12,094 research outputs found
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 LaSrCuO
The relationships among charge order, spin fluctuations, and
superconductivity in underdoped cuprates remain controversial. We use neutron
scattering techniques to study these phenomena in
LaSrCuO, a superconductor with a transition temperature
of ~K. At , 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 ~K,
consistent with results from local probes. Regarding the atomic lattice, we
have discovered unexpectedly strong fluctuations of the CuO octahedra about
Cu-O bonds, which are associated with inequivalent O sites within the CuO
planes. Furthermore, we observed a weak elastic 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
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