Isomer and decay studies for the rp process at IGISOL

Low-energy-particle-induced fission is a cost-effective way to produce neutron-rich nuclei for spectroscopic studies. Fission has been utilized at the IGISOL to produce isotopes for decay and nuclear structure studies, collinear laser spectroscopy and precision mass measurements. The ion guide technique is also very suitable for the fission yield measurements, which can be performed very efficiently by using the Penning trap for fission fragment identification and counting. The proton- and neutron-induced fission yield measurements at the IGISOL are reviewed, and the independent isotopic yields of Zn, Ga, Rb, Sr, Cd and In in 25MeV deuterium-induced fission are presented for the first time. Moving to a new location next to the high intensity MCC30/15 light-ion cyclotron will allow also the use of the neutron-induced fission to produce the neutron rich nuclei at the IGISOL in the future.     

Synthesis and hydrolysis behaviour of poly(ester anhydrides) from polylactone precursors containing alkenyl moieties

Hydroxyl-group functional polylactones were prepared and converted to acid- terminated polyesters in a reaction with a series of alkenylsuccinic anhydrides containing 8, 12, or 18 carbons in their alkenyl chains. These polyester precursors were then linked into higher molecular weight poly(ester anhydrides) containing alkenyl moieties in their polyester blocks. The hydrolysis behaviour of the poly(ester anhydrides) was found to depend on the thermal properties of the polyester precursors. For poly(ester anhydrides) prepared from low molecular weight prepolymers with thermal transitions below 37 degrees C, the presence of hydrophobic alkenyl chains in the polyester precursors slowed the rate of weight loss. Poly(ester anhydrides) prepared from higher molecular weight prepolymers showed the opposite weight-loss behaviour; i.e., the crystallinity and thermal transitions of the alkenyl chain-containing poly(ester anhydrides) were low, and the weight loss was faster than for poly(ester anhydrides) without the alkenyl chains. The differences in length of the alkenyl chain, as such, had little effect on the hydrolysis behaviour and thermal properties of the poly(ester anhydrides).     

Correlation of hydrogen bond lengths and angles in liquid water based on Compton scattering

The temperature-dependent hydrogen-bond geometry in liquid water is studied by x-ray Compton scattering using synchrotron radiation combined with density functional theory analysis. Systematic changes, related to the weakening of hydrogen bonding, are observed in the shape of the Compton profile upon increasing the temperature. Using model calculations and published distribution functions of hydrogen-bond geometries obtained from a NMR study we find a significant correlation between the hydrogen-bond length and angle. This imposes a new constraint on the possible local structure distributions in liquid water. In particular, the angular distortions of the short hydrogen bonds are significantly restricted.     

Experimental studies at JYFLTRAP

JYFLTRAP is a Penning trap system at the accelerator laboratory in Jyväskylä, Finland that enables high-precision experiments with stored, exotic species that are produced at the IGISOL facility. On one hand, these can be performed within the trap itself, like e.g. mass spectrometry. On the other hand, the trap can be used to provide the highly purified species for further experiments, e.g. for trap-assisted nuclear decay spectroscopy. This contribution focuses on these two possible applications with the presentation of some recent results on superallowed beta decays.     

Standardization for oxygen isotope ratio measurement - still an unsolved problem

Numerous organic and inorganic laboratory standards were gathered from nine European and North American laboratories and were analyzed for their delta(18)O values with a new on-line high temperature pyrolysis system that was calibrated using Vienna standard mean ocean water (VSMOW) and standard light Antartic precipitation (SLAP) internationally distributed reference water samples. Especially for organic materials, discrepancies between reported and measured values were high, ranging up to 2 per thousand. The reasons for these discrepancies are discussed and the need for an exact and reliable calibration of existing reference materials, as well as for the establishment of additional organic and inorganic reference materials is stressed. Copyright 1999 John Wiley & Sons, Ltd.     

Experimental and computational study of crystalline formic acid composed of the higher-energy conformer

Crystalline formic acid (FA) is studied experimentally and by first-principles simulations in order to identify a bulk solid structure composed of the higher-energy (cis) conformer. In the experiments, deuterated FA (HCOOD) was deposited in a Ne matrix and transformed to the cis conformer by vibrational excitation of the ground state (trans) form. Evaporation of the Ne host above 13 K prepared FA in a bulk solid state mainly composed of cis-FA. Infrared absorption spectroscopy at 4.3 K shows that the obtained solid differs from that composed of trans-FA molecules and that the state persists up to the annealing temperature of at least 110 K. The first-principles simulations reveal various energetically stable periodic chain structures containing cis-FA conformers. These chain structures contain either purely cis or both cis and trans forms. The vibrational frequencies of the calculated structures were compared to the experiment and a tentative assignment is given for a novel solid composed of cis-FA.     

Nuclear structure studies of neutron-rich fission fragments performed at JYFLTRAP

The JYFLTRAP double Penning trap setup at the University of Jyväskylä, Finland has been used to perform a wide range of studies related to neutron-rich fission fragments that can be produced with the Ion Guide Isotope Separator On-Line (IGISOL) method. Experimental results from high-precision mass measurements and decay-spectroscopy measurements have allowed us to investigate the nuclear structure of exotic neutron-rich nuclei.     

Production of pure 133mXe for CTBTO

Underground nuclear weapon detonations release gaseous species into the atmosphere. The most interesting isotopes/isomers from the detection point of view are ^131mXe, ^133mXe, ¹³³Xe and ¹³⁵Xe. We have developed a method that employs high-precision Penning trap mass spectrometry at the JYFLTRAP facility, the University of Jyväskylä, to produce pure calibration samples of these isotopes/isomers. Among developments this work required a new mass resolution record of a few parts-per-million. Here the status and future plans of the project are reviewed.     

Ab initio calculations of the photoionization of diatomic molecules

A review is presented of the calculation of photoionization spectra, particularly in the spectral range where electron autoionization of diatomic molecules takes place. In addition to some interesting results obtained over years that compare favourably with experiment, the emphasis here is put on the relation between the methods developed for the calculation of observables associated with the continuum energy spectrum of the electrons and the Alchemy system of programs. This system of programs serves as a basis for initial and intermediate calculations. The examples presented show that diatomic molecules not only in gas phase but also oriented in space or physisorbed at surfaces may be studied readily.     

Finite-element implementation for electron transport in nanostructures

We have modeled transport properties of nanostructures using Green's-function method within the framework of the density-functional theory. The scheme is computationally demanding, so numerical methods have to be chosen carefully. A typical solution to the numerical burden is to use a special basis-function set, which is tailored to the problem in question, for example, the atomic-orbital basis. In this paper we present our solution to the problem. We have used the finite-element method with a hierarchical high-order polynomial basis, the so-called p elements. This method allows the discretation error to be controlled in a systematic way. The p elements work so efficiently that they can be used to solve interesting nanosystems described by nonlocal pseudopotentials. We demonstrate the potential of the implementation with two different systems. As a test system a simple Na-atom chain between two leads is modeled and the results are compared with several previous calculations. Secondly, we consider a thin hafnium dioxide (HfO2) layer on a silicon surface as a model for a gate structure of the next generation of microelectronics.