Hydrogen Trapping in bcc Iron

Hydrogen Trapping in bcc Iron

Fundamental understanding of H localization in steel is an important step towards theoretical descriptions of hydrogen embrittlement mechanisms at the atomic level. In this paper, we investigate the interaction between atomic H and defects in ferromagnetic body-centered cubic (bcc) iron using densit...

Full description

Bibliographic Details
Main Authors:	Anastasiia S. Kholtobina, Reinhard Pippan, Lorenz Romaner, Daniel Scheiber, Werner Ecker, Vsevolod I. Razumovskiy
Format:	Article
Language:	English
Published:	MDPI AG 2020-05-01
Series:	Materials
Subjects:	first principles calculations hydrogen embrittlement bcc iron trapping energies
Online Access:	https://www.mdpi.com/1996-1944/13/10/2288

Similar Items

A First-principles analysis of Structural, Electronic, Elastic, and vacant properties of BCC, FCC and HCP tungsten at different electronic temperatures
by: X.B. Ye, et al.
Published: (2023-06-01)

Hydrogen diffusion in BCC-Fe: DFT study of tensorial stress effects and interactions with point defects
by: Gonzalo Álvarez, et al.
Published: (2024-04-01)

Hardening effect of diffusible hydrogen on BCC Fe-based model alloys by in situ backside hydrogen charging
by: Jing Rao, et al.
Published: (2023-08-01)

BCC and Childhood Low Dose Radiation
by: Arash Beiraghi Toosi, et al.
Published: (2014-10-01)

First principles on bcc and fcc phases structure of Fe<sub>52</sub>T<sub>2</sub> (T=Cr,Mn,Co,Ni) alloys
by: DONG Xue, et al.
Published: (2019-03-01)

Metastatic and locally aggressive BCC: Current treatment options
by: Máire‐Caitlín Casey, et al.
Published: (2021-10-01)

Strengthening/embrittlement effects induced by segregation of transmutation He and Li at Be {101̄1} grain boundary by first-principles calculations
by: Yinlong Wang, et al.
Published: (2023-09-01)

Mechanisms of hydrogen absorption, trapping and release during galvanostatic anodization of high-strength aluminum alloys
by: Mahdieh Safyari, et al.
Published: (2023-01-01)

The simulation of a wave propagation in a bcc iron crystal with a crack
by: Pelikán V., et al.
Published: (2007-10-01)

Revisiting BCC-SESM parameters sensitivity with BCC-CSM1.1 co2-concentration-driven simulations
by: Chang-Yi Liu, et al.
Published: (2022-06-01)

First-principles calculation of bonding and hydrogen trapping mechanism of Fe3C/α-Fe interface
by: Feida Chen, et al.
Published: (2023-09-01)

The influence of the excitation pulse shape on the stress wave propagation in a bcc iron crystal
by: Červená O., et al.
Published: (2008-12-01)

Hydrogen-triggered metal filament rupture in Cu-based resistance switches
by: Bo Xiao, et al.
Published: (2024-12-01)

Entropy-Enthalpy Compensation in Ti-V-Mn-Cr BCC Alloys Used as Hydrogen Storage Materials
by: Chourouk Kefi, et al.
Published: (2023-12-01)

THERMODYNAMIC PROPERTIES OF BCC-FE TO MELTING TEMPERATURE AND PRESSURE TO 15 GPA
by: P. I. Dorogokupets, et al.
Published: (2015-09-01)

Polymorphic nature of {332} 〈 113 〉 twinning mode in BCC alloys
by: P. Kwasniak, et al.
Published: (2022-05-01)

The Role of κ-Carbides as Hydrogen Traps in High-Mn Steels
by: Tobias A. Timmerscheidt, et al.
Published: (2017-07-01)

Co-segregation behavior and weakening effect of the major elements in Al-Zn-Mg-Cu series alloys on Al Σ3(111)[110] symmetrical tilt grain boundary: a first-principles study
by: Hao Li, et al.
Published: (2022-05-01)

