There is an important interaction between the pumping performance of the ventricle, arterial haemodynamics and coronary blood flow. While previous non-linear 1D models have focused only on one of these components, the model presented in this study…
Papers in Properties
Properties papers in Materials Science, A
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This article proposes a 3-dimensional (3D) vision-based ambient user interface as an interaction metaphor that exploits a user's personal space and its dynamic gestures. In human-computer interaction, to provide natural interactions with a system, a…
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PURPOSE: We conducted a comparative study to optimize the scanning and inhalation protocols for xenon CT cerebral blood flow (CBF) examination (Xe CT), with the aim of improving the practical performance of Xe CT as a routine clinical examination.…
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Die Funktionsweise von Thermoelementen wird in Lehrbüchern der Experimentalphysik, in Schulbüchern und in Anfängerpraktika an Hochschulen zumeist einfach auf die auftretenden Kontaktspannungen bzw. deren Temperaturabhängigkeit zurückgeführt. Die…
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Ranitidine tablets USP showed variable intra- and inter-lab dissolution results. In order to ascertain the reason for this behavior, ranitidine tablets USP produced by (BIPI) Boehringer Ingelheim Pharmaceuticals Inc., Ridgefield, CT, and Zantac…
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We present a brief overview of recent ab initio based developments to designing bulk thermodynamic properties and phase equilibria for alloys. We also discuss the potential links that exist between ab initio methodologies and the Calphad…
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Presents a precedure to obtain the full real space interatomic force constants matrices using the direct supercell approach. It uses standard total energy codes with 10-20 atoms per cell. Phonon frequencies for any wave vector in the B-zone can be…
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Graphene-based sp(2)-carbon nanostructures such as carbon nanotubes and nanofibers can fail near their ideal strengths due to their exceedingly small dimensions. We have calculated the phonon spectra of graphene as a function of uniaxial tension by…
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A first-principle's method to predict the intercalation voltage for lithium in metal oxides is presented. Although the intercalation voltage for lithium is often related to aspects of the electronic structure, this voltage can only be accurately…
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We have made a first-principles calculation of the lattice specific heat of lithium. We calculated the interionic potential using a first-principles pseudopotential which was constructed from the induced electron density around a lithium ion in an…
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Ab initio calculations for the total energy and elastic properties of the C15-type Al2RE (RE = Sc, Y, Lanthanide) at T = 0 K have been performed by using the projector augmented-wave (PAW) method within the generalized gradient approximation (GGA).…
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The unpolarized absorption and circular dichroism spectra of the fundamental vibrational transitions of the chiral molecule 4-methyl-2-oxetanone are calculated ab initio. Harmonic force fields are obtained using density functional theory (DFT), MP2…
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For helium, the accuracy of calculated transport properties and virial coefficients based on an accurate ab initio potential now exceeds that of the best measurements. The ab initio results should be used to calibrate measuring apparatus.
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Energy bands, lattice consts., at. positions, charge d. contours, cohesive energies, formation enthalpies, and free energies are discussed of B12C3, B13 and B12 obtained from ab initio self-consistent pseudopotential calcns. on SciFinder (R)
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Bulk moduli appear readily accessible in electronic structure calculations, but the calculated values are often substantially greater than experimental bulk moduli. This discrepancy is the result of an unfair comparison of calculated and…
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Point defects in Fe and dilute FeCu alloys are investigated by ab initio calculations based on density functional theory. The relaxed vacancy and interstitial and substitutional Cu atom formation energies are determined as well as some migration…
Papers in associated sub-disciplines
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