Debye–Waller Factor in Neutron Scattering by Ferromagnetic Metals

We obtain an expression for the neutron scattering cross section in the case of an arbitrary interaction of the neutron with the crystal. We give a concise, simple derivation of the Debye–Waller factor as a function of the scattering vector and the temperature. For ferromagnetic metals above the Curie temperature, we estimate the Debye–Waller factor in the range of scattering vectors characteristic of polarized magnetic neutron scattering experiments. In the example of iron, we compare the results of harmonic and anharmonic approximations.     

Numerical Continuation Method for Nonlinear System of Scalar and Functional Equations

Computational Mathematics and Mathematical Physics - We propose a numerical continuation method for a nonlinear system that consists of scalar and functional equations. At each parameter step, we...     

Resonance-enhanced multiphoton ionisation photoelectron spectroscopy of the ClO radical: the C 2 sigma- state

A (2 + 1) one-colour resonance-enhanced multiphoton ionisation study is carried out on the C 2 sigma- state of the ClO radical in the one-photon energy range 29,500-31,250 cm-1. The ClO radical is produced by one-photon photolysis of ClO2 employing 359.2 nm photons derived from a separate laser. In this way a significant concentration of vibrationally excited ClO in its spin-orbit split X 2 pi omega (omega = 3/2 or 1/2) electronic ground state is produced. In addition to mass-resolved excitation spectra, kinetic-energy resolved photoelectron spectra for the X 3 sigma-(v+)<--C 2 sigma-(v' = 3-5) transitions are measured. These transitions are not completely Frank-Condon diagonal, and indicate a decrease in bond length on removal of the Rydberg electron from the C 2 sigma- state. In addition to an unambiguous assignment of the C 2 sigma- state, valuable information is obtained on the degree of vibrational excitation with which the nascent ClO radical is formed in the photolysis of ClO2. Analysis of the photoelectron spectra is supported by Franck-Condon calculations based on potential energy curves either from experimental spectroscopic parameters, or obtained by theoretical ab initio methods.     

Photoelastic determination of stresses in multiple-pin connectors

The design, fabrication, and testing of photoelastic models of double-lap, multiple-pin connectors are discussed. Interest is in the stresses in the inner laps. These stresses are determined by constructing models with photoelastic inner laps and transparent-acrylic outer laps. The connectors have two pins, in tandem, parallel to the load direction. A photoelastic-isotropic point is shown to permit the evaluation of load sharing between the two pins. A numerical scheme, utilizing the isochromatic- and isoclinic-photoelastic data and a finite-difference representation of the planestress equilibrium equations, is used to compute the stresses around the two pins. Representative stress distributions and stress-concentration factors are shown.     

Phage display-derived inhibitor of the essential cell wall biosynthesis enzyme MurF

Background  

To develop antibacterial agents having novel modes of action against bacterial cell wall biosynthesis, we targeted the essential MurF enzyme of the antibiotic resistant pathogen Pseudomonas aeruginosa. MurF catalyzes the formation of a peptide bond between D-Alanyl-D-Alanine (D-Ala-D-Ala) and the cell wall precursor uridine 5'-diphosphoryl N-acetylmuramoyl-L-alanyl-D-glutamyl-meso-diaminopimelic acid (UDP-MurNAc-Ala-Glu-meso-A2pm) with the concomitant hydrolysis of ATP to ADP and inorganic phosphate, yielding UDP-N-acetylmuramyl-pentapeptide. As MurF acts on a dipeptide, we exploited a phage display approach to identify peptide ligands having high binding affinities for the enzyme.     

Fracture of thick laminated composites

The fracture of thick laminated graphite/epoxy composites has been the subject of an extensive research program. The program was divided into three major areas of investigation which included laminate thickness, laminate stacking sequence, and part-through surface flaws. The results from this program are reviewed with emphasis placed on their applicability to the design of thick laminated composite structures. Paper was presented at 1985 SEM Spring Conference on Experimental Mechanics held in Las Vegas on June 9–14, 1985.     

Spin–density correlations and magnetic neutron scattering in ferromagnetic metals

We obtain expressions for the spatial spin-density correlator and for effective and local magnetic moments in the dynamic spin-fluctuation theory. We derive formulas for the magnetic scattering cross section in the theory of itinerant electron magnets. We calculate magnetic characteristics of bcc Fe in the paramagnetic state and compare our numerical results with the polarized neutron scattering experiment. We show that the short-range order in bcc Fe persists up to a temperature much higher than the Curie temperature but at rather small distances (up to 5Å).     

Optimal gaussian approximation in the fluctuating field theory

We consider the problem of calculating the partition function given by the functional integral over an external field that fluctuates in space and in “time” τ ∈ [0, 1/T] (T is temperature). A method is presented for calculating such integrals with the help of the Gaussian approximation that takes into account dynamics and non-locality of the fluctuations. The method is based on the free energy minimum principle.