Frustration of crystallisation by a liquid–crystal phase

Frustration of crystallisation by locally favoured structures is critically important in linking the phenomena of supercooling, glass formation, and liquid-liquid transitions. Here we show that the putative liquid-liquid transition in n-butanol is in fact caused by geometric frustration associated with an isotropic to rippled lamellar liquid-crystal transition. Liquid-crystal phases are generally regarded as being “in between” the liquid and the crystalline state. In contrast, the liquid-crystal phase in supercooled n-butanol is found to inhibit transformation to the crystal. The observed frustrated phase is a template for similar ordering in other liquids and likely to play an important role in supercooling and liquid-liquid transitions in many other molecular liquids

Compilation of extended recursion in call-by-value functional languages

This paper formalizes and proves correct a compilation scheme for mutually-recursive definitions in call-by-value functional languages. This scheme supports a wider range of recursive definitions than previous methods. We formalize our technique as a translation scheme to a lambda-calculus featuring in-place update of memory blocks, and prove the translation to be correct.Comment: 62 pages, uses pi

Control over phase separation and nucleation using a laser-tweezing potential

Control over the nucleation of new phases is highly desirable but elusive. Even though there is a long history of crystallization engineering by varying physicochemical parameters, controlling which polymorph crystallizes or whether a molecule crystallizes or forms an amorphous precipitate is still a poorly understood practice. Although there are now numerous examples of control using laser-induced nucleation, the absence of physical understanding is preventing progress. Here we show that the proximity of a liquid–liquid critical point or the corresponding binodal line can be used by a laser-tweezing potential to induce concentration gradients. A simple theoretical model shows that the stored electromagnetic energy of the laser beam produces a free-energy potential that forces phase separation or triggers the nucleation of a new phase. Experiments in a liquid mixture using a low-power laser diode confirm the effect. Phase separation and nucleation using a laser-tweezing potential explains the physics behind non-photochemical laser-induced nucleation and suggests new ways of manipulating matter

Phonon drag thermopower and weak localization

Previous experimental work on a two-dimensional (2D) electron gas in a Si-on-sapphire device led to the conclusion that both conductivity and phonon drag thermopower $S^g$ are affected to the same relative extent by weak localization. The present paper presents further experimental and theoretical results on these transport coefficients for two very low mobility 2D electron gases in $\delta-$doped GaAs/Ga$_x$Al$_{1-x}$As quantum wells. The experiments were carried out in the temperature range 3-7K where phonon drag dominates the thermopower and, contrary to the previous work, the changes observed in the thermopower due to weak localization were found to be an order of magnitude less than those in the conductivity. A theoretical framework for phonon drag thermopower in 2D and 3D semiconductors is presented which accounts for this insensitivity of $S^g$ to weak localization. It also provides transparent physical explanations of many previous experimental and theoretical results.Comment: 19 page Revtex file, 3 Postscript figur

Programming language specification and implementation

The specification of a programming language is a special case of the specification of software in general. This paper discusses the relation between semantics and implementation, or specification and program, using two very different languages for illustration. First, we consider small fragments of a specification of preliminary Ada, and show that what was considered a specification in VDM in 1980 now looks much like an implementation in a functional language. Also, we discuss how a formal specification may be valuable even though seen from a purely formal point of view it is flawed. Second, we consider the simple language of spreadsheet formulas and give a complete specification. We show that nondeterminism in the specification may reflect run-time nondeterminism, but also underspecification, that is, implementation-time design choices. Although specification nondeterminism may appear at different binding-times there is no conventional way to distinguish these. We also consider a cost semantics and find that the specification may need to contain some “artificial” nondeterminism for underspecification

