Globule transitions of a single homopolymer: A Wang-Landau Monte Carlo study

The temperature-independent Wang-Landau Monte Carlo approach is implemented for an off-lattice model of flexible homopolymers and applied to the coil-globule and solidification transitions based on chain sizes up to N=300. An intermediate transformation from low-density liquid globule to high-density liquid globule is suggested. A scheme for identifying polymer structures representative of particular temperatures in the course of the simulation is presented and applied to illustrate intermediate states in the coil-globule transition. Transition temperatures are calculated and used to obtain a theta point of at least Θ=1.96, distinctly higher than the solid-liquid transition temperature TM =1.26

Lewis-Acid/Base Effects on Gallium Volatility in Molten Chlorides

It has been proposed that GaCl{sub 3} can be removed by direct volatilization from a Pu-Ga alloy that is dissolved in a molten chloride salt. Although pure GaCl{sub 3} is quite volatile (boiling point, 201 C), the behavior of GaCl{sub 3} dissolved in chloride salts is different due to solution effects and is critically dependent on the composition of the solvent salt (i.e., its Lewis-acid/base character). In this report, the behavior of gallium in prototypical Lewis-acid and Lewis-base salts is compared. It was found that gallium volatility is suppressed in basic melts and enhanced in acidic melts. The implications of these results on the potential for simple gallium removal in molten salt systems are significant

Quantum effects on the dynamics of a two-mode atom-molecule Bose-Einstein condensate

We study the system of coupled atomic and molecular condensates within the two-mode model and beyond mean-field theory (MFT). Large amplitude atom-molecule coherent oscillations are shown to be damped by the rapid growth of fluctuations near the dynamically unstable molecular mode. This result contradicts earlier predictions about the recovery of atom-molecule oscillations in the two-mode limit. The frequency of the damped oscillation is also shown to scale as $\sqrt{N}/\log N$ with the total number of atoms $N$, rather than the expected pure $\sqrt{N}$ scaling. Using a linearized model, we obtain analytical expressions for the initial depletion of the molecular condensate in the vicinity of the instability, and show that the important effect neglected by mean field theory is an initially non-exponential `spontaneous' dissociation into the atomic vacuum. Starting with a small population in the atomic mode, the initial dissociation rate is sensitive to the exact atomic amplitudes, with the fastest (super-exponential) rate observed for the entangled state, formed by spontaneous dissociation.Comment: LaTeX, 5 pages, 3 PostScript figures, uses REVTeX and epsfig, submitted to Physical Review A, Rapid Communication

Molten Salt Fuel Cycle Requirements for ADTT Applications

The operation of an ADT system with the associated nuclear reactions has a profound effect upon the chemistry of the fuel - especially with regards to container compatibility and the chemical separations that may be required. The container can be protected by maintaining the redox chemistry within a relatively narrow, non-corrosive window. Neutron economy as well as other factors require a sophisticated regime of fission product separations. Neither of these control requirements has been demonstrated on the scale or degree of sophistication necessary to support an ADT device. We review the present situation with respect to fluoride salts, and focus on the critical issues in these areas which must be addressed. One requirement for advancement in this area - a supply of suitable materials - will soon be fulfilled by the remediation of ORNL�s Molten Salt Reactor Experiment, and the removal of a total of 11,000 kg of enriched (Li-7 > 99.9%) coolant, flush, and fuel salts

An integrated evaluation of potential management processes on marine reserves in continental Ecuador based on a Bayesian belief network model

Evaluating potential effects of conservation and management actions in marine reserves requires an understanding not only of the biological processes in the reserve, and between the reserve and the surrounding ocean, but also of the effects of the wildlife on the wider political and economic processes. Such evaluations are made considerably more difficult in the absence of good ecological data from within reserves or consistent data between reserves and the wider marine environment, as is the case in much of mainland Ecuador. We present an approach to evaluate the effects of a wide range of possible management processes on the marine ecology of the Machalilla National Park, as well as that of the surrounding marine environments (including recently established reserves) and related socio-economic pressures. The approach is based on Bayesian belief networks, and as such can be used in the presence of sparse data from multiple and disparate sources. We show that currently there are no observable benefits of marine reserves to reef and fish community structure, and that high value (normally predatory) fish, which are sought by fishers and shark finners are frequently absent from reef systems. We demonstrate that there is broad similarity in ecological communities between most shallow marine systems, in or out of marine reserves, and predict there can be a strong effect from actions outside the reserve on what is present within it. We also show that establishing a stronger link between (responsible) ecotourism and the marine environment could reduce the need for income in other more destructive areas, such as fishing and particularly shark finning, and discuss ways that high value, low impact eco-tourism could be introduced

