Electron microscopy and diffraction of icosahedral twins in an aluminium—manganese alloy

The existence of icosahedral twins has been established in Al-10at.% Mn alloy. By a stereographic approach a close resemblance to the decagonal phase is pointed out. The simulation of twin diffraction patterns has been done based on the projection formalism. The physical significance of twinning in terms of hyperdimensional projection is discussed.

A neutron diffraction study of LaBa2Cu3O7−δ

The correlation between structure and oxygen content in the LaBa2Cu3O7+δ was investigated by neutron powder diffraction. It is shown that the structure is orthorhombic (Pmmm) when δ = −0.04 and tetragonal (P4/mmm) when δ = −0.06. Such a change in structure accompanying a very small variation in oxygen stoichiometry is remarkable. In the orthorhombic structure of the δ = −0.04 sample, there is 70% oxygen occupancy for the linear chain site Image and 34% for the Image site. The La sites have 13.6% Ba when δ = −0.04 and 11.2% Ba when δ = −0.06; the Ba sites have 10% La in both cases.

X-ray diffraction from single Al6CuLi3 grains showing five-fold symmetry

We present here the detailed results of X-ray diffraction from single quasicrystals of Al6CuLi3. X-ray precession photographs taken down the two-, three- and five-fold axes along with rotation and zero-level Weissenberg photographs are shown. Preliminary analysis of the diffraction data rules out the twin hypothesis.

Central Diffraction at ALICE

The ALICE experiment is shown to be well suited for studies of exclusive final states from central diffractive reactions. The gluon-rich environment ofthe central system allows detailed QCD studies and searches for exotic mesonstates, such as glueballs, hybrids and new charmonium-like states. It wouldalso provide a good testing ground for detailed studies of heavy quarkonia. Dueto its central barrel performance, ALICE can accurately measure the low-masscentral systems with good purity. The efficiency of the Forward MultiplicityDetector (FMD) and the Forward Shower Counter (FSC) system for detectingrapidity gaps is shown to be adequate for the proposed studies. With thisdetector arrangement, valuable new data can be obtained by tagging centraldiffractive processes.

Empirical torsional potential functions from protein structure data. Phi- and psi-potentials for non-glycyl amino acid residues.

The torsional potential functions Vt(phi) and Vt(psi) around single bonds N--C alpha and C alpha--C, which can be used in conformational studies of oligopeptides, polypeptides and proteins, have been derived, using crystal structure data of 22 globular proteins, fitting the observed distribution in the (phi, psi)-plane with the value of Vtot(phi, psi), using the Boltzmann distribution. The averaged torsional potential functions, obtained from various amino acid residues in L-configuration, are Vt(phi) = 1.0 cos (phi + 60 degrees); Vt(psi) = 0.5 cos (psi + 60 degrees) - 1.0 cos (2 psi + 30 degrees) - 0.5 cos (3 psi + 30 degrees). The dipeptide energy maps Vtot(phi, psi) obtained using these functions, instead of the normally accepted torsional functions, were found to explain various observations, such as the absence of the left-handed alpha helix and the C7 conformation, and the relatively high density of points near the line psi = 0 degrees. These functions derived from observational data on protein structures, will, it is hoped, explain various previously unexplained facts in polypeptide conformation.

An X-ray and neutron diffraction study of cation substituted TlSr2CuO5

The structures of TlSr(2−x)LaxCuO(5+δ), with x=0.5, 0.75 and 1, and Tl.5Pb0.5Sr2CuO(5+δ) have been examined with X-ray and neutron powder Rietveld refinement. They are isostructural (P4/mmm) with the corresponding thallium-barium cuprate having one Cu-O layer with Cu3+ ions in octahedral coordination with oxygen (structure type 1201). The influence of cation substitution and disorder on the structure and superconducting properties of these phases have been investigated. La3+ substitution for Sr2+ stabilises the structure and reduces Cu3+, permitting superconductivity, while Pb2+ substitution for Tl3+ only stabilises the structure, without reducing Cu3+.

C-H…O hydrogen bond mediated chain reversal in a peptide containing g-amino acid residue, determined directly from powder X-ray diffraction data

The finding that peptides containing -amino acid residues give rise to folding patterns hitherto unobserved in -amino acid peptides[1] has stimulated considerable interest in the conformational properties of peptides built from , and residues,[2] as the introduction of additional methylene (CH2) units into peptide chains provides further degrees of conformational freedom.

Solution of a Boundary-Value Problem associated with Diffraction of Water Waves by a Nearly Vertical Barrier

An exact solution is derived for a boundary-value problem for Laplace's equation which is a generalization of the one occurring in the course of solution of the problem of diffraction of surface water waves by a nearly vertical submerged barrier. The method of solution involves the use of complex function theory, the Schwarz reflection principle, and reduction to a system of two uncoupled Riemann-Hilbert problems. Known results, representing the reflection and transmission coefficients of the water wave problem involving a nearly vertical barrier, are derived in terms of the shape function.

