Consideration of the possibility of transporting compressed hydrogen through existing gas pipelines leads to the need to study the regularities of the effect of hydrogen on the mechanical properties of steels in relation to the conditions of their operation in pipelines (operating pressure range, stress state of the pipe metal, etc.). This article provides an overview of the types of influence of hydrogen on the mechanical properties of steels, including those used for the manufacture of pipelines. The effect of elastic and plastic deformations on the intensity of hydrogen saturation of steels and changes in their strength and plastic deformations is analyzed. An assessment of the potential losses of transported hydrogen through the pipeline wall as a result of diffusion has been made. The main issues that need to be solved for the development of a scientifically grounded conclusion on the possibility of using existing gas pipelines for the transportation of compressed hydrogen are outlined.

Recent research efforts to develop advanced–/ultrahigh–strength medium-Mn steels have led to the development of a variety of alloying concepts, thermo-mechanical processing routes, and microstructural variants for these steel grades. However, certain grades of advanced–/ultrahigh–strength steels (A/UHSS) are known to be highly susceptible to hydrogen embrittlement, due to their high strength levels. Hydrogen embrittlement characteristics of medium–Mn steels are less understood compared to other classes of A/UHSS, such as high Mn twinning–induced plasticity steel, because of the relatively short history of the development of this steel class and the complex nature of multiphase, fine-grained microstructures that are present in medium–Mn steels. The motivation of this paper is to review the current understanding of the hydrogen embrittlement characteristics of medium or intermediate Mn (4 to 15 wt pct) multiphase steels and to address various alloying and processing strategies that are available to enhance the hydrogen-resistance of these steel grades.

As the need for duplex stainless steel (DSS) increases, it is necessary to evaluate hydrogen stress cracking (HSC) in dissimilar welded joints (WJs) of DSS and carbon steel. This study aims to investigate the effect of the weld microstructure on the HSC behaviour of dissimilar gas-tungsten arc welds of DSS and carbon steel. In situ slow-strain rate testing (SSRT) with hydrogen charging was conducted for transverse WJs, which fractured in the softened heat-affected zone of the carbon steel under hydrogen-free conditions. However, HSC occurred at the martensite band and the interface of the austenite and martensite bands in the type-II boundary. The band acted as an HSC initiation site because of the presence of a large amount of trapped hydrogen and a high strain concentration during the SSRT with hydrogen charging. Even though some weld microstructures such as the austenite and martensite bands in type-II boundaries were harmless under normal hydrogen-free conditions, they had a negative effect in a hydrogen atmosphere, resulting in the premature rupture of the weld. Eventually, a premature fracture occurred during the in situ SSRT in the type-II boundary because of the hydrogen-enhanced strain-induced void (HESIV) and hydrogen-enhanced localised plasticity (HELP) mechanisms.

In lubricated tribo-contacts, hydrogen ingress in steel is possible due to chemical reactions of lubricant components like base oils or additives, and/or contamination upon service particularly water, and/or corrosion processes, and/or electrostatic fields or current flow. Absorbed by the metal, atomic hydrogen may cause serious deleterious effects on the physical-chemical and mechanical properties, reducing the material's ability to withstand the design loads. The present research work is focused on analyzing the influence of electric field on lubricating oils in contact with steel surface. In order to evaluate the possibility of atomic hydrogen generation and permeation into the steel under cathodic polarization of lubricating oils the electrochemical permeation technique developed by Devanathan and Stachurski is used. The input cell of a Devanathan-Stachurski set up is appropriately modified by realizing a very close distance between the working electrode (steel membrane) and a Pt counter electrode with the oil between. This significantly increases the sensibility of the set up and allows the application of larger voltage and higher temperature to enable hydrogen generation from lubricating oils. The complex effects of cathodic polarization, temperature, additives and presence of water in model lubricating oils on atomic hydrogen permeation into steel is discussed.© 2022. The Author(s).

The hot deformation behavior of Ti–3Al–5Mo–4.5V alloy with an [Formula: see text] martensitic microstructure was studied in the temperature range of 700–1000[Formula: see text]C and strain rates range of 0.001–[Formula: see text] up to a height reduction of 50%. The results show that an ultrafine equiaxed microstructure with an average grain size of [Formula: see text] were successfully produced through thermomechanical processing of a martensitic starting microstructure. A processing map was successfully constructed and provides appropriate processing parameters for hot deformation which are located in the temperature range of 700–800[Formula: see text]C and the low strain rate range of 0.001–[Formula: see text]. The instability domain mainly occurs at the strain rate higher than [Formula: see text] for the whole deformation temperature, which should be avoided during practice. The flow softening mechanism of the alloy is determined to be continuous dynamic recrystallization and the unstable flow is caused by the macro-fracture and flow localization.

