Rate theory for correlated processes: Double-jumps in adatom diffusion

We study the rate of activated motion over multiple barriers, in particular the correlated double-jump of an adatom diffusing on a missing-row reconstructed Platinum (110) surface. We develop a Transition Path Theory, showing that the activation energy is given by the minimum-energy trajectory which succeeds in the double-jump. We explicitly calculate this trajectory within an effective-medium molecular dynamics simulation. A cusp in the acceptance region leads to a sqrt{T} prefactor for the activated rate of double-jumps. Theory and numerical results agree

Critical behavior of loops and biconnected clusters on fractals of dimension d < 2

We solve the O(n) model, defined in terms of self- and mutually avoiding loops coexisting with voids, on a 3-simplex fractal lattice, using an exact real space renormalization group technique. As the density of voids is decreased, the model shows a critical point, and for even lower densities of voids, there is a dense phase showing power-law correlations, with critical exponents that depend on n, but are independent of density. At n=-2 on the dilute branch, a trivalent vertex defect acts as a marginal perturbation. We define a model of biconnected clusters which allows for a finite density of such vertices. As n is varied, we get a line of critical points of this generalized model, emanating from the point of marginality in the original loop model. We also study another perturbation of adding local bending rigidity to the loop model, and find that it does not affect the universality class.Comment: 14 pages,10 figure

Partly Occupied Wannier Functions

We introduce a scheme for constructing partly occupied, maximally localized Wannier functions (WFs) for both molecular and periodic systems. Compared to the traditional occupied WFs the partly occupied WFs posses improved symmetry and localization properties achieved through a bonding-antibonding closing procedure. We demonstrate the equivalence between bonding-antibonding closure and the minimization of the average spread of the WFs in the case of a benzene molecule and a linear chain of Pt atoms. The general applicability of the method is demonstrated through the calculation of WFs for a metallic system with an impurity: a Pt wire with a hydrogen molecular bridge.Comment: 5 pages, 4 figure

Computational Design of Chemical Nanosensors: Metal Doped Carbon Nanotubes

We use computational screening to systematically investigate the use of transition metal doped carbon nanotubes for chemical gas sensing. For a set of relevant target molecules (CO, NH3, H2S) and the main components of air (N2, O2, H2O), we calculate the binding energy and change in conductance upon adsorption on a metal atom occupying a vacancy of a (6,6) carbon nanotube. Based on these descriptors, we identify the most promising dopant candidates for detection of a given target molecule. From the fractional coverage of the metal sites in thermal equilibrium with air, we estimate the change in the nanotube resistance per doping site as a function of the target molecule concentration assuming charge transport in the diffusive regime. Our analysis points to Ni-doped nanotubes as candidates for CO sensors working under typical atmospheric conditions

A Discotic Disguised as a Smectic: A Hybrid Columnar Bragg Glass

We show that discotics, lying deep in the columnar phase, can exhibit an x-ray scattering pattern which mimics that of a somewhat unusual smectic liquid crystal. This exotic, new glassy phase of columnar liquid crystals, which we call a ``hybrid columnar Bragg glass'', can be achieved by confining a columnar liquid crystal in an anisotropic random environment of e.g., strained aerogel. Long-ranged orientational order in this phase makes {\em single domain} x-ray scattering possible, from which a wealth of information could be extracted. We give detailed quantitative predictions for the scattering pattern in addition to exponents characterizing anomalous elasticity of the system.Comment: 4 RevTeX pgs, 2 eps figures. To appear in PR

A study of 15N14N isotopic exchange over cobalt molybdenum nitrides

The 14N/15N isotopic exchange pathways over Co3Mo3N, a material of interest as an ammonia synthesis catalyst and for the development of nitrogen transfer reactions, have been investigated. Both the homomolecular and heterolytic exchange processes have been studied, and it has been shown that lattice nitrogen species are exchangeable. The exchange behavior was found to be a strong function of pretreatment with ca. 25% of lattice N atoms being exchanged after 40 min at 600 °C after N2 pretreatment at 700 °C compared to only 6% following similar Ar pretreatment. This observation, for which the potential contribution of adsorbed N species can be discounted, is significant in terms of the application of this material. In the case of the Co6Mo6N phase, regeneration to Co3Mo3N under 15N2 at 600 °C occurs concurrently with 14N15N formation. These observations demonstrate the reactivity of nitrogen in the Co–Mo–N system to be a strong function of pretreatment and worthy of further consideration

