quasiharmonic equations of state for dynamically-stabilized soft-mode materials

We introduce a method for treating soft modes within the analytical framework of the quasiharmonic equation of state. The corresponding double-well energy-displacement relation is fitted to a functional form that is harmonic in both the low- and high-energy limits. Using density-functional calculations and statistical physics, we apply the quasiharmonic methodology to solid periclase. We predict the existence of a B1--B2 phase transition at high pressures and temperatures

Defining the need for surgical intervention following a snakebite still relies heavily on clinical assessment: The experience in Pietermaritzburg, South Africa

Background. This audit of snakebites was undertaken to document our experience with snakebite in the western part of KwaZulu-Natal (KZN) Province, South Africa (SA).Objective. To document our experience with snakebite in the western part of KZN, and to interrogate the data on patients who required some form of surgical intervention.Methods. A retrospective study was undertaken at the Pietermaritzburg Metropolitan Trauma Service, Pietermaritzburg, SA. The Hybrid Electronic Medical Registry was reviewed for the 5-year period January 2012 - December 2016. All patients admitted to the service for management of snakebite were included.Results. The offending snake is rarely identified, and the syndromic approach is now the mainstay of management. Most envenomations seen during the study period were cytotoxic, presenting with painful progressive swelling (PPS). We did not see any purely neurotoxic or haemotoxic envenomations. Antivenom is required for a subset of patients. The indications are essentially PPS that increases by >15 cm over an hour, PPS up to the elbow or knee after 4 hours, PPS of the whole limb after 8 hours, threatened airway, shortness of breath, associated clotting abnormalities and compartment syndrome. If no symptoms have manifested within 1 hour of a snakebite, clinically significant envenomation is unlikely to have occurred. Antivenom is associated with a high rate of anaphylaxis and should only be administered when absolutely indicated, preferably in a high-care setting under continuous monitoring. The need for surgery is less well defined. Urgent surgery is indicated for compartment syndrome of the limb, which is a potentially life- and limb-threatening condition. Its diagnosis is usually made clinically, but this is difficult in snakebites. Morbidity and cost increase dramatically once fasciotomy is required, as evidenced by much longer hospital stay. There is frequently a degree of cross-over between cytotoxicity and haemotoxicity in envenomations that require fasciotomy, which means that fasciotomy may result in catastrophic bleeding and should be preceded by the administration of antivenom, especially in patients with a low platelet count or a high international normalised ratio. Physiological and biochemical markers are unhelpful in assessing the need for fasciotomy. Objective methods include measurement of compartment pressures and ultrasound.Conclusion. The syndromic management of snakebite is effective and safe. There is a high incidence of anaphylactic reactions to antivenom, and its administration must be closely supervised. In our area we overwhelmingly see cytotoxic snakebites with PPS. Surgery is often needed, and we need to refine our algorithms in terms of deciding on surgery

Entropy and Wigner Functions

The properties of an alternative definition of quantum entropy, based on Wigner functions, are discussed. Such definition emerges naturally from the Wigner representation of quantum mechanics, and can easily quantify the amount of entanglement of a quantum state. It is shown that smoothing of the Wigner function induces an increase in entropy. This fact is used to derive some simple rules to construct positive definite probability distributions which are also admissible Wigner functionsComment: 18 page

Buckling Instabilities of a Confined Colloid Crystal Layer

A model predicting the structure of repulsive, spherically symmetric, monodisperse particles confined between two walls is presented. We study the buckling transition of a single flat layer as the double layer state develops. Experimental realizations of this model are suspensions of stabilized colloidal particles squeezed between glass plates. By expanding the thermodynamic potential about a flat state of $N$ confined colloidal particles, we derive a free energy as a functional of in-plane and out-of-plane displacements. The wavevectors of these first buckling instabilities correspond to three different ordered structures. Landau theory predicts that the symmetry of these phases allows for second order phase transitions. This possibility exists even in the presence of gravity or plate asymmetry. These transitions lead to critical behavior and phases with the symmetry of the three-state and four-state Potts models, the X-Y model with 6-fold anisotropy, and the Heisenberg model with cubic interactions. Experimental detection of these structures is discussed.Comment: 24 pages, 8 figures on request. EF508

The microscopic spin-phonon coupling constants in CuGeO_3

Using RPA results, mean field theory, and refined data for the polarization vectors we determine the coupling constants of the four Peierls-active phonon modes to the spin chains of CuGeO_3. We then derive the values of the coupling of the spin system to the linear ionic displacements, the bond lengths and the angles between bonds. Our values are consistent with microscopic theories and various experimental results. We discuss the applicability of static approaches to the spin-phonon coupling. The c-axis anomaly of the thermal expansion is explained. We give the values of the coupling constants in an effective one-dimensional Hamiltonian.Comment: 11 pages, two figures, 13 tables, PRB 59 (in press

