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- Hungarian Academy of SciencesHU166 papers
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6 papers · 2 filters
Powder Diffraction Data and Mesomorphic Properties for 4-Butyloxyphenyl 4'-Decyloxybenzoate
M. Cvetinov, M. Stojanović, D. Obadović +4
Unit cell parameters obtained from X-ray powder diffraction data are presented for the crystalline phase of a liquid crystal 4-butyloxyphenyl 4'-decyloxybenzoate: a = 23.098 (4) Å,…
Characterization of the nitrogen split interstitial defect in wurtzite aluminum nitride using density functional theory
A. Szállás, K. Szász, X. T. Trinh +3
We carried out Heyd-Scuseria-Ernzerhof hybrid density functional theory plane wave supercell calculations in wurtzite aluminum nitride in order to characterize the geometry, format…
Breakdown of diameter selectivity in a reductive hydrogenation reaction of single-walled carbon nanotubes
Katalin Nemeth, Emma Jakab, Ferenc Borondics +7
Reductive hydrogenation was applied to two types of single-walled carbon nanotubes with different diameter range. Alkali metal intercalation, followed by reaction with methanol, le…
Quantum-confined single photon emission at room temperature from Silicon carbide tetrapods
Stefania Castelletto, Zoltán Bodrog, Andrew P. Magyar +3
Controlled engineering of isolated solid state quantum systems is one of the most prominent goals in modern nanotechnology. In this letter we demonstrate a previously unknown quant…
Anomalous ideal tensile strength of ferromagnetic Fe and Fe-rich alloys
Xiaoqing Li, Stephan Schönecker, Jijun Zhao +2
Within the same failure mode, iron has the lowest ideal tensile strength among the transition metals crystallizing in the body-centered cubic structure. Here, we demonstrate that t…
Free energy of the bcc-liquid interface and the Wulff shape as predicted by the Phase-Field Crystal model
Frigyes Podmaniczky, Gyula I. Tóth, Tamás Pusztai +1
The Euler-Lagrange equation of the phase-field crystal (PFC) model has been solved under appropriate boundary conditions to obtain the equilibrium free energy of the body centered…