A grain-based model considering pre-existing cracks for modelling mechanical properties of crystalline rock
Sign Up to like & getrecommendations! Published in 2020 at "Computers and Geotechnics"
DOI: 10.1016/j.compgeo.2020.103776
Abstract: Abstract Mechanical properties of crystalline rock are greatly affected by its micro-structures which are characterized as highly-interlocked polygon grains and presence of micro-defects. Due to insufficient consideration of micro-structures in crystalline rock, previous simulations using… read more here.
Keywords: crystalline rock; properties crystalline; model; mechanical properties ... See more keywords
Magnetic properties of crystalline nanoparticles with different sizes and shapes
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Magnetism and Magnetic Materials"
DOI: 10.1016/j.jmmm.2016.10.124
Abstract: Abstract The effects of shape and finite size on the physical behavior of nanostructured antiferromagnetic particles are investigated. They were modeled as ellipsoidal systems which preserve the crystalline structure of the correspondent bulk material. In… read more here.
Keywords: crystalline nanoparticles; magnetic properties; different sizes; properties crystalline ... See more keywords
Dispersion-corrected DFT study on the structural transformations and absorption properties of crystalline 3′-Amino-3′-deoxyadenosine
Sign Up to like & getrecommendations! Published in 2017 at "Journal of Molecular Structure"
DOI: 10.1016/j.molstruc.2016.08.064
Abstract: Abstract In this work, the structural, electronic and absorption properties of crystalline 3′-Amino-3′-deoxyadenosine (3′-AD) under hydrostatic compression of 0–300 GPa have been studied by using density functional theory with dispersion correction. The crystal structure of 3′-AD… read more here.
Keywords: absorption; crystalline amino; absorption properties; properties crystalline ... See more keywords
Polymorphism and Optoelectronic Properties in Crystalline Supramolecular Polymers
Sign Up to like & getrecommendations! Published in 2021 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.0c04123
Abstract: Supramolecular polymers can emulate some of the physical properties of covalent polymers but offer new opportunities given the possibility of designing monomers that will form highly ordered assemb... read more here.
Keywords: crystalline supramolecular; polymorphism optoelectronic; properties crystalline; supramolecular polymers ... See more keywords
Identification of the local electrical properties of crystalline and amorphous domains in electrochemically doped conjugated polymer thin films
Sign Up to like & getrecommendations! Published in 2020 at "RSC Advances"
DOI: 10.1039/d0ra02796k
Abstract: The effects of electrochemical doping on the local domain properties of conjugated polymer films are investigated. Nanoscale crystalline domains are most affected by doping and have a higher degree of doping compared to amorphous domains. read more here.
Keywords: properties crystalline; local electrical; conjugated polymer; amorphous domains ... See more keywords
Density functional theory predictions of the mechanical properties of crystalline materials
Sign Up to like & getrecommendations! Published in 2021 at "CrystEngComm"
DOI: 10.1039/d1ce00453k
Abstract: The DFT-predicted mechanical properties of crystalline materials are crucial knowledge for their screening, design, and exploitation. read more here.
Keywords: density functional; theory predictions; properties crystalline; mechanical properties ... See more keywords
Elastic properties of crystalline Li–Ge phases with increasing Li concentration: A first-principles study
Sign Up to like & getrecommendations! Published in 2018 at "AIP Advances"
DOI: 10.1063/1.5036664
Abstract: To obtain a better understanding of the failure mechanism of Ge anode during the charging and discharging process, in this paper, we systematically studied the mechanical properties of Li–Ge alloys based on density functional theory.… read more here.
Keywords: phases increasing; properties crystalline; increasing concentration; concentration ... See more keywords
A review on thermo-mechanical properties of bi-crystalline and polycrystalline 2D nanomaterials
Sign Up to like & getrecommendations! Published in 2019 at "Critical Reviews in Solid State and Materials Sciences"
DOI: 10.1080/10408436.2019.1582003
Abstract: Abstract Due to outstanding properties, graphene and h-BN nanosheets are emerging as a potential candidate for wide spectrum of applications in the field of engineering and bio-medical science. Graphene and h-BN nanosheets have comparable mechanical… read more here.
Keywords: thermo mechanical; crystalline polycrystalline; properties crystalline; review thermo ... See more keywords
Magnetic and electrical properties of crystalline materials based on indium and copper chalcogenides in a wide range of temperatures and pressures
Sign Up to like & getrecommendations! Published in 2017 at "Physics of the Solid State"
DOI: 10.1134/s106378341701022x
Abstract: The effect of temperatures (2–300 K) and high pressures (to 50 GPa) on the electrical and magnetic properties of crystalline materials based on copper and indium chalcogenides with the general formula (InB)1‒x(CuAB2)x, where A =… read more here.
Keywords: materials based; copper; properties crystalline; magnetic electrical ... See more keywords