Atomic structure of the Fe/Fe3C interface with the Isaichev orientation in pearlite

Abstract

The pronounced mechanical property of pearlitic steels highly correlates with the ferrite (bcc-Fe)/cementite (Fe₃C) boundaries inside. Unraveling the interface structure at an atomic level is essential for interpreting the material’s property. In the present study, using aberration-corrected scanning/transmission electron microscopy combined with density functional theory calculations, we reveal the atomic configuration as well as the electronic structure of the Fe/Fe₃C interfaces with the Isaichev orientation in pearlite. The interface with terminating layer Fe–C–Fe in cementite has the lowest energy due to the formation of interfacial Fe–C bonds. Terrace steps which are frequently observed at the interfaces would not break the lattice match between the two phases.     

Numerical analysis of interface fatigue of fiber reinforced composites

A numerical analysis of the interface debonding process is carried out for fiber–matrix composites under cyclic loading. The results show that the interface friction plays an important role in resisting debonding under fatigue. The degradation coefficient of interface friction influences the debonding velocity. An approximate formula of interface friction is found for fatigue debonding.     

Localized plastic strain in polycrystalline materials with hole and notches

Analyzed numerically are the localized strain of polycrystalline materials subjected to quasi-static loading. The objective is to study the peculiarities associated with the deformation process close to the stress concentrators such as holes, notches and interfaces of internal structure. Analytical results show that geometry and/or heterogeneous internal structure of material together with the action of maximum shear result in the development of a system of plastically deformed shear bands. Shears and rotations in the regions of strain localization are found to be higher than in other parts of the specimen while rotations are more sensitive to localization.     

Modeling spherical explosions with aluminized energetic materials

This paper deals with the numerical solution and validation of a reactive flow model dedicated to the study of spherical explosions with an aluminized energetic material. Situations related to air blast as well as underwater explosions are examined. Such situations involve multiscale phenomena associated with the detonation reaction zone, the aluminium reaction zone, the shock propagation distance and the bubble oscillation period. A detonation tracking method is developed in order to avoid the detonation structure computation. An ALE formulation is combined to the detonation tracking method in order to solve the material interface between detonation products and the environment as well as shock propagation. The model and the algorithm are then validated over a wide range of spherical explosions involving several types of explosives, both in air and liquid water environment. Large-scale experiments have been done in order to determine the blast wave effects with explosive compositions of variable aluminium content. In all situations the agreement between computed and experimental results is very good.     

Interfacial & colloidal aspects of lipid digestion

Amongst the main issues challenging the food manufacturing sector, health and nutrition are becoming increasingly important. Global concerns such as obesity, the ageing population and food security will have to be addressed. Food security is not just about assuring food supply, but is also about optimising nutritional delivery from the food that is available [1]. Therefore one challenge is to optimise the health benefits from the lipids and lipid soluble nutrients.Colloid scientists have an affinity for lipids because they are water insoluble, however this presents a challenge to the digestive system, which has to convert them to structures that are less insoluble so they are available for uptake. Despite this, the human digestive system is remarkably effective at digesting and absorbing most lipids. This is primarily driven through maximising energy intake, as lipids possess the highest calorific value, which was a survival trait to survive times of famine, but is now an underlying cause of obesity in developed countries with high food availability.The critical region here is the lipid-water interface, where the key reactions take place to solubilise lipids and lipid soluble nutrients. Digestive lipases have to adsorb to the oil water interface in order to hydrolyse triacylglycerols into fatty acids and mono glycerides, which accumulate at the interface [2], and inhibit lipase activity. Pancreatic lipase, which is responsible for the majority of lipid hydrolysis, also requires the action of bile salts and colipase to function effectively. Bile salts both aid the adsorption of co-lipase and lipase, and help solubilise the lipolysis products which have accumulated at the interface, into mixed micelles composing bile salts and a range of other lipids, to facilitate transport to the gut mucosal surface prior to uptake and absorption.The process can be affected by the lipid type, as shorter chain, fatty acids are more easily absorbed, whereas the uptake of longer chain fatty acids, particularly the very long chain n-3 fatty acids from fish oils are dependent on source and so may depend on food microstructure for optimal uptake [3]. The uptake of some poorly water soluble nutrients are enhanced by the presence of lipids, but the mechanisms are not clear. In addition, controlling the digestion of lipids can be beneficial as slower release of lipids into the bloodstream can reduce risk of cardiovascular disease, and can promote gut feedback processes that reduce appetite.This presents an opportunity to colloid and interfacial science, as there are many unanswered questions regarding the specific physicochemical mechanisms underlying the process of lipid digestion and uptake. I will review our current knowledge of lipid digestion and present examples of how fundamental research in colloidal and interface science is beginning to address these issues. These include the adsorption behaviour of physiological surfactants such as bile salts; interfacial processes by which different polar lipids can influence lipolysis; and the effect of emulsion based delivery systems on cellular uptake of lipid soluble nutrients.A fundamental understanding of these processes is required if we are to develop intelligent design strategies for foods that will deliver optimal nutrition and improved health benefits in order to address the global challenges facing the food sector in the future.     

