Isomerization dynamics of a buckled nanobeam

We analyze the dynamics of a model of a nanobeam under compression. The model is a two mode truncation of the Euler-Bernoulli beam equation subject to compressive stress. We consider parameter regimes where the first mode is unstable and the second mode can be either stable or unstable, and the remaining modes (neglected) are always stable. Material parameters used correspond to silicon. The two mode model Hamiltonian is the sum of a (diagonal) kinetic energy term and a potential energy term. The form of the potential energy function suggests an analogy with isomerisation reactions in chemistry. We therefore study the dynamics of the buckled beam using the conceptual framework established for the theory of isomerisation reactions. When the second mode is stable the potential energy surface has an index one saddle and when the second mode is unstable the potential energy surface has an index two saddle and two index one saddles. Symmetry of the system allows us to construct a phase space dividing surface between the two "isomers" (buckled states). The energy range is sufficiently wide that we can treat the effects of the index one and index two saddles in a unified fashion. We have computed reactive fluxes, mean gap times and reactant phase space volumes for three stress values at several different energies. In all cases the phase space volume swept out by isomerizing trajectories is considerably less than the reactant density of states, proving that the dynamics is highly nonergodic. The associated gap time distributions consist of one or more `pulses' of trajectories. Computation of the reactive flux correlation function shows no sign of a plateau region; rather, the flux exhibits oscillatory decay, indicating that, for the 2-mode model in the physical regime considered, a rate constant for isomerization does not exist.Comment: 42 pages, 6 figure

Initial evidence for the criterion-related and structural validity of the long versions of the direct and meta-perspectives of the Coach-Athlete Relationship Questionnaire

This is the author's accepted manuscript. The final published article is available from the link below. Copyright @ 2010 Taylor & Francis.The aim of the present study was to develop and initially validate a longer version of the direct (Jowett & Ntoumanis, 2004) and meta-perspectives (Jowett, 2009a, 2009b) of the Coach-Athlete Relationship Questionnaire (CART-Q). In Study 1, instruments (e.g. questionnaires, scales, and inventories) that have been used to assess relationship quality in the broader psychological literature were examined and items potentially relevant to the coach-athlete relationship were identified. The content validity of the identified items was then assessed using expert panels. A final questionnaire was subsequently prepared and administered to 693 participants (310 coaches and 383 athletes). Confirmatory factor analysis was employed to assess the multidimensional nature of the questionnaire based on the 3Cs (i.e. closeness, commitment, and complementarity) model of the coach-athlete relationship. The findings indicated that the direct and meta-perspective items of the long versions of the CART-Q approached an adequate data fit. Moreover, evidence for the internal consistency and criterion validity of the new instruments was also obtained. In Study 2, the newly developed measure was administered to an independent sample of 251 individuals (145 athletes and 106 coaches). Further statistical support was gained for the factorial validity and reliability of the longer version of the CART-Q

Three-Fold Diffraction Symmetry in Epitaxial Graphene and the SiC Substrate

The crystallographic symmetries and spatial distribution of stacking domains in graphene films on SiC have been studied by low energy electron diffraction (LEED) and dark field imaging in a low energy electron microscope (LEEM). We find that the graphene diffraction spots from 2 and 3 atomic layers of graphene have 3-fold symmetry consistent with AB (Bernal) stacking of the layers. On the contrary, graphene diffraction spots from the buffer layer and monolayer graphene have apparent 6-fold symmetry, although the 3-fold nature of the satellite spots indicates a more complex periodicity in the graphene sheets.Comment: An addendum has been added for the arXiv version only, including one figure with five panels. Published paper can be found at http://link.aps.org/doi/10.1103/PhysRevB.80.24140

Lin's method for heteroclinic chains involving periodic orbits

We present an extension of the theory known as Lin's method to heteroclinic chains that connect hyperbolic equilibria and hyperbolic periodic orbits. Based on the construction of a so-called Lin orbit, that is, a sequence of continuous partial orbits that only have jumps in a certain prescribed linear subspace, estimates for these jumps are derived. We use the jump estimates to discuss bifurcation equations for homoclinic orbits near heteroclinic cycles between an equilibrium and a periodic orbit (EtoP cycles)

A Nonperturbative Eliasson's Reducibility Theorem

This paper is concerned with discrete, one-dimensional Schr\"odinger operators with real analytic potentials and one Diophantine frequency. Using localization and duality we show that almost every point in the spectrum admits a quasi-periodic Bloch wave if the potential is smaller than a certain constant which does not depend on the precise Diophantine conditions. The associated first-order system, a quasi-periodic skew-product, is shown to be reducible for almost all values of the energy. This is a partial nonperturbative generalization of a reducibility theorem by Eliasson. We also extend nonperturbatively the genericity of Cantor spectrum for these Schr\"odinger operators. Finally we prove that in our setting, Cantor spectrum implies the existence of a $G_\delta$-set of energies whose Schr\"odinger cocycle is not reducible to constant coefficients

Is there a contraction of the interatomic distance in small metal particles?

A theoretical analysis is made of the bond lengths of small (100–1000 atoms) Cu particles at various temperatures. The interatomic interactions are calculated using the effective-medium theory and the finite-temperature properties obtained from a molecular-dynamics simulation. We find only very small changes in bond length with particle size, but the motion in the small particles is very anharmonic. We use this observation to resolve the current experimental controversy about the existence of bond contraction for small metal particles

Prevalence of pfmdr1, pfcrt, pfdhfr and pfdhps mutations associated with drug resistance, in Luanda, Angola

<p>Abstract</p> <p>Background</p> <p>Malaria is the infectious disease causing the highest morbidity and mortality in Angola and due to widespread chloroquine (CQ) resistance, the country has recently changed its first-line treatment recommendations for uncomplicated malaria, from CQ to artemisinin combination therapies (ACT) in adults, and sulphadoxine/pyrimethamine (S/P) in pregnant women. Loss of SP sensitivity is, however, progressing rapidly in Africa and, in this study, were investigated a number of molecular markers associated to CQ and S/P.</p> <p>Methods</p> <p>Blood samples were collected from 245 children with uncomplicated malaria, admitted at the Pediatric Hospital Dr. David Bernardino (HPDB), Angola, and the occurrence of mutations in <it>Plasmodium falciparum </it>was investigated in the <it>pfmdr1 </it>(N86Y) and <it>pfcrt </it>(K76T) genes, associated with CQ resistance, as well as in <it>pfdhfr </it>(C59R) and <it>pfdhps </it>(K540E), conferring SP resistance.</p> <p>Results</p> <p>The frequencies of <it>pfmdr1 </it>mutations in codon 86 were 28.6% N, 61.3% Y and 10.1% mixed infections (NY). The frequency of <it>pfcrt </it>mutations in codon 76 were 93.9% K, 5.7% T and 0.4% mixed infections (KT). For <it>pfdhfr </it>the results were in codon 59, 60.6% C, 20.6% R and 18.8% mixed infections (CR). Concerning <it>pfdhps</it>, 6.3% of the isolates were bearers of the mutation 540E and 5.4% mixed infections (K540E).</p> <p>Conclusion</p> <p>The results of this epidemiologic study showed high presence of CQ resistance markers while for SP a much lower prevalence was detected for the markers under study.</p