Results 1 to 10 of about 51,825 (244)
Infrasound generation by tornadic supercell storms [PDF]
Quarterly Journal of the Royal Meteorological Society, 2009 AbstractAcoustic wave generation by turbulence in a stratified, moist atmosphere is studied. It is shown that, in saturated moist air turbulence, in addition to the Lighthill's quadrupole and dipole sources of sound (related to stratification and temperature fluctuations), there exist monopole sources related to heat and mass production during the ...
Akhalkatsi, M., Gogoberidze, G.
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Supercell refinement: a cautionary tale [PDF]
Acta Crystallographica Section D Structural Biology, 2019 Theoretically, crystals with supercells exist at a unique crossroads where they can be considered as either a large unit cell with closely spaced reflections in reciprocal space or a higher dimensional superspace with a modulation that is commensurate with the supercell.
Jeffrey Lovelace +3 more
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Polarons from First Principles, without Supercells [PDF]
Physical Review Letters, 2019 We develop a formalism and a computational method to study polarons in insulators and semi-conductors from first principles. Unlike in standard calculations requiring large supercells, we solve a secular equation involving phonons and electron-phonon matrix elements from density-functional perturbation theory, in a spirit similar to the Bethe-Salpeter ...
Sio, Weng Hong +3 more
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Robustness of One-Dimensional Photonic Bandgaps Under Random Variations of Geometrical Parameters [PDF]
, 2005 The supercell method is used to study the variation of the photonic bandgaps in one-dimensional photonic crystals under random perturbations to thicknesses of the layers.
E. Lidorikis +6 more
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Supercell-core software: A useful tool to generate an optimal supercell for vertically stacked nanomaterials [PDF]
AIP Advances, 2020 Vertically oriented materials, such as van der Waals heterostructures, which have novel hybrid properties, are crucial for fundamental scientific research and the design of new nano-devices. Currently, most available theoretical methods require applying a supercell approach with periodic boundary conditions to explore the electronic properties of such ...
Tomasz Necio, Magdalena Birowska
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Interface Roughness Effects in Ultra-Thin Tunneling Oxides [PDF]
, 1998 Advanced MOSFET for ULSI and novel silicon-based devices require the use of ultrathin tunneling oxides where non-uniformity is often present. We report on our theoretical study of how tunneling properties of ultra-thin oxides are affected by roughness at
Daniel, Erik S. +2 more
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Finite size scaling as a cure for supercell approximation errors in calculations of neutral native defects in InP [PDF]
, 2004 The relaxed and unrelaxed formation energies of neutral antisites and interstitial defects in InP are calculated using ab initio density functional theory and simple cubic supercells of up to 512 atoms. The finite size errors in the formation energies of
C. W. M. Castleton +2 more
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Non-Abelian Hyperbolic Band Theory from Supercells
Physical Review Letters, 2023 Wave functions on periodic lattices are commonly described by Bloch band theory. Besides Abelian Bloch states labeled by a momentum vector, hyperbolic lattices support non-Abelian Bloch states that have so far eluded analytical treatments. By adapting the solid-state-physics notions of supercells and zone folding, we devise a method for the systematic ...
Lenggenhager, Patrick M +2 more
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Local Reconstructions of Silicene Induced by Adatoms [PDF]
, 2013 The interaction of silicene with Si, C, H, O, Ti atoms along with H$_2$, H$_2$O and O$_2$ molecules are investigated and the induced functionalities thereof are analyzed using first principles density functional theory.
Ciraci, S., Özçelik, V. Ongun
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Supercell Spectrum. Part I: A Review of Research Related to Supercell Precipitation Morphology
E-Journal of Severe Storms Meteorology, 2021 This paper reviews the history of nomenclature used to describe the supercell spectrum. Studies are reviewed that attempt to explain the physical processes associated with variations in supercell morphology. The observational evidence for disparate risks associated with variations in morphology is examined.
Kyle Beatty +2 more
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