Defect-induced condensation and central peak at elastic phase transitions

Static and dynamical properties of elastic phase transitions under the influence of short--range defects, which locally increase the transition temperature, are investigated. Our approach is based on a Ginzburg--Landau theory for three--dimensional crystals with one--, two-- or three--dimensional soft sectors, respectively. Systems with a finite concentration $n_{\rm D}$ of quenched, randomly placed defects display a phase transition at a temperature $T_c(n_{\rm D})$, which can be considerably above the transition temperature $T_c^0$ of the pure system. The phonon correlation function is calculated in single--site approximation. For $T>T_c(n_{\rm D})$ a dynamical central peak appears; upon approaching $T_c(n_{\rm D})$, its height diverges and its width vanishes. Using an appropriate self--consistent method, we calculate the spatially inhomogeneous order parameter, the free energy and the specific heat, as well as the dynamical correlation function in the ordered phase. The dynamical central peak disappears again as the temperatur is lowered below $T_c(n_{\rm D})$. The inhomogeneous order parameter causes a static central peak in the scattering cross section, with a finite $k$ width depending on the orientation of the external wave vector ${\bf k}$ relative to the soft sector. The jump in the specific heat at the transition temperatur of the pure system is smeared out by the influence of the defects, leading to a distinct maximum instead. In addition, there emerges a tiny discontinuity of the specific heat at $T_c(n_{\rm D})$. We also discuss the range of validity of the mean--field approach, and provide a more realistic estimate for the transition temperature.Comment: 11 pages, 11 ps-figures, to appear in PR

An alternative to cyanide leaching of waste activated carbon ash for gold and silver recovery via synergistic dual-lixiviant treatment

This study reports the development of a hydrometallurgical treatment for activated carbon ash (ACA); a waste product of the carbon-in-pulp (CIP) process used in the gold mining industry, rich in adsorbed precious metals. After an initial screening of known leaching chemistries, the research focusses on dual-lixiviant (thiourea and thiocyanate) and thiourea systems, both of which have lower environmental impact than traditional cyanide leaches. Comparing ferric sulfate and hydrogen peroxide as oxidants showed that a thiourea leach is more suited to ferric sulfate whereas the dual-lixiviant leach achieved greater extraction with hydrogen peroxide. This was believed to be due to a more favourable effective [thiourea]:[thiocyanate] molar ratio in solution. The latter demonstrated faster kinetics and improved efficiency for dissolution of gold and silver. However, both leaches had issues with silver extraction due to formation of passivating layers on the surface of the silver nanoparticles. Kinetic modelling showed both systems tended towards a mixed-controlled process. Gold extraction of 89%, with leaching reaching equilibrium within 100 min, using the dual-lixiviant process demonstrated that there is an alternative to cyanide leaches employed in gold recovery

An optimization principle for deriving nonequilibrium statistical models of Hamiltonian dynamics

A general method for deriving closed reduced models of Hamiltonian dynamical systems is developed using techniques from optimization and statistical estimation. As in standard projection operator methods, a set of resolved variables is selected to capture the slow, macroscopic behavior of the system, and the family of quasi-equilibrium probability densities on phase space corresponding to these resolved variables is employed as a statistical model. The macroscopic dynamics of the mean resolved variables is determined by optimizing over paths of these probability densities. Specifically, a cost function is introduced that quantifies the lack-of-fit of such paths to the underlying microscopic dynamics; it is an ensemble-averaged, squared-norm of the residual that results from submitting a path of trial densities to the Liouville equation. The evolution of the macrostate is estimated by minimizing the time integral of the cost function. The value function for this optimization satisfies the associated Hamilton-Jacobi equation, and it determines the optimal relation between the statistical parameters and the irreversible fluxes of the resolved variables, thereby closing the reduced dynamics. The resulting equations for the macroscopic variables have the generic form of governing equations for nonequilibrium thermodynamics, and they furnish a rational extension of the classical equations of linear irreversible thermodynamics beyond the near-equilibrium regime. In particular, the value function is a thermodynamic potential that extends the classical dissipation function and supplies the nonlinear relation between thermodynamics forces and fluxes

A Comprehensive Study of GRB 070125, A Most Energetic Gamma-Ray Burst

We present a comprehensive multiwavelength analysis of the bright, long-duration gamma-ray burst GRB 070125, comprised of observations in gamma-ray, X-ray, optical, millimeter, and centimeter wave bands. Simultaneous fits to the optical and X-ray light curves favor a break on day 3.78, which we interpret as the jet break from a collimated outflow. Independent fits to optical and X-ray bands give similar results in the optical bands but shift the jet break to around day 10 in the X-ray light curve. We show that for the physical parameters derived for GRB 070125, inverse Compton scattering effects are important throughout the afterglow evolution. While inverse Compton scattering does not affect radio and optical bands, it may be a promising candidate to delay the jet break in the X-ray band. Radio light curves show rapid flux variations, which are interpreted as due to interstellar scintillation and used to derive an upper limit of 2.4 × 10 17 cm on the radius of the fireball in the lateral expansion phase of the jet. Radio light curves and spectra suggest a high synchrotron self-absorption frequency indicative of the afterglow shock wave moving in a dense medium. Our broadband modeling favors a constant density profile for the circumburst medium over a windlike profile (R -2). However, keeping in mind the uncertainty of the parameters, it is difficult to unambiguously distinguish between the two density profiles. Our broadband fits suggest that GRB 070125 is a burst with high radiative efficiency (>60%).R. A. C. was supported in part by NASA grant NNG06GJ33G