In this paper, we investigate how two different microstructures in pure iron affect the dislocation mobility in hydrogen-charged and non-charged samples by conducting stress-relaxation tests. The effective activation volume of the pure iron for both types of microstructures (cold-rolled and annealed samples) has been determined for both H-charged and uncharged material. Information about the dislocation structures formed during stress relaxation is provided by conducting TEM analysis. We employ a self-consistent kinetic Monte-Carlo (SCkMC) model of the ½ [111] screw dislocation in Fe to investigate how hydrogen affects the mobility and behavior of the dominant mobile dislocation in Fe at different stresses and H concentrations. The results from our simulations show the following: (i) at low stresses the deviation from the primary slip plane in the presence of H is lower than the deviation in the uncharged Fe. The deviation angle decreases with increasing H concentration; (ii) at higher shear stresses, the higher probability for kink-pair formation in the secondary (110) planes in the presence of H, leads to an enhanced deviation from the primary slip plane, which increases with increasing H concentration. We use the results of stress-relaxation tests and SCkMC simulations to propose an explanation for the formation of dislocation cell structures in pure and hydrogen charged Fe in the cold-rolled and annealed samples.

Based on first principles density functional theory (DFT) methods, this study employed the Cambridge Serial Total Energy Package (CASTEP) module within Materials Studio (MS) software under the generalized gradient approximation to investigate the adsorption, diffusion behavior, and electronic properties of hydrogen atoms on α-Fe(110) and α-Fe(110)-Me (Mn, Cr, Ni, Mo) surfaces, including calculations of their adsorption energies and density of states (DOS). The results demonstrated that doping with alloy atoms Me increased the physical adsorption energy of H2 molecules on the surface. Specifically, Mo doping elevated the adsorption energy from −1.00825 eV to −0.70226 eV, with the largest relative change being 30.35%. After doping with Me, the chemical adsorption energy of two hydrogen atoms does not change significantly, among which doping with Cr results in a decrease in the chemical adsorption energy. Building on this, further analysis of the chemical adsorption of single atoms on the surface was conducted. By comparing the adsorption energy and the bond length between a hydrogen atom and iron/dopant metal atom, it was found that Mo doping has the greatest impact, increasing the bond length by 58.58%. Analysis of the DOS functions under different doping conditions validated the interaction between different alloy elements and H atoms. Simultaneously, simulations were carried out on the energy barrier crossed by H atoms diffusing into the metal interior. The results indicate that Ni doping facilitates the diffusion of H atoms, while Cr, Mn, and Mo hinder their diffusion, with Mo having the most significant effect, where its barrier is 21.88 times that of the undoped surface. This conclusion offers deep insights into the impact of different doping elements on hydrogen adsorption and diffusion, aiding in the design of materials resistant to hydrogen embrittlement.

Hydrogen embrittlement reduces the durability of the structural steels required for the hydrogen economy. Understanding how hydrogen interacts with the materials plays a crucial role in managing the embrittlement problems. Theoretical models have indicated that carbon vacancies in metal carbide precipitates are effective hydrogen traps in steels. Increasing the number of carbon vacancies in individual metal carbides is important since the overall hydrogen trapping capacity can be leveraged by introducing abundant metal carbides in steels. To verify this concept, we compare a reference steel containing titanium carbides (TiCs), which lack carbon vacancies, with an experimental steel added with molybdenum (Mo), which form Ti-Mo carbides comprising more carbon vacancies than TiCs. We employ theoretical and experimental techniques to examine the hydrogen trapping behavior of the carbides, demonstrating adding Mo alters the hydrogen trapping mechanism, enabling hydrogen to access carbon vacancy traps within the carbides, leading to an increase in trapping capacity.

The effects of alloying elements (Si, Cr, Mo) on the solution and diffusion of oxygen (O) atoms at the grain boundary of iron (Fe) Σ5(310)/[001] are investigated by the simulations of ab initio density functional theory (DFT). It is found that Si, Mo and Cr prefer to segregate to the grain boundary, and further affect the solution and diffusion of O atoms at Fe grain boundaries. The segregated Cr promotes the solution of O, while Si and Mo inhibit the solution of O at the grain boundary. Meanwhile, Cr and Si accelerate the diffusion of O, and Mo retards the diffusion of O in the grain boundary. Further analysis indicates that the effects are closely related to the interactions between the alloying elements and O atoms, which are determined by the competition between the distortion of local structure and the charge transfer between local atoms. Finally, the effects of alloying elements on the O concentration distribution near the grain boundary are explored by employing the Langmuir–McLean models. This work not only provides insights into the effects of alloying elements on the solution and diffusion of O at grain boundaries, but also provides parameters of the atomic interactions for the initial oxidation simulation on a large scale, which relates to the growth of oxide in polycrystalline systems with various grain sizes at experimental temperatures.

We present an update on recently developed methodology and functionality in the computer program Local Orbital Basis Suite Toward Electronic-Structure Reconstruction (LOBSTER) for chemical-bonding analysis in periodic systems. LOBSTER is based on an analytic projection from projector-augmented wave (PAW) density-functional theory (DFT) computations (Maintz et al., J. Comput. Chem. 2013, 34, 2557), reconstructing chemical information in terms of local, auxiliary atomic orbitals and thereby opening the output of PAW-based DFT codes to chemical interpretation. We demonstrate how LOBSTER has been improved by taking into account time-reversal symmetry, thereby speeding up the DFT and LOBSTER calculations by a factor of 2. Over the recent years, the functionalities have also been continually expanded, including accurate projected densities of states (DOSs), crystal orbital Hamilton population (COHP) analysis, atomic and orbital charges, gross populations, and the recently introduced k-dependent COHP. The software is offered free-of-charge for non-commercial research.© 2020 Wiley Periodicals LLC.