Substantial role of charge transfer on the diffusion mechanism of interstitial elements in α-titanium: A First-principles study
Sign Up to like & getrecommendations! Published in 2021 at "Scripta Materialia"
DOI: 10.1016/j.scriptamat.2021.114065
Abstract: Abstract The diffusion mechanism of interstitial solute elements in α-Ti was investigated using first-principles calculations. Solute elements, B, C, N, O and F, were confirmed to be the most stable at octahedral sites with their… read more here.
Keywords: diffusion; diffusion mechanism; charge transfer;
Diffusion mechanism in the superionic conductor Li 4 PS 4 I studied by first-principles calculations
Sign Up to like & getrecommendations! Published in 2018 at "Solid State Ionics"
DOI: 10.1016/j.ssi.2018.01.046
Abstract: Abstract Li4PS4I was recently discovered as a novel crystalline lithium ion conductor by applying a soft chemistry approach. It adopts a tetragonal structure type suggesting a three-dimensional migration pathway favorable for a high conductivity [S.J.… read more here.
Keywords: diffusion; diffusion mechanism; conductor; superionic conductor ... See more keywords
Hydration and Diffusion Mechanism of Uranyl in Montmorillonite Clay: Molecular Dynamics Using an Ab Initio Potential
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.7b08479
Abstract: Permanent geological repositories lined with bentonite, a montmorillonite-containing clay, is one of the options considered for the storage of high-level radioactive waste. If the fuel rods were dissolved by a water leak, the clay would… read more here.
Keywords: molecular dynamics; uranyl montmorillonite; diffusion mechanism; hydration diffusion ... See more keywords
New Insights into the Lithium-Ion Diffusion Mechanism in Vanadate Compounds
Sign Up to like & getrecommendations! Published in 2021 at "ACS energy letters"
DOI: 10.1021/acsenergylett.0c02586
Abstract: Vanadate as intercalation compounds are attracting considerable interest for use in electrochemical energy storage devices, such as lithium-ion batteries, sodium-ion batteries, and zinc-ion batteri... read more here.
Keywords: diffusion mechanism; new insights; ion; lithium ion ... See more keywords
The Impact of the Double Cross-Phase Diffusion Mechanism on Oil Recovery during CO2 Injection into Fractured Rocks: A Simulation Study
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c01503
Abstract: In this research, a new diffusion mechanism called “double cross-phase diffusion” is introduced and applied to simulate the non-equilibrium gas injection process into fractured rocks. This new mechanism represents additional multicomponent gas diffusion into the… read more here.
Keywords: diffusion; oil; oil recovery; diffusion mechanism ... See more keywords
Diffusion Mechanism of Exciplexes in Organic Optoelectronics
Sign Up to like & getrecommendations! Published in 2020 at "Physical review applied"
DOI: 10.1103/physrevapplied.13.024006
Abstract: Exciton diffusion in organic films is crucial phenomenon in optoelectronic devices such as organic light-emitting diodes and organic photovoltaics. However, diffusion of exciplexes has not been actively studied despite their ever-growing importance in such devices… read more here.
Keywords: mechanism exciplexes; diffusion mechanism; forming pairs; diffusion ... See more keywords
Novel Diffusion Mechanism of Polymers Pinned to an Attractive Impurity
Sign Up to like & getrecommendations! Published in 2022 at "Polymers"
DOI: 10.3390/polym14071459
Abstract: Actual substrates unavoidably possess, to some extent, defects and dirt, which motivate understanding the impact due to their presence. The presence of a substrate naturally breaks symmetries. Additionally, it effectively reduces spatial dimensionality, which favors… read more here.
Keywords: attractive impurity; impurity; novel diffusion; diffusion mechanism ... See more keywords
Employing mesh segmentation algorithms as fabrication strategies: Pattern generation based on reaction-diffusion mechanism
Sign Up to like & getrecommendations! Published in 2019 at "FME Transactions"
DOI: 10.5937/fmet1902379g
Abstract: This paper examines how the evolution of architectural generative design processes aim to apply similar physical and geometrical principles of biological processes taking place during development and to translate them to fabrication processes. In analogy… read more here.
Keywords: diffusion mechanism; fabrication; reaction diffusion;