Exploring the effect of alloying elements on the thermoelasticity and strength of bcc Fe-based alloys by first-principles phonon calculations
by: Yang Lin, et al.
Published: (2024-05-01)

An understanding of hydrogen embrittlement in nickel grain boundaries from first principles
by: Han Lin Mai, et al.
Published: (2021-12-01)

Hydrogen trapping in vanadium carbide alloyed with transition metals
by: Shuai Tang, et al.
Published: (2023-09-01)

Hydrogen trapping and hydrogen embrittlement (HE) susceptibility of X70 grade high-strength, acid-resistant, submarine pipeline steel with Mg treatment
by: Fengjun Lang, et al.
Published: (2023-05-01)

The Role of TROP2 in BCC and Cutaneous SCC: A Clinical and Immunohistochemical Study
by: Farag AGA, et al.
Published: (2021-06-01)

Hydrogen Trapping Behavior in Vanadium Microalloyed TRIP-Assisted Annealed Martensitic Steel
by: Xiongfei Yang, et al.
Published: (2019-06-01)

Hydrogen Embrittlement at Cleavage Planes and Grain Boundaries in Bcc Iron—Revisiting the First-Principles Cohesive Zone Model
by: Abril Azócar Guzmán, et al.
Published: (2020-12-01)

Replacement of Vanadium by Ferrovanadium in a Ti-Based Body Centred Cubic (BCC) Alloy: Towards a Low-Cost Hydrogen Storage Material
by: Thomas Bibienne, et al.
Published: (2018-07-01)

A review on BCC-structured high-entropy alloys for hydrogen storage
by: Lingjie Kong, et al.
Published: (2023-01-01)

Hydrogen Trapping in Laser Powder Bed Fusion 316L Stainless Steel
by: Polina Metalnikov, et al.
Published: (2022-10-01)

Recent Progress with BCC-Structured High-Entropy Alloys
by: Fangfei Liu, et al.
Published: (2022-03-01)

Sweep-tracing algorithm: in silico slip crystallography and tension-compression asymmetry in BCC metals
by: Nicolas Bertin, et al.
Published: (2022-01-01)

First-principles study on the hydrogen trapping by vacancy and substitutional helium in W–Ta alloy
by: XiangCao Li, et al.
Published: (2023-09-01)

Heat Treatment Effect on Hydrogen Permeation and Trapping in the API 5CT P110 Steel
by: M. S. Oliveira, et al.
Published: (2023-12-01)

Charge-traps, thermal stability and water-uptakes of CaSiO3/EP and SiO2/EP nanocomposites from molecular simulations and first-principles calculations
by: Zhang, Yanyan, et al.
Published: (2024)

Ti-based BCC Alloy: Dehydrogenation Characterization Using Synchrotron and Neutron Diffraction
by: Thomas Bibienne, et al.
Published: (2016-05-01)

Plasticity through De-Twinning in Twinned BCC Nanowires
by: G. Sainath, et al.
Published: (2020-05-01)

Effect of a Long-Range Dislocation Pileup on the Atomic-Scale Hydrogen Diffusion near a Grain Boundary in Plastically Deformed bcc Iron
by: Yipeng Peng, et al.
Published: (2023-08-01)

Atomic Stress State Inside fcc and bcc Random Alloys: A First-Principles Approach
by: Yoshinori Shiihara, et al.
Published: (2022-05-01)

BCc1, the novel antineoplastic nanocomplex, showed potent anticancer effects in vitro and in vivo
by: Kalanaky S, et al.
Published: (2015-12-01)

Evaluation of technological innovation efficiency of petroleum companies based on BCC–Malmquist index model
by: Yanqiu Wang, et al.
Published: (2019-02-01)

Flow Stress of bcc Metals over a Wide Range of Temperature and Strain Rates
by: Gabriel Testa, et al.
Published: (2020-01-01)