Three-dimensional steady supersonic duct flow using Lagrangian formulation

In this paper, numerical simulation of three-dimensional supersonic flow in a duct is presented. The flow field in the duct is complex and can find its applications in the inlet of air-breathing engines. A unique streamwise marching Lagrangian method is employed for solving the steady Euler equations. The method was first initiated by Loh and Hui (1990) for 2-D steady supersonic flow computations and then extended to 3-D computation by the present authors Loh and Liou (1992). The new scheme is shown to be capable of accurately resolving complicated shock or contact discontinuities and their interactions. In all the computations, a free stream of Mach numberM=4 is considered.This article was processed using Springer-Verlag T_EX Shock Waves macro package 1.0 and the AMS fonts, developed by the American Mathematical Society.     

X-ray fluorescence intensity distribution in circular specimens

Summary The relative X-ray fluorescence (XRF) intensities for annular source and various annular specimen are measured with a Ge-Li detection system and calculated by the Monte Carlo numerical techniques (MCNT).Kα X-ray intensities of annular specimens with different radii prepared from a pure-molybdenum foil are measured and it is seen that the measured values are in good agreement with the values calculated by MCNT. The variation of the fluorescence intensity due to the collimator radius is also studied. The differences between the MCNT and experimental results are discussed in terms of the possible sources of errors.     

Phenomenological πN→ππN amplitude and the modelling of the Olsson–Turner and Chew–Low approaches

The phenomenological amplitude for the reaction πN→ππN fixed by fittings to the experimental data in the energy region 0.300 ≤P _Lab≤ 500 MeV/c is used for modelling the Chew–Low extrapolation and Olsson–Turner threshold approach. It is shown that the uncritical application of the former results in enermous theoretical errors, the extracted values being in fact random numbers. The results of the Olsson–Turner method are characterized by significant systematic errors coming from unknown details of the isobar physics. Received: 10 December 1997     

In Search of Alternatives to Higgs Fields

Field equations of the S² sigma model (“the A3 model”) with spontaneously broken Z(2) symmetry are presented for (D+1)-dimensional space–time. The A3 model is an extension of the sine-Gordon equation (SGE) and supports kink-like U(1) charged solitons which are a generalization of neutral solitons of the SGE. The natural question arises — is the A3 model completely integrable in (1+1)-dimensional space–time? The Lorentz-invariant scalar A3 field can be viewed as a promising alternative to the Higgs field.     

On the finite-size scalling equation for the spherical model

The mean spherical model with an arbitrary interaction potential, the Fourier transform of which has a long-wavelength exponent , 0<2, is considered under periodic boundary conditions and fully finite geometry ind dimensions, when <d<2. A new form of the finite-size scaling equation for the spherical field in the critical region is derived, which relates the temperature shift to Madelung-type lattice constants. The method of derivation makes use of the Poisson summation formula and a Laplace transformation of the momentumspace correlation function.On leave of absence from Institute of Mechanics and Biomechanics, Bulgarian Academy of Sciences, 1113 Sofia, Bulgaria.     

FT IR ATR Study of Molecular Interactions in the Urea/Dimethyl Sulfoxide and Urea/Diethyl Sulfoxide Binary Systems

FT IR ATR spectra of urea/dimethyl sulfoxide and urea/diethyl sulfoxide mixtures in the S=O and N—H stretching vibration regions at different molar ratios have been measured. On the basis of the band deconvolution data, various types of intermolecular associated forms, including dimers and hydrogen-bonded urea–sulfoxide complexes, have been revealed. The latter has been confirmed also by ab initio calculations.     

Equilibrium and NMR Studies of Noncovalent Interactions in Binary Systems: Uridine,Adenosine, Cytidine and Thymidine,and Adenosine (or Cytidine) 5′-Monophosphate in Aqueous Solution

The molecular complex formation reactions of uridine (Urd) with adenosine (Ado), cytidine (Cyd), thymidine (Thd), adenosine 5-monophosphate (AMP) and cytidine 5-monophosphate (CMP) have been studied at 20°C. It was found that the main positive noncovalent centers of ion–dipole and dipole–dipole type interactions are the protonated N(3) atoms of Urd, whereas the negative centers are the endocyclic atoms of the bases characterized by high electron density from the second molecule involved in the reaction. Moreover, NMR results indicate the occurrence of stacking in the complex (Urd)H(Cyd), whereas in the complex, (Urd)H₂(Thd), it is the only type of interaction. Deprotonation of the latter species brings about a change in the character of the reaction and ion–dipole interactions have been detected in the adduct, (Urd)H(Thd). Interestingly, no involvement of the phosphate groups in the formation of AMP and CMP adducts has been evidenced and the main centers of the reactions were found to be the N(7)and N(1) atoms of AMP, or the N(3) atoms of CMP and Urd. Moreover, in the Urd/CMP system the NMR results suggest stacking-type interactions.     

Molecular modeling study of the differential ligand–receptor interaction at the μ, δ and κ opioid receptors

3D models of the opioid receptors , and were constructed using BUNDLE, an in-house program to build de novo models of G-protein coupled receptors at the atomic level. Once the three opioid receptors were constructed and before any energy refinement, models were assessed for their compatibility with the results available from point-site mutations carried out on these receptors. In a subsequent step, three selective antagonists to each of three receptors (naltrindole, naltrexone and nor-binaltorphamine) were docked onto each of the three receptors and subsequently energy minimized. The nine resulting complexes were checked for their ability to explain known results of structure-activity studies. Once the models were validated, analysis of the distances between different residues of the receptors and the ligands were computed. This analysis permitted us to identify key residues tentatively involved in direct interaction with the ligand.