the hallmarks of the process. We employ EAM potentials optimized for Al-Ga binary alloys in a series of MD simulations of an Al bicrystal (with a $Σ5 36.9 ^{\circ} /[010]$ symmetric tilt boundary) in contact with liquid Ga with and without an applied stress. O…
Understanding the mechanisms of plasticity in structural steels is essential for the operation of next-generation fusion reactors. Elemental composition, particularly the amount of Cr present, and irradiation can have separate and synergistic effects on the mechanical properties of ferritic/martensitic steels. The study of ion-irradiated FeCr alloys is useful for gaining a mechanistic understanding of irradiation damage in steels. Previous studies of ion-irradiated FeCr did not clearly distinguish between the nucleation of dislocations to initiate plasticity, and their propagation through the …
Although the pearlitic steel is one of the most extensively studied materials, there are still questions unanswered about the interface in the lamellar structure. In particular, to deepen the understanding of the mechanical behavior of pearlitic steel with fine lamellar structure, it is essential to reveal the structure-property relationship of the ferrite/cementite interface (FCI). In this study, we analyzed the in-plane shear deformation of the FCI using atomistic simulation combined with extended atomically informed Frank-Bilby (xAIFB) method and disregistry analyses. In the atomistic simul…
The acoustic nonlinearity parameter(beta) is sensitive to dislocation parameters, which continuously change during plastic deformation. Dislocation-based damage in structures/components is the source of the failure; thus, beta has been studied as a metric for non-destructive evaluation. This work consists of two parts: the development of an in situ experimental setup for nonlinear Rayleigh wave measurements, and characterization of the dependence of beta on applied stress at different levels of initial plastic strain. First, we introduce an experimental setup and methods for repeatable in situ…
Combined effect of Carbon and Nitrogen levels and isothermal holding temperature on the microstructure, precipitation and the tensile properties of Vanadium microalloyed steels with 0.05 weight percent Vanadium were studied. Two different Vanadium steels, one having higher Carbon and lower Nitrogen content, HCLN steel, and the other having lower Carbon and higher Nitrogen content, LCHN steel, were prepared and subjected to isothermal holding treatment over a temperature range of 500 to 750 degree Celsius, after hot-deformation. Maximum precipitation strengthening from fine Vanadium carbonitrid…
Plasticity in body-centred cubic (BCC) metals, including dislocation interactions at grain boundaries, is much less understood than in face-centred cubic (FCC) metals. At low temperatures additional resistance to dislocation motion due to the Peierls barrier becomes important, which increases the complexity of plasticity. Iron-silicon steel is an interesting, model BCC material since the evolution of the dislocation structure in specifically-oriented grains and at particular grain boundaries have far-reaching effects not only on the deformation behaviour but also on the magnetic properties, wh…
Matallic alloys, such as Al or Cu, or mild steel, display plastic instabilities in a well defined range of temperatures and deformation rates, a phenomenon known as the Portevin-Le Chatelelier (PLC) effect. The stick-slip behavior, or serration, typical of this effect is due to the discontinuous motion of dislocations as they interact with solute atoms. Here we study a simple model of interacting dislocations and show how the classical Einstein fluctuation-dissipation relation can be used to define the temperature in a range of model parameters and to construct a phase diagram of serration tha…
Viscoplastic flow of polycrystalline metallic materials is the result of motion and interaction of dislocations, line defects of the crystalline structure. In the microstructural (physics-based) constitutive model presented in this paper, the main underlying microstructural processes influencing viscoplastic deformation and mechanical properties of metals in cold and warm regimes are statistically described by the introduced sets of postulates/axioms for continuum dislocation dynamics (CDD). Three microstructural (internal) state variables (MSVs) are used for statistical quantifications of dif…
The effect of interstitial hydrogen on the elastic properties of $α$-iron is investigated using \textit{ab initio} density functional theory. We find that while the overall strength properties are reduced by H, the effects are mainly due to the resulting local volume expansion. We use these concentration-dependent elastic moduli to model the effects of homogeneous strain fields on H solubility and make extrapolations to H-solubility in the spatially-varying strain fields of realistic dislocations. We find that H is strongly trapped by dislocations of both the edge and screw variety, leading to…
Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its ra…
A model has been developed which simulates the deformation of single crystal austenitic stainless steels and cap-tures the effects of hydrogen on stress corrosion cracking. The model is based on the crystal plasticity theory which relates critical resolved shear stress to plastic strain and the strength of the crystal. We propose an analytical repre-sentation of hydrogen interactions with the material microstructure during deformation and simulate the effects hydrogen will have on void growth prior to fracture. Changes in the mechanical properties of the crystal prior to fracture are governed …
There is growing interest in promoting deformation twinning for plasticity in advanced materials, as highly organized twin boundaries are beneficial to better strength-ductility combination in contrast to disordered grain boundaries. Twinning deformation typically involves the kinetics of stacking faults, its interaction with dislocations, and dislocation - twin boundary interactions. While the latter has been intensively investigated, the dynamics of stacking faults has been less known. In this work, we report several new insights on the stacking fault behavior in twin induced plasticity from…
While diverse fracture characteristics have been observed in liquid metal embrittlement (LME) depending on the solid-liquid metal pairs, the penetration of nanometer-thick liquid metal films along the grain boundary has been identified as one of the key mechanisms for embrittlement in many classical LME systems, such as Al-Ga, Cu-Bi and Ni-Bi. For example, liquid Ga quickly penetrates deep into grain boundaries in Al, leading to intergranular fracture under very small stresses. We report on a series of molecular dynamics simulations of liquid Ga in contact with an Al bicrystal under a constant…
Formation of large volume fractions of Mn-Ni-Si precipitates (MNSPs) causes excess irradiation embrittlement of reactor pressure vessel (RPV) steels at high, extended-life fluences. Thus, a new and unique, semi-empirical cluster dynamics model was developed to study the evolution of MNSPs in low- Cu RPV steels. The model is based on CALPHAD thermodynamics and radiation enhanced diffusion ki- netics. The thermodynamics dictates the compositional and temperature dependence of the free energy reductions that drive precipitation. The model treats both homogeneous and heterogeneous nucleation, wher…
A toy model of two dimensional nanoindentation in finite crystals is proposed. The crystal is described by periodized discrete elasticity whereas the indenter is a rigid strain field of triangular shape representing a hard knife-like indenter. Analysis of the model shows that there are a number of discontinuities in the load vs penetration depth plot which correspond to the creation of dislocation loops. The stress vs depth bifurcation diagram of the model reveals multistable stationary solutions that appear as the dislocation-free branch of solutions develops turning points for increasing str…
Data-Efficient Indentation Size Effect Mitigation in Steels Using Machine Learning and a Physics-Constrained Neural Network
Center for Material Technologies（材料技术中心）；Skolkovo Institute of Science and Technology（斯克尔科沃科学与技术研究所）；Center for Petroleum Science and Engineering（石油科学与工程中心）
The main purpose of this study is to determine, via a three dimensions Finite Element analysis (FE), the stress and strain fields at the inner surface of a tubular specimen submitted to thermo-mechanical fatigue. To investigate the surface finish effect on fatigue behaviour at this inner surface, mechanical tests were carried out on real size tubular specimens under various thermal loadings. X ray measurements, Transmission Electron Microscopy observations and micro-hardness tests performed at and under the inner surface of the specimen before testing, revealed residual internal stresses and a…
