Plasmon resonance broadening in spheroidal metal particles

An analytical expression for the surface scattering contribution to the width of plasmon resonances in spheroidally shaped metal particles is derived. The result is compared with analogous quantum-mechanical expressions.     

A new approach to the determination of good action-angle variables for coupled oscillator systems

A theory of action-angle variables for coupled oscillator systems is developed which involves solving the Schrödinger equation using a basis of WKB eigenfunctions, then using the logarithm of the resulting wavefunction to define the generator for the canonical transformation which determines the action-angle variables. This theory is based on the marriage between Miller's method for solving the Hamilton-Jacobi equation using the logarithm of the generating function, and the Ratner-Buch-Gerber method for solving the Schrödinger equation using WKB basis functions. A perturbation-theory analysis of this theory indicates that the semiclassical eigenvalues and canonical transformations obtained from it should become identical to their exact classical counterparts in the limit of large actions for each vibrational mode. Two methods for systematically improving the theory for the lower eigenstates are also proposed. Numerical applications of the theory are presented for two systems, the Morse oscillator and the Henon-Heiles two-mode hamiltonian. The resulting semiclassical eigenvalues are in excellent agreement with their exact quantum counterparts, with the magnitude of the error roughly independent of the energy of the eigenstate. Analogous good agreement is found in comparing the approximate and exact classical canonical transformations. In particular, for the Morse oscillator, good results are obtained for certain higher energy states where second-order classical perturbation theory makes serious errors. Other information examined includes surfaces of section for the Henon-Heiles system (comparing the analytical functions obtained from the present theory with results based on exact trajectory calculations) and vibrational distributions chosen to simulate trajectory calculations (using the present theory to determine bin boundaries for a histogram calculation). Again, the comparison in each case with accurate results is excellent, with maximum errors in action calculations of 0.02 h, and in angle calculations of 0.01 rad.     

End point of the rp process on accreting neutron stars

We calculate the rapid proton ( rp) capture process of hydrogen burning on the surface of an accreting neutron star with an updated reaction network that extends up to Xe, far beyond previous work. In both steady-state nuclear burning appropriate for rapidly accreting neutron stars (such as the magnetic polar caps of accreting x-ray pulsars) and unstable burning of type I x-ray bursts, we find that the rp process ends in a closed SnSbTe cycle. This prevents the synthesis of elements heavier than Te and has important consequences for x-ray burst profiles, the composition of accreting neutron stars, and potentially galactic nucleosynthesis of light p nuclei.     

Isomeric state of 80Y and its role in the astrophysical rp-process

A careful investigation of the isomeric transition of the long-lived state at 228.5 keV excitation energy in ⁸⁰Y has been done. The HIGISOL facility at the Jyv?skyl? isochronous cyclotron has been used. We used the electron magnetic transporter to prepare an appropriate source and to measure the electron spectra in clean background conditions. The measured internal conversion coefficient α_K = 0.50±0.07 allows unambiguous 1^- identification for the 228.5 keV first excited isomeric state in ⁸⁰Y. With a “bare" half-life of 6.8±0.5 s found in this work, this state is strongly populated in the rp-process during X-ray bursts and has therefore to be taken into account in X-ray burst model calculations. However, because of the similarity of the β-decay half-lives of isomeric and ground states, we find a maximum reduction in the effective β-decay lifetime of ⁸⁰Y of only 17±2%. Our results pave the way for a future investigation of the impact of the isomeric state on the “effective" ⁸⁰Y proton capture rate. Received: 14 March 2001 / Accepted: 10 July 2001     

Kinetic lattice grand canonical Monte Carlo simulation for ion current calculations in a model ion channel system

An algorithm in which kinetic lattice grand canonical Monte Carlo simulations are combined with mean field theory (KLGCMC/MF) is presented to calculate ion currents in a model ion channel system. In this simulation, the relevant region of the system is treated by KLGCMC simulations, while the rest of the system is described by modified Poisson-Boltzmann mean field theory. Calculation of reaction field due to induced charges on the channel/water and membrane/water boundaries is carried out using a basis-set expansion method [Im and Roux, J. Chem. Phys. 115, 4850 (2001)]. Calculation of ion currents, electrostatic potentials, and ion concentrations, as obtained from the KLGCMC/MF simulations, shows good agreement with Poisson-Nernst-Planck (PNP) theory predictions when the channel and membrane have the same dielectric constant as water. If the channel and membrane have a lower dielectric constant than water, however, there is a considerable difference between the KLGCMC/MF and PNP predictions. This difference is attributed to the reaction field, which is missing in PNP theory. It is demonstrated that the reaction field as well as fixed charges in the channel play key roles in selective ion transport. Limitations and further development of the current KLGCMC/MF approach are also discussed.     

