Continuous demixing at liquid-vapor coexistence in a symmetrical binary fluid mixture

We report a Monte Carlo finite-size scaling study of the demixing transition of a symmetrical Lennard-Jones binary fluid mixture. For equal concentration of species, and for a choice of the unlike-to-like interaction ratio delta=0.7, this transition is found to be continuous at liquid-vapor coexistence. The associated critical end point exhibits Ising-like universality. These findings confirm those of earlier smaller scale simulation studies of the same model, but contradict the findings of recent integral equation and hierarchical reference theory investigations.Comment: 7 pages, 6 figure

Blood is thicker than baptismal water: A late medieval perinatal burial in a small household chest

The interment of stillborn infants in later medieval burial grounds stands at odds with Catholic Church Law, which forbade the inclusion of unbaptised children within consecrated ground. When perinatal remains occur within graveyards, their interpretation can be problematic. Did they live to be baptised, or do such examples represent clandestine burials? Historical documents indicate that some parents disobeyed the Church and secretly buried their offspring within consecrated ground. Proving such actions in the archaeological record, however, is another matter. This paper therefore investigates the discovery of a perinatal burial (Sk953) within a rural graveyard at Poulton in Cheshire, England, placed in a small household box. A multi‐faceted approach was used to interpret the varying strands of evidence. These comprised church law, the birth, container, orientation of the corpse, local topography, date of burial, and status of the graveyard when the infant was interred. The authors interpret the evidence as characteristic of a clandestine burial, and a rare expression of grief and love visible in the archaeological record

Stroboskopie versus Hochgeschwindigkeits-Glottographie: ein Vergleich

Einleitung: Unter Anwendung stroboskopischer Beurteilungskriterien sollte in dieser Studie die diagnostische Aussagekraft der Video-Stroboskopie (VS) und der Hochgeschwindigkeits-Glottographie (HGG) verglichen werden. Patienten und Methoden: Bei 162 dysphonen Patienten wurden unmittelbar nacheinander sowohl eine VS als auch eine HGG durchgeführt. Die hieraus resultierenden 324 Aufnahmen wurden unabhängig von zwei Phoniatern anhand eines Protokolls beurteilt. Diesem Protokoll lagen die standardisierten Beurteilungskriterien der Stroboskopie zugrunde. Ergebnisse: Die Befundung "nicht beurteilbar" kam bei der VS signifikant häufiger vor als bei der HGG (p < 0,001). Methodische Fehler waren bei der HGG seltener und die Untersuchungszeit kürzer. Die Befundübereinstimmung beider Untersucher betrug bei der HGG 54% und bei der VS 42%. Diskussion: Die geringe Übereinstimmung beider Untersucher in der Befundung betraf sowohl die VS als auch die HGG. Als Grund hierfür sind die subjektiven Beurteilungskriterien zu nennen, die auf beide Untersuchungsverfahren angewendet wurden. Um den Vorteil der Echtzeitdarstellung von Stimmlippenschwingungen mit der HGG deutlicher zu nutzen, ist die Einbindung objektiver Auswertungen erforderlich

Multimode Jahn–Teller and pseudo-Jahn–Teller coupling effects in the photoelectron spectrum of CH<SUB>3</SUB>F

The multimode Jahn–Teller (JT) and pseudo-Jahn–Teller (PJT) coupling effects in the photoelectron spectrum of methylfluoride are theoretically investigated with the aid of an ab initio quantum dynamical approach. The theoretical findings are compared with the experimental results of Karlsson et al. [Phys. Scripta 16 (1977) 225]. At the vertical configuration, the ground, first and second excited electronic states of the methylfluoride radical cation belong to the <SUP>2</SUP>E, <SUP>2</SUP>A<SUB>1</SUB> and <SUP>2</SUP>E symmetry species. The three doubly degenerate vibrational modes cause a splitting of the degeneracy of the E electronic states of the radical cation and exhibit the (E⊗e)-JT effect. The same vibrational modes may also cause a coupling of the degenerate and the non-degenerate electronic states (PJT effect). In our theoretical approach we devise a model diabatic vibronic Hamiltonian within a quadratic vibronic coupling scheme. The parameters of the Hamiltonian are derived by performing extensive ab initio calculations at the CASSCF-MR-AQCC level of theory. The photoelectron bands are calculated by a quantum dynamical approach based on the Lanczos algorithm. A detailed examination of the various static and dynamic aspects of the problem reveals an interesting interplay of JT and PJT coupling effects in the photoelectron-induced dynamics of CH<SUB>3</SUB>F<SUP>+</SUP>. The resolved progression in the first photoelectron band corresponding to the ground X&#732;<SUP>2</SUP>E electronic manifold of CH<SUB>3</SUB>F<SUP>+</SUP> is found to be mainly caused by the C–F stretching (a1), C–F bending (e) and CH<SUB>3</SUB> deformation (e) modes. The JT coupling effects are not particularly strong in this electronic manifold. This also holds for the second photoelectron band attributed to the vibronic structure of the &#195;<SUP>2</SUP>A1 and B&#732;<SUP>2</SUP>E electronic states of CH<SUB>3</SUB>F<SUP>+</SUP>. However, the extremely large Condon activity of the symmetric vibrational modes in the &#195;<SUP>2</SUP>A1 electronic state contributes much to the broad and highly diffuse nature of this band which is also observed experimentally. The PJT activity of the anti-symmetric C–F bending (e) vibration in the X&#732;<SUP>2</SUP>E and B&#732;<SUP>2</SUP>E electronic states is also discussed