Ranking ligand affinity for the DNA minor groove by experiment and simulation

The structural and thermodynamic basis for the strength and selectivity of the interactions of minor-groove binders (MGBs) with DNA is not fully understood. In 2003 we reported the first example of a thiazole containing MGB that bound in a phase shifted pattern that spanned 6 base-pairs rather than the usual 4 (for tricyclic distamycin-like compounds). Since then, using DNA footprinting, nuclear magnetic resonance spectroscopy, isothermal titration calorimetry and molecular dynamics, we have established that the flanking bases around the central 4 being read by the ligand have subtle effects on recognition. We have investigated the effect of these flanking sequences on binding and the reasons for the differences and established a computational method to rank ligand affinity against varying DNA sequences

The Angular Distribution of Photoneutrons From O16

The relative importance of competing reaction channels in the photo-excitation of the giant resonance in O16 has been studied by measurement of the angular distribution of the emitted photo-neutrons through the corresponding energy range using a multi-angle neutron time of flight spectrometer installed at the Kelvin Laboratory of the University of Glasgow. Design factors for the spectrometer are discussed with regard to optimisation of energy resolution and counting rates under the constraints of the source, and the obtainable accuracy of normalisation between neutron detectors at different angles has been measured, A reliable method of calibration of the neutron energy scale at each angle is described and corrections to the neutron spectra for absorption by materials in the flight path have been made. The energy dependent efficiency of the neutron detectors is calculated in an appendix by a Monte Carlo technique using a new measurement of the scintillation response curve for recoil protons. Angular distributions of photoneutrons from the D2 (gamma,n)p reaction with 26.9 MeV bremsstrahlung have been measured and are found to agree with previously published results and theoretical predictions to within the expected accuracy. This is taken as confirmation of good angular normalisation in the system. Measurements by the author of the angular distributions of photo-neutrons from 26.9 MeV bremsstrahlung on O16 are presented and absolute cross sections have been obtained with respect to that known for deuterium. Photoproton data from other authors is analysed in a similar way for comparison with the photoneutron results. In the E1 approximation, the relative intensity of s/d wave admixture is found to follow the resonance structure for both protons and neutrons and the corresponding phase difference is found to vary about the value expected from optical model predictions. The E2 cross section has been extracted from the data and is found to rest mainly in two broad states centred at about 23 MeV and 24.7 MeV, while a Barker-Mann analysis shows the isospin impurity in the O16 giant resonance to be small and to be mainly associated with the regions of E2 strength. The pure 1p1h dipole approximation fails to describe these features and the observed splitting of the giant resonance in O16 but the presence of more complicated excitations is shown to be more consistent with experiment

Flattening of Single-Particle Spectra in Strongly Correlated Electron Systems and the Violation of the Wiedemann-Franz Law

The renormalization of the Wiedemann-Franz (WF) ratio in strongly correlated electron systems is analyzed within the Landau quasiparticle picture. We demonstrate that the WF law is violated: (i) at the quantum critical point, where the effective mass diverges, and (ii) beyond a point of fermion condensation, where the single-particle spectrum $\epsilon(p)$ becomes flat. Results of the analysis are compared with available experimental data.Comment: 6 pages, 5 figures, added reference

Socio-Economic Status and Pregnancy Outcome: An Australian Study

A prospective cohort of 8556 pregnant women attending the Mater Misericordiae Mothers' Hospital in Brisbane was examined to consider the impact of socio-economic status on pregnancy outcome. The indicators of socio-economic status selected were family income, maternal education and paternal occupational status. Pregnancy outcomes considered were preterm delivery, low birthweight, low birthweight for gestational age, and perinatal death. Subsidiary analyses were also undertaken for Apgar scores, time to establish respiration, need for mechanical respiration and admission to intensive care. Before adjustment, the main consistent association was between the occupational status of the father and three measures of perinatal morbidity. Initial adjustment for the mother's socio-demographic background and weight/height ratio reduced the strength and statistical significance of the above associations, while further adjustment for lifestyle variations between the three status groups further reduced the above associations to marginal statistical significance. The findings suggest that observed class differences in pregnancy outcome are attributable to the mother's personal characteristics (height/weight, parity) and her lifestyle