Empirical torsional potential functions from protiesn structure DATA Phi- and Psi-Potentials for Non-glycyl Amino Acid Residues

The torsional potential functions Vt(φ) and Vt(ψ) around single bonds N–Cα and Cα-C, which can be used in conformational studies of oligopeptides, polypeptides and proteins, have been derived, using crystal structure data of 22 globular proteins, fitting the observed distribution in the (φ, ψ)-plane with the value of Vtot(φ, ψ), using the Boltzmann distribution. The averaged torsional potential functions, obtained from various amino acid residues in l-configuration, are Vt(φ) = – 1.0 cos (φ + 60°); Vt(ψ) = – 0.5 cos (ψ + 60°) – 1.0 cos (2ψ + 30°) – 0.5 cos (3ψ + 30°). The dipeptide energy maps Vtot(φ, ψ) obtained using these functions, instead of the normally accepted torsional functions, were found to explain various observations, such as the absence of the left-handed alpha helix and the C7 conformation, and the relatively high density of points near the line ψ = 0°. These functions, derived from observational data on protein structures, will, it is hoped, explain various previously unexplained facts in polypeptide conformation.

A Direct Approach to the Problem of Diffraction by a Half-Plane under Mixed Boundary Conditions

A general direct technique of solving a mixed boundary value problem in the theory of diffraction by a semi-infinite plane is presented. Taking account of the correct edge-conditions, the unique solution of the problem is derived, by means of Jones' method in the theory of Wiener-Hopf technique, in the case of incident plane wave. The solution of the half-plane problem is found out in exact form. (The far-field is derived by the method of steepest descent.) It is observed that it is not the Wiener-Hopf technique which really needs any modification but a new technique is certainly required to handle the peculiar type of coupled integral equations which the Wiener-Hopf technique leads to. Eine allgemeine direkte Technik zur Lösung eines gemischten Randwertproblems in der Theorie der Beugung an einer halbunendlichen Ebene wird vorgestellt. Unter Berücksichtigung der korrekten Eckbedingungen wird mit der Methode von Jones aus der Theorie der Wiener-Hopf-Technik die eindeutige Lösung für den Fall der einfallenden ebenen Welle hergeleitet. Die Lösung des Halbebenenproblems wird in exakter Form angegeben. (Das Fernfeld wurde mit der Methode des steilsten Abstiegs bestimmt.) Es wurde bemerkt, daß es nicht die Wiener-Hopf-Technik ist, die wirklich irgend welcher Modifikationen bedurfte. Gewiß aber wird eine neue Technik zur Behandlung des besonderen Typs gekoppelter Integralgleichungen benötigt, auf die die Wiener-Hopf-Technik führt.

Diffraction of a cylindrical pulse by a half plane under mixed boundary conditions

The general time dependent source problem has been solved by the method of transforms (Laplace, Lebedev–Kontorovich in succession) and the solution is obtained in the form of an infinite series involving Legendre functions. The solutions in the case of harmonic time dependence and the incident plane wave have been derived from the above solution and are presented in the form of an infinite series. In the case of an incident plane wave, the series has been summed and the final solution involves an improper integral which behaves like a complementary error function for large values of the argument. Finally, the far field evaluation has been shown. The results are compared with those of Sommerfeld's half-plane diffraction problem with unmixed boundary conditions.

Structural Relationships in 2,3-Bis-n-decyloxyanthracene and 12-Hydroxystearic Acid Molecular Gels and Aerogels Processed in Supercritical CO2

Supercritical carbon dioxide is used to prepare aerogels of two reference molecular organogelators, 2,3-bis-n-decyloxyanthracene (DDOA) (luminescent molecule) and 12-hydroxystearic acid (HSA). Electron microscopy reveals the fibrillar morphology of the aggregates generated by the protocol. SAXS and SANS measurements show that DDOA aerogels are crystalline materials exhibiting three morphs: (1) arrangements of the crystalline solid (2D p6m), (2) a second hexagonal morph slightly more compact, and (3) a packing specific of the fibers in the gel. Aggregates specific of the aerogel (volume fraction being typically phi approximate to 0.60) are developed over larger distances (similar to 1000 angstrom) and bear fewer defaults and residual strains than aggregates in the crystalline and gel phases. Porod, Scherrer and Debye-Bueche analyses of the scattering data have been performed. The first five diffraction peaks show small variations in position and intensity assigned to the variation of the number of fibers and their degree of vicinity within hexagonal bundles of the related SAFIN according to the Oster model. Conclusions are supported by the guidelines offered by the analysis of the situation in HSA aerogels for which the diffraction pattern can be described by two coexisting lamellar-like arrangements. The porosity of the aerogel, as measured by its specific surface extracted from the scattering invariant analysis, is only 1.8 times less than that of the swollen gel and is characteristic of a very porous material.