Embedded atom potential for Sm–Co compounds obtained by force-matching
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2019.165468
Abstract: Abstract We present the results of ab initio simulations of the series of intermetallic Sm–Co compounds. We show that the “open core” approach allows calculating intrinsic properties of Sm–Co compounds with sufficient accuracy for all… read more here.
Keywords: atom potential; obtained force; embedded atom; potential compounds ... See more keywords
Implication of Mechanical Properties of Li-S Binary Compounds Obtained from the First-Principles Study
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.0c10448
Abstract: Lithium–sulfur (Li–S) batteries are one of the most promising substitutes for the current Li-ion battery system as a next-generation storage system because of their high theoretical energy density ... read more here.
Keywords: implication mechanical; binary compounds; obtained first; properties binary ... See more keywords
Mechanical Properties, Electronic Structures, and Debye Temperature of NixBy Compounds Obtained by the First Principles Calculations
Sign Up to like & getrecommendations! Published in 2018 at "Crystals"
DOI: 10.3390/cryst8120451
Abstract: Mechanical properties, electronic properties, and Debye temperatures of NixBy (Ni3B, Ni2B, Ni4B3 and NiB) compounds were obtained by the first principles calculations based on the density functional theory (DFT). The results showed that the formation… read more here.
Keywords: properties electronic; nixby compounds; mechanical properties; compounds obtained ... See more keywords
Intranasal Lipid Nanoparticles Containing Bioactive Compounds Obtained from Marine Sources to Manage Neurodegenerative Diseases
Sign Up to like & getrecommendations! Published in 2023 at "Pharmaceuticals"
DOI: 10.3390/ph16020311
Abstract: Marine sources contain several bioactive compounds with high therapeutic potential, such as remarkable antioxidant activity that can reduce oxidative stress related to the pathogenesis of neurodegenerative diseases. Indeed, there has been a growing interest in… read more here.
Keywords: compounds obtained; bioactive compounds; neurodegenerative diseases; marine sources ... See more keywords