Ara
Toplam kayıt 327, listelenen: 301-310
Local structure of As2O3 glass from first principles simulations
(ELSEVIERRADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS, 2016)
We model As2O3 glass from the liquid state using ab initio molecular dynamics simulations and probe its atomic structure using various analyzing techniques. The model is almost free from coordination and chemical defects ...
Polyamorphism in Aluminum Nitride: A First Principles Molecular Dynamics Study
(WILEY111 RIVER ST, HOBOKEN 07030-5774, NJ, 2016)
The high-pressure behavior of amorphous aluminum nitride is investigated for the first time by means of ab initio molecular dynamics simulations. It is found to undergo two successive first-order phase transformations with ...
n-type conductivity in Si-doped amorphous AlN: an ab initio investigation
(TAYLOR & FRANCIS LTD2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND, 2016)
We report the electronic structure and topology of a heavily Si-doped amorphous aluminium nitride (Al37.5Si12.5N50) using ab initio simulations. The amorphous Al37.5Si12.5N50 system is found to be structurally similar to ...
Pressure-induced phase transformations in amorphous arsenic
(ELSEVIERRADARWEG 29, 1043 NX AMSTERDAM, NETHERLANDS, 2016)
The atomic structure of amorphous arsenic and its response to high pressure are explored using a constant pressure ab initio molecular dynamics technique. Different analyzing techniques reveal that amorphous arsenic has a ...
The measurements of electrical and thermal conductivity variations with temperature and phonon component of the thermal conductivity in Sn-Cd-Sb, Sn-In-Cu, Sn-Ag-Bi and Sn-Bi-Zn alloys
(ELSEVIER FRANCE-EDITIONS SCIENTIFIQUES MEDICALES ELSEVIER65 RUE CAMILLE DESMOULINS, CS50083, 92442 ISSY-LES-MOULINEAUX, FRANCE, 2016)
The electrical and thermal conductivity variations with temperature for lead-free ternary solders, namely Sn-41.39 at.% Cd-6.69 at.% Sb, Sn-49 at.% In-1 at.% Cu, Sn-50 at.% Ag-10 at.% Bi and Sn-32 at.% Bi-3 at.% Zn alloys, ...
Design, synthesis, and characterization of alpha,omega-disubstituted indeno[1,2-b]fluorene-6,12-dione-thiophene molecular semiconductors. Enhancement of ambipolar charge transport through synthetic tailoring of alkyl substituents
(ROYAL SOC CHEMISTRYTHOMAS GRAHAM HOUSE, SCIENCE PARK, MILTON RD, CAMBRIDGE CB4 0WF, CAMBS, ENGLAND, 2016)
A series of indeno[1,2-b]fluorene-6,12-dione-thiophene derivatives with hydrocarbon substituents at alpha,omega-positions as side groups have been designed and synthesized. The new compounds were fully characterized by ...
Linear and nonlinear optical properties of GaAs/Al(x)Ga1-xAs/GaAs/Al(y)Ga1-yAs multi-shell spherical quantum dot
(AIP Publishing, 2013)
In this work, the optical properties of GaAs/AlxGa1-xAs/GaAs/AlyGa1-yAs multi-shell quantum dot heterostructure have been studied as a function of Al doping concentrations for cases with and without a hydrogenic donor atom. ...
Amorphous boron nitride at high pressure
(TAYLOR & FRANCIS LTD2-4 PARK SQUARE, MILTON PARK, ABINGDON OR14 4RN, OXON, ENGLAND, 2016)
The pressure-induced phase transformation in hexagonal boron nitrite and amorphous boron nitrite is studied using ab initio molecular dynamics simulations. The hexagonal-to-wurtzite phase transformation is successfully ...
The experimental determination of thermophysical properties of intermetallic CuAl2 phase in equilibrium with (Al plus Cu plus Si) liquid
(ACADEMIC PRESS LTD- ELSEVIER SCIENCE LTD24-28 OVAL RD, LONDON NW1 7DX, ENGLAND, 2016)
The equilibrated grain boundary groove shapes of solid CuAl2 in equilibrium with (Al + Cu + Si) eutectic liquid were observed from a quenched sample by using a radial heat flow apparatus. The Gibbs-Thomson coefficient, ...
Bond energies of ThO+ and ThC+: A guided ion beam and quantum chemical investigation of the reactions of thorium cation with O-2 and CO
(AMER INST PHYSICS1305 WALT WHITMAN RD, STE 300, MELVILLE, NY 11747-4501, 2016)
Kinetic energy dependent reactions of Th+ with O-2 and CO are studied using a guided ion beam tandem mass spectrometer. The formation of ThO+ in the reaction of Th+ with O-2 is observed to be exothermic and barrierless ...