Assembly of succinic acid and isoxazolidine motifs in a single entity to mitigate CO2 corrosion of mild steel in saline media

Inhibition of CO₂ corrosion of mild steel in 0.5 M NaCl under atmospheric pressure at 40 °C as well as high pressure (10 bar) at 120 °C by 2-[2-methyl-4(or 5)-alkylisoxazolidin-5(or 4)-yl)methyl]succinic acids, a new class of molecules having inhibitive motifs of succinic acid, isoxazolidine and hydrophobic alkyl chain assembled in a single entity, has been examined by gravimetric and electrochemical methods. Inhibitor molecule containing CH₃(CH₂)₈ outperformed its counterpart with a shorter hydrophobe CH₃(CH₂)₄ and two other commercial imidazoline-based inhibitors. The effectiveness of these new inhibitors was also evaluated by electrochemical impedance spectroscopy. The inhibition efficiency by EIS was found to be 75%, 91% and 98% in the presence of 1, 5 and 20 ppm, respectively, at 40 °C. The potentiodynamic polarization studies indicated that the new inhibitors act as anodic inhibitors. The adsorption of the synthesized inhibitors follows Temkin adsorption isotherm model with favorable high values of –ΔG°_ads and −ΔH°_ads pointing the inhibitors adsorbed on the metal surface by chemisorption process. The XPS study confirmed the adsorption of the inhibitors on the metal surface.     

Dimensional and proximity magnetic effects in Cr/V systems

The magnetic structure of Cr/V systems is investigated at T = 0 K using real-space tight-binding approach. The magnetism is described in the Hartree-Fock approximation of the Hubbard Hamiltonian and the density of states is calculated within the recursion technique. It is found that the hybridization of the V and Cr d-bands, the change in the lattice constant, the kind and the number of coordination play important roles in determining the magnetism of Cr and V atoms.It is also found, that the magnetic moments of Cr, and the induced magnetic moments on V atoms have the maximum value at (0 0 1) orientation, followed by (1 1 1) orientation, and the least at (0 1 1) orientation, due to the coordination.     

Ni deposition on the pentagonal surface of an icosahedral Al-Pd-Mn quasicrystal

We have evaporated Ni on the pentagonal surface of an icosahedral Al-Pd-Mn quasicrystal kept at room temperature. At the initial stage of growth, Ni intermixes with the substrate surface. Subsequently, Al from the quasicrystal matrix migrates to growing layers. The modified chemical composition in an initially icosahedral region near the surface induces a structural transformation. An Al-Pd-Mn alloy is formed which consists of five cubic domains with dimensions in the nm-range exposing their (1 1 0) faces parallel to the surface. These domains are azimuthally rotated by 2π/5 with respect to each other and aligned with symmetry directions of the icosahedral substrate. Al-Mn-Ni, Al-Ni, and Ni overlayers adopt both structure and orientation of these domains which stabilises Ni in a novel body-centred cubic phase. Ni-rich overlayers exhibit out-of-plane magnetic ordering.     

Interfaces of Ground States in Ising Models with Periodic Coefficients

We study the interfaces of ground states of ferromagnetic Ising models with external fields. We show that, if the coefficients of the interaction and the magnetic field are periodic, the magnetic field has zero flux over a period and is small enough, then for every plane, we can find a ground state whose interface lies at a bounded distance of the plane. This bound on the width of the interface can be chosen independent of the plane. We also study the average energy of the plane-like interfaces as a function of the direction. We show that there is a well defined thermodynamic limit for the energy of the interface and that it enjoys several convexity properties.     

Solution calorimetric investigation of AgCl-AgI ionic conductor composites at 298 K: observation of metastable AgI modifications

The enthalpies of solution of pure silver halides AgCl and AgI and a composite material with molar composition 0.5 AgCl-0.5 AgI were measured at 298 K in a mixture of Na₂S₂O₃ (1 M) and NH₄OH (1 M). X-ray diffraction patterns showed that the composite material contained the metastable γ-AgI phase; different mechanisms for its stabilization were discussed. The phase transition enthalpies of AgI modifications and the enthalpy of formation of the composite material were deduced from the measurements. The latter could be related to a change of interfacial enthalpies.