Challenges in neutron spin echo spectroscopy

With the new brilliant neutron sources and the developments of novel optical elements, neutron spin echo (NSE) spectroscopy evolves to tackle new problems and scientific fields. The new developments pave the way to complex experimental set-ups such as the intensity modulated variant of NSE (IMNSE), a powerful technique which was introduced some 20 years ago but found limited use up to now. With the new compact supermirror or He³ polarizers IMNSE becomes attractive for a broad range of applications in magnetism, soft matter and biology. A novel development along this line is the polarimetric NSE technique, which combines IMNSE and the zero-field polarimeter Cryopad to access components of the scattered polarization that are transverse to the incoming polarization. Polarimetric NSE is the method of choice for studying chiral fluctuations, as illustrated by new results on the reference helimagnet MnSi.     

Spherical neutron polarimetry applied to spin-echo and time-of-flight spectroscopy

The changes in direction of the neutron spin that take place on scattering by a magnetic interaction vector are highly dependent on their relative directions. In some circumstances, without zero-field polarimeter, it is impossible to distinguish between a simple depolarisation and a rotation of the polarisation vector.Motivated by the investigation of chiral magnetic fluctuations, we have implemented the third-generation zero-field polarimeter Cryopad on the neutron spin-echo spectrometer SPAN at the Helmholtz Centre Berlin (HCB). We present the method and the limitations of this novel technique that is now available on IN15 at the ILL.The huge progress accomplished with ³He neutron spin filters/flippers are going to facilitate the exploitation of polarised beams at spallation sources. Zero-field polarimeters like Cryopad are used routinely at several steady-state sources but their design would be inefficient at a pulse source. We have investigated the possibility to implement a zero-field polarimeter on a time-of-flight spectrometer. We propose a design that would lead to a better efficiency and present the finite element calculations.     

Theoretical studies of thiols and disulfides. Conformations,barriers and proton affinities

Results from an ab-initio MO LCAO SCF study of RSSR, RSH and RS^? (R = H, CH₃) in a minimal and a double zeta basis and cysteine [COO^?CH(NH⁺₃)CH₂SH] and cysteine anion in a minimal basis are reported. The barriers and conformational preference of the disulfides are discussed and it is suggested that their origin is more confined to the disulfide region than previously believed. The proton affinities of the different RS^? ions are calculated, whereas the protonation of the disulfide bond is studied by use of the molecular electrostatic potential. The good agreement of the results in the minimal and the double zeta basis is discussed.     

Measuring complexation by single-molecule fluorescence anisotropy

The complexation of a fluorescent probe by a target protein was observed by single-molecule fluorescence anisotropy. Free and bound states, heterogeneities, and rare binding events can all be observed by this approach. Fluorophore-conjugated biotin was used to bind to NeutrAvidin as a proof-of-concept case. Molecular interactions were observed that could not be elucidated with conventional (ensemble) measurements.     

Representations of generalized inverses via full-rank QDR decomposition

Numerical Algorithms - In this paper, novel representations of generalized inverses of rational matrices are developed. Therefore, a unified approach for the computation of {1,2,3} and {1,2,4}...     

Evidence for Bs* Bs* production at the Gamma(5S) resonance

We use data collected by the CLEO III detector at the Cornell Electron Storage Ring to measure the inclusive yields of D(s) mesons as B(Y(5S) --> D(s)X) = (44-7 +/- 4.2 +/- 9.9)% and B(Y(4S) --> D(s)X) = (18.1 +/- 0.5 +/- 2.8)%. From these measurements, we make a model dependent estimate of the ratio of B(s)*B(s)* to the total bb quark pair production of (16.0 +/- 2.6 +/- 5.8)% at the Y(5S) energy.     

Optimal solutions to differential inclusions in presence of state constraints

Necessary conditions in terms of the Hamiltonian are given for optimal solutions to the differential inclusion problem when state constraints are present. This result extends a result of Clarke for the unconstrained problem. The data are nonsmooth, nonlinear, nonconvex. The method incorporates the state constraint in the cost functional as a penalty term for a sequence of unconstrained problems that approximate our problem. An application of Ekeland's variational principle, the known necessary conditions for the auxiliary problems, and a limiting process provide the necessary conditions.     

Non-uniqueness of the source for singular gauge fields

We show that the singular Wu-Yang solution for SU(2) gauge fields may be interpreted as due to a point source at the origin. However, the electric or magnetic nature of the source depends on whether one approaches the singularity by means of a “smeared” potential or a “smeared” field strength.