Jul 01, 1999 · The U.S. Department of Energy's Office of Scientific and Technical Information Adsorption and migration of alkali metals (Li, Na, and K A collection of defects expected to be found in carbonaceous materials are investigated in terms of metal storage and mobility, with N- and O-containing defects found to be the dominant defects on these carbon surfaces. Metal adsorption and migration at the defect sites show that defect sites tend to act as metal trapping sites, and metal
Dec 06, 2017 · Charged defects in two-dimensional (2D) materials have emerging applications in quantum technologies such as quantum emitters and quantum computation. The advancement of these technologies requires a rational design of ideal defect centers, demanding reliable computation methods for the quantitatively accurate prediction of defect properties. Hydrogen Desorption Spectra from Excess Vacancy-Type Sep 11, 2019 · Many studies have been conducted for that purpose and some promising mechanisms have been proposed concerning the direct or indirect effects of hydrogen on the degradation of metals.[1,2,3,4,5,6,7,8] Hydrogen directly reduces the cohesive energy of lattice bonding, which has been called the hydrogen-enhanced decohesion model (HEDE).[1,2] One of the models of indirect Materials Free Full-Text Hydrogen Trapping in bcc Iron A significant amount of effort has been made with respect to investigations of H-trapping in Fe [9,10,11,12,13,14,15,16,17,18,19,20,21].Most research works have focused on the identification of the most favorable position of the atomic H in the lattice or at a defect with the lowest trapping
- Mission StatementMaterial Classes and Fields of ResearchSpecific Research Topics of High InterestA Few Concrete Project ExamplesDepartment Structure and Research GroupsSince the dawn of mankind, complex materials have been the backbone of human society. Today, they are indispensable in the fields of energy, industry, transportation, health, construction, safety and manufacturing. With >2 billion tons produced every year, particularly metals stand for massive economic growth, job safety and wealth increase. Due to the sheer quantities produced and used, they also play a central role in sustainability. Currently, we enter from the age of linear industry into a circular and digitalFirst-principles Study of Carbon and Vacancy Structures the total energies and electronic structures of carbon atoms in bcc niobium interstitial sites, carbon atoms near niobium lattice vacancies, di-vacancies, and tri-vacancies, and several niobium carbides. The C-H interaction in niobium is also investigated. The results are discussed in terms of thermodynamic stability and electronic properties.
Quenching and partitioning - a new steel heat treatment A thermodynamic model for carbon trapping in lattice defects. (1985). Abrasives - Their use in the machining of metals. Agren (2004b).
Two yellow luminescence bands in undoped GaN Scientific May 25, 2018 · Below, we provide some arguments that may help to choose between the two models. The C N defect is expected to have two thermodynamic transition levels:the /0 level at
Doi:10.1016/j.carbon.2016.01.067 Volume:101 Page Numbers:37-48 Publication Date:2016 Publication Name:CarbonKinetic Monte Carlo Study on Carbon Trapping Effect the diffusion of carbon can be explained by the production of Ci, the mobile carbon, which explains the super-saturation of vacancy. We have to calculate the formation of immobile carbon and self-interstitials. At high temperatures carbon has a thermodynamic driving force that leads to