Oncologic Emergencies

This article is made available for unrestricted research re-use and secondary analysis in any form or by any means with acknowledgement of the original source. These permissions are granted for the duration of the World Health Organization (WHO) declaration of COVID-19 as a global pandemic.It has been estimated that genitourinary malignancies will account for 25% of new cancer diagnoses in the United States in 2005 (Jemal et al. 2005). While the incidence of many of these malignancies has increased over the past two decades, the mortality rates appear to be decreasing. Early cancer detection combined with improvements in surgical and nonsurgical oncologic therapy account for these trends. Although not common, newly diagnosed cancer patients occasionally present in an emergent, life-threatening manner that warrants immediate medical or surgical intervention. As the prevalence of genitourinary malignancies continues to expand, additional patients can be expected to develop disease or treatment-related complications. This chapter will serve to review the diagnosis and management of oncologic emergencies as they pertain to the urologist

Neutron scattering study of spin ordering and stripe pinning in superconducting La1.93_{1.93}Sr0.07_{0.07}CuO4_4

The relationships among charge order, spin fluctuations, and superconductivity in underdoped cuprates remain controversial. We use neutron scattering techniques to study these phenomena in La$_{1.93}$Sr$_{0.07}$CuO$_4$, a superconductor with a transition temperature of $T_c = 20$~K. At $T\ll T_c$, we find incommensurate spin fluctuations with a quasielastic energy spectrum and no sign of a gap within the energy range from 0.2 to 15 meV. A weak elastic magnetic component grows below $\sim10$~K, consistent with results from local probes. Regarding the atomic lattice, we have discovered unexpectedly strong fluctuations of the CuO$_6$ octahedra about Cu-O bonds, which are associated with inequivalent O sites within the CuO$_2$ planes. Furthermore, we observed a weak elastic $(3\bar{3}0)$ superlattice peak that implies a reduced lattice symmetry. The presence of inequivalent O sites rationalizes various pieces of evidence for charge stripe order in underdoped \lsco. The coexistence of superconductivity with quasi-static spin-stripe order suggests the presence of intertwined orders; however, the rotation of the stripe orientation away from the Cu-O bonds might be connected with evidence for a finite gap at the nodal points of the superconducting gap function.Comment: 13 pages, 11 figures; accepted versio

Sound velocity and absorption measurements under high pressure using picosecond ultrasonics in diamond anvil cell. Application to the stability study of AlPdMn

We report an innovative high pressure method combining the diamond anvil cell device with the technique of picosecond ultrasonics. Such an approach allows to accurately measure sound velocity and attenuation of solids and liquids under pressure of tens of GPa, overcoming all the drawbacks of traditional techniques. The power of this new experimental technique is demonstrated in studies of lattice dynamics, stability domain and relaxation process in a metallic sample, a perfect single-grain AlPdMn quasicrystal, and rare gas, neon and argon. Application to the study of defect-induced lattice stability in AlPdMn up to 30 GPa is proposed. The present work has potential for application in areas ranging from fundamental problems in physics of solid and liquid state, which in turn could be beneficial for various other scientific fields as Earth and planetary science or material research

Two new topologically ordered glass phases of smectics confined in anisotropic random media

We show that smectic liquid crystals confined in_anisotropic_ porous structures such as e.g.,_strained_ aerogel or aerosil exhibit two new glassy phases. The strain both ensures the stability of these phases and determines their nature. One type of strain induces an ``XY Bragg glass'', while the other creates a novel, triaxially anisotropic ``m=1 Bragg glass''. The latter exhibits anomalous elasticity, characterized by exponents that we calculate to high precision. We predict the phase diagram for the system, and numerous other experimental observables.Comment: 4 RevTeX pgs, 2 eps figures, submitted to Phys. Rev. Let