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- Hungarian Academy of SciencesHU162 papers
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23 papers · 1 filter
Entanglement and magnetism in high-spin graphene nanodisks
I. Hagymasi, O. Legeza
We investigate the ground-state properties of triangular graphene nanoflakes with zigzag edge configurations. The description of zero-dimensional nanostructures requires accurate m…
Nonuniversal and anomalous critical behavior of the contact process near an extended defect
R. Juhász, F. Iglói
We consider the contact process near an extended surface defect, where the local control parameter deviates from the bulk one by an amount of , being…
Mesoporous silica obtained with methyltriethoxysilane as co-precursor in alkaline medium
Ana-Maria Putz, Kunzhou Wang, Adél Len +10
Mesoporous silica particles have been synthesized by sol-gel method from tetraethoxysilane (tetraethylorthosilicate, TEOS) and methyltriethoxysilane (MTES), in ethanol and water mi…
An intuitive approach to the unified theory of spin-relaxation
L. Szolnoki, B. Dora, A. Kiss +2
Spin-relaxation is conventionally discussed using two different approaches for materials with and without inversion symmetry. The former is known as the Elliott-Yafet (EY) theory a…
Rheology of dense granular flows for elongated particles
Dániel B. Nagy, Philippe Claudin, Tamás Börzsönyi +1
We study the rheology of dense granular flows for frictionless spherocylinders by means of 3D numerical simulations. As in the case of spherical particles, the effective friction $…
Advanced capabilities for materials modelling with Quantum ESPRESSO
P. Giannozzi, O. Andreussi, T. Brumme +47
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-…