Related papers: Effect of Oxygen on Hydrogen Diffusivity in hcp-Zi…
The mixing behavior of hydrogen with heavier elements plays a key role in modeling the interiors of giant planets such as Jupiter and Saturn. Using density functional theory combined with molecular dynamics, we investigate hydrogen-neon…
Copper and hydrogen are among the most common elements that are widely used in industrial and fundamental research applications. Copper surfaces are often exposed to hydrogen in the form of charged ions. The hydrogen ions can accelerate…
We present a new framework to quantify the effect of hydrogen on dislocations using large scale three-dimensional (3D) discrete dislocation dynamics (DDD) simulations. In this model, the first order elastic interaction energy associated…
The theoretical analysis of the process of diffusion of interstitial oxygen atoms and hydrogen molecules in silicon and germanium crystals has been performed. The calculated values of the activation energy and pre-exponential factor for an…
We calculated the influence of surface tension on the barriers of oxygen ionic conductivity in nanograin ceramics. Activation energy of oxygen ions diffusion via oxygen vacancies which were considered as the dilatational centers was…
Knowing the transport properties of iron under realistic conditions present in the Earth's core is essential for the geophysical modeling of Earth's magnetic field generation. Besides by extreme pressures and temperatures, transport may be…
Understanding hydrogen diffusion is critical for improving the reliability and performance of oxide thin-film transistors (TFTs), where hydrogen plays a key role in carrier modulation and bias instability. In this work, we investigate…
We have studied the effects of oxygen on hydrogenated amorphous/crystalline silicon films in terms of their structural and optical properties. Different hydrogenated silicon oxide (SiO:H) and silicon (Si:H) films are fabricated between…
The changes in the optical transmission of thin vanadium layers upon hydrogen absorption are found to be dominated by the volume changes of the layers and not directly linked to concentration. This effect is demonstrated by utilising the…
Hydrogen incorporation in native surface oxides of metal alloys often controls the onset of metal hydriding, with implications for materials corrosion and hydrogen storage. A key representative example is titania, which forms as a…
Although of primary importance in the mechanistic understanding of Zircaloy hydriding, practically nothing is known on the transport properties of hydrogen in zirconia. In this frame the muon, which can be considered as a light hydrogen…
We investigate the importance of the pseudo-continuum bound-free opacity from hydrogen atoms in the atmospheres of cool white dwarfs. This source of absorption, when calculated by the occupation probability formalism applied in the modeling…
Cubic yttria-stabilized zirconia is widely used in industrial electrochemical devices. While its fast oxygen ion diffusion is well understood, why cation diffusion is much slower-its activation energy (~5 eV) is 10 times that of anion…
Oxygen exchange at oxide/liquid and oxide/gas interfaces is important in technology and environmental studies, as it is closely linked to both catalytic activity and material degradation. The atomic-scale details are mostly unknown,…
D. J. Antonio et al. report an x-ray diffraction experiment on uranium dioxide at high-magnetic field and low temperature. The authors have apparently not realized that the diffraction data actually shows unambiguously the presence of a…
Silicon suboxide is currently considered as a unique candidate for lithium ion batteries anode materials due to its considerable capacity. However, no adequate information exist about the role of oxygen content on its performance. To this…
Oxygen is widely used to tune the performance of chalcogenide phase-change materials in the usage of phase-Change random access memory (PCRAM) which is considered as the most promising next-generation non-volatile memory. However, the…
High-strength steel is a structural metal crucial for load-bearing components yet is known to be highly susceptible to hydrogen embrittlement (HE). Vanadium (V) and niobium (Nb) containing precipitated carbides introduce strong hydrogen…
The presence of hydrogen traps within a metallic alloy influences the rate of hydrogen diffusion. The electro-permeation (EP) test can be used to assess this: the permeation of hydrogen through a thin metallic sheet is measured by suitable…
Oxygen impurities in uranium nitride (UN) are reported to influence its swelling behavior under irradiation, yet the underlying mechanism remains unknown. In this work, we develop a first-principles model that quantifies the interaction of…