Review of ORNL`s MSR technology and status

The current status of molten salt reactor development is discussed with reference to the experience from the Oak Ridge Molten Salt Reactor Experiment. Assessment of the future for this reactor system is reviewed with consideration of both advantages and disadvantages. Application of this concept to ADTT (accelerator driven transmutation technology) needs appears to be feasible by drawing on the MSRE experience. Key chemical considerations remain as: solubility, redox behavior, and chemical activity and their importance to ADTT planning is briefly explained. Priorities in the future development of molten salts for these applications are listed, with the foremost being the acceptance of the 2LiF-BeF{sub 2} solvent system. 8 refs, 2 figs

Accuracy and Limitations of Fitting and Stereoscopic Methods to Determine the Direction of Coronal Mass Ejections from Heliospheric Imagers Observations

Using data from the Heliospheric Imagers (HIs) onboard STEREO, it is possible to derive the direction of propagation of coronal mass ejections (CMEs) in addition to their speed with a variety of methods. For CMEs observed by both STEREO spacecraft, it is possible to derive their direction using simultaneous observations from the twin spacecraft and also, using observations from only one spacecraft with fitting methods. This makes it possible to test and compare different analyses techniques. In this article, we propose a new fitting method based on observations from one spacecraft, which we compare to the commonly used fitting method of Sheeley et al. (1999). We also compare the results from these two fitting methods with those from two stereoscopic methods, focusing on 12 CMEs observed simultaneously by the two STEREO spacecraft in 2008 and 2009. We find evidence that the fitting method of Sheeley et al. (1999) can result in significant errors in the determination of the CME direction when the CME propagates outside of 60deg \pm 20 deg from the Sun-spacecraft line. We expect our new fitting method to be better adapted to the analysis of halo or limb CMEs with respect to the observing spacecraft. We also find some evidence that direct triangulation in the HI fields-of-view should only be applied to CMEs propagating approximatively towards Earth (\pm 20deg from the Sun-Earth line). Last, we address one of the possible sources of errors of fitting methods: the assumption of radial propagation. Using stereoscopic methods, we find that at least seven of the 12 studied CMEs had an heliospheric deflection of less than 20deg as they propagated in the HI fields-of-view, which, we believe, validates this approximation.Comment: 17 pages, 6 figures, 2 tables, accepted to Solar Physic

Efficient Selfconsistent Calculations of Multiband Superconductivity in UPd2_2Al3_3

An efficient physically motivated computational approach to multiband superconductivity is introduced and applied to the study of the gap symmetry in a heavy-fermion, UPd$_2$Al$_3$. Using realistic pairing potentials and accurate energy bands that are computed within density functional theory, self-consistent calculations demonstrate that the only accessible superconducting gap with nodes exhibits d-wave symmetry in the $A_{1g}$ representation of the $D_{6h}$ point group. Our results suggest that in a superconductor with gap nodes the prevailing gap symmetry is dictated by the constraint that nodes must be as far as possible from high-density areas

Electrochemical behavior of Ti/Al2O3 interfaces produced by diffusion bonding

In the field of biomedical applications a special interest exists regarding the study of the physicochemical and mechanical behaviour of materials, with special focus on the electrochemical degradation of metal/ceramic interfaces. In fact, etal/ceramic interfaces may be present in several biomedical devices, ranging from external or implantable sensors, to dental implants. Diffusion bonding represents an important technique since, in opposition to other production technologies, such as active metal brazing, avoid the possible liberation of certain chemical components harmful to health. The aim of this work is to study the electrochemical degradation of the interface formed between commercially pure Ti and Al2O3 produced by diffusion bonding, in contact with a physiological solution. The present approach included the evaluation of the contribution of individual and pairs of interfacial layers on the global degradation processes. For this propose d.c. electrochemical techniques were used to monitor the open-circuit potential, and to perform potentiodynamic polarization and galvanic corrosion evaluation. Also, electrochemical impedance spectroscopy was used as a complementary technique of the corrosion behaviour of the interface. Chemical composition and morphology of samples and corrosion products were evaluated by SEM and EDS analysis. According to experimental results, two principal reaction layers were formed in the interface: TiAl and Ti3Al. The TiAl layer appears to be the responsible for the strong increase in corrosion rate of the interface.Fundação para a Ciência e Tecnologia -POCTI/CTM/33384/2000; SFRH/BPD/ 5518/2001