Microscopic origin of the humidity dependence of the adhesion force in atomic force microscopy

Water condenses between an atomic force microscope (AFM) tip and a surface to form a nanoscale bridge that produces a significant adhesion force on the tip. As humidity increases, the water bridge always becomes wider but the adhesion force sometimes decreases. The authors show that the humidity dependence of the adhesion force is intimately related to the structural properties of the underlying water bridge. A wide bridge whose width does not vary much with tip-surface distance can increase its volume as distance is increased. In this case, the adhesion force decreases as humidity rises. Narrow bridges whose width decreases rapidly with increasing tip-surface distance give the opposite result. This connection between humidity dependence of the adhesion force and the structural susceptibility of the water bridge is illustrated by performing Monte Carlo simulations for AFM tips with various hydrophilicities.     

Synthesis and isolation of {110}-faceted gold bipyramids and rhombic dodecahedra

Two {110}-faceted gold nanostructures--rhombic dodecahedra and obtuse triangular bipyramids--have been synthesized via a Ag-assisted, seed-mediated growth method. The combination of a Cl(-)-containing surfactant with a low concentration of Ag(+) plays a role in the stabilization of the {110} facets. To the best of our knowledge, this is the first reported synthesis of a {110}-faceted bipyramid structure.     

DNA-based optomechanical molecular motor

An azobenzene-capped DNA hairpin coupled to an AFM is presented as an optically triggered single-molecule motor. The photoinduced trans to cis isomerization of azobenzene affects both the overall length of the molecule and the ability of the DNA bases to hybridize. Using a combination of molecular dynamics simulations and free energy calculations the unfolding of both isomers along the O5'-O3' extension coordinate is monitored. The potentials of mean force (PMFs) along this coordinate indicate that there are two major differences induced by photoisomerization. The first is that the interbase hydrogen bond and stacking interactions are stable for a greater range of extensions in the trans system than in the cis system. The second difference is due to a decreased chain length of the cis isomer with respect to the trans isomer. These differences are exploited to extract work in optomechanical cycles. The disruption of the hairpin structure gives a maximum of 3.4 kcal mol(-1) of extractable work per cycle with an estimated maximum efficiency of 2.4%. Structure-function insights into the operation of this motor are provided, and the effect of the cantilever stiffness on the extractable work is characterized.     

Half-lives of ground and isomeric states in Cd and the astrophysical origin of Ru

First experimental evidence for a high-spin isomer (25/²⁺$25/2^{+}$) in ⁹⁷Cd, a waiting point in the astrophysical rapid proton capture process, is presented. The data were obtained in β-decay studies at NSCL using the new RF Fragment Separator system and detecting β-delayed protons and β-delayed γ rays. Decays from ground and isomeric states were disentangled, and proton emission branches were determined for the first time. We find half-lives of 1.10(8) s and 3.8(2) s, and β-delayed proton emission branches of 12(2)% and 25(4)% were deduced for the ground and isomeric states, respectively. With these results, the nuclear data needed to determine an rp-process contribution to the unknown origin of solar ⁹⁶Ru are in place. When the new data are included in astrophysical rp-process calculations, one finds that an rp-process origin of ⁹⁶Ru is unlikely.     

Mass measurements of very neutron-deficient Mo and Tc isotopes and their impact on rp process nucleosynthesis

The masses of ten proton-rich nuclides, including the N=Z+1 nuclides ??Mo and ??Tc, were measured with the Penning trap mass spectrometer SHIPTRAP. Compared to the Atomic Mass Evaluation 2003 a systematic shift of the mass surface by up to 1.6 MeV is observed causing significant abundance changes of the ashes of astrophysical x-ray bursts. Surprisingly low α separation energies for neutron-deficient Mo and Tc are found, making the formation of a ZrNb cycle in the rp process possible. Such a cycle would impose an upper temperature limit for the synthesis of elements beyond Nb in the rp process.