Microcanonical ensemble study of a classical fluid of hard rods under gravity

The study of a system of hard rods in a box of finite length in the presence of a uniform gravitational field is made by means of the microcanonical ensemble. Explicit expressions are derived for the phase volume and the density of states, the primary functions of this ensemble. Related statistical quantities are reported, such as the entropy, the temperature, the heat capacity and the forces exerted on the fluid by the bottom and top walls. The microcanonical number density and higher order molecular distribution functions are also derived. Received: 7 April 1998 / Received in final form: 20 July 1998 / Accepted: 28 July 1998     

Molecular spectra, quantum chaos, and scars

Low resolution features in the spectra of classically chaotic atomic and molecular systems are known to be related to recurrences induced by classical periodic motions. In this paper we study how such characteristics reveal in the LiNC/LiCN isomerizing molecular system, and describe how the transition from regularity to classical chaos that takes place in this system shows up at quantum level in the structure of the corresponding wavefunctions in the form of “scars”. To this end we use some projection techniques, based on the propagation of wave packets, which have been developed in our laboratory. In this way some regions at the border of the chaotic region can be detected, in which the systematics of “scar” formation can be studied at a very elementary level, without complications due to the high level density which are customarily used in this type of studies in order to achieve the semiclassical limit. Received: 16 March 1998 / Revised: 23 April 1998 / Accepted: 4 May 1998     

General plasma behavior in the energy relaxation of electrons in highly p-doped semiconductors

We present a systematic study of the dependence of the energy relaxation of photo-excited minority electrons on the doping concentration in highly p-doped GaAs. A nonmonotonic dependence is found in the region where the characteristics of the carrier-carrier interaction changes from plasmon-mediated to quasistatically screened. Using a detailed Monte-Carlo study we are able to attribute this observation to a general property of plasmas at high density. Received: 1st April 1998 / Revised: 6 May 1998 / Accepted: 18 May 1998     

Line-scan sequential lateral solidification of Si thin films

Received: 14 April 1998/Accepted: 22 April 1998     

Determination of resonance Raman scattering cross sections of laser dyes using a traveling-wave amplifier

Received: 1 April 1998/Revised version: 20 April 1998     

Mid-infrared spectroscopic detection of trace gases using guided-wave difference-frequency generation

Received: 1 April 1998/Revised version: 29 April 1998     

Langevin dynamics of the glass forming polymer melt: Fluctuations around the random phase approximation

In this paper the Martin-Siggia-Rose (MSR) functional integral representation is used for the study of the Langevin dynamics of a polymer melt in terms of collective variables: mass density and response field density. The resulting generating functional (GF) takes into account fluctuations around the random phase approximation (RPA) up to an arbitrary order. The set of equations for the correlation and response functions is derived. It is generally shown that for cases whenever the fluctuation-dissipation theorem (FDT) holds we arrive at equations similar to those derived by Mori-Zwanzig. The case when FDT in the glassy phase is violated is also qualitatively considered and it is shown that this results in a smearing out of the ideal glass transition. The memory kernel is specified for the ideal glass transition as a sum of all “water-melon” diagrams. For the Gaussian chain model the explicit expression for the memory kernel was obtained and discussed in a qualitative link to the mode-coupling equation. Received: 9 January 1998 / Revised: 24 April 1998 / Accepted: 2 July 1998     

Low-energy Raman-active phonons of multiwalled carbon nanotubes

Received: 8 April 1998/Accepted: 9 April 1998     

Focusing dependence of the efficiency of a singly resonant optical parametric oscillator

Received: 15 February 1998/Revised version: 6 April 1998     

Fingering instability in a water-sand mixture

The temporal evolution of a water-sand interface driven by gravity is experimentally investigated. By means of a Fourier analysis of the evolving interface the growth rates are determined for the different modes appearing in the developing front. To model the observed behavior we apply the idea of the Rayleigh-Taylor instability for two stratified fluids. Carrying out a linear stability analysis we calculate the growth rates from the corresponding dispersion relations for finite and infinite cell sizes. Based on the theoretical results the viscosity of the suspension is estimated to be approximately 100 times higher than that of pure water, in agreement with other experimental findings. Received: 12 December 1997 / Revised: 23 March 1998 / Accepted: 28 April 1998     

Fundamental noise sources in a high-sensitivity two-tone frequency modulation spectrometer and detection of CO2 at 1.6 μm and 2 μm

2 , and its sensitivity is 7(2)×10^-8 in a 1-Hz bandwidth. The corresponding minimum detectable concentration of CO₂ in air has been estimated to be 1 ppm · m. This opens the possibility of a detection at ppb levels at 2 μm, where a two orders of magnitude increase in the CO₂ absorption signal is demonstrated. Received: 06 April 1998/Revised version: 02 July 1998     

Quantum-Monte-Carlo simulations of polyethylene

The diffusion Quantum-Monte-Carlo method of solving the Schr?dinger equation is applied to the vibrational ground state of a polyethylene molecule. The results for the ground state energy show good agreement with normal mode analysis. In addition to stretching, bending and torsional interaction van-der-Waals interaction is applied to a single chain showing a decrease of the energy of 5%. The decrease for a polyethylene system of 5 chains with 10 atoms per molecule at the positions of a unit cell is determined to be 4.8% per molecule. Finally first steps towards simulating excited states were performed. Received: 9 February 1998 / Revised: 2 April 1998 / Accepted: 23 April 1998     

Novel massive ground states of spin chains in a magnetic field

Novel massive quantum states appearing in spin chains under a strong magnetic field are discussed. These states lead to plateaus in magnetization curves. When the systems are axially symmetric and the field is applied parallel to the symmetry-axis, the phenomena are analogous to metal-insulator transitions. Striking features of the plateau phenomena - exactness and rationality - are explained as consequences the commensurability condition to the underlying lattice. The effects of the planar anisotropy are also discussed in detail. Received: 16 February 1998 / Revised: 20 April 1998 / Accepted: 30 April 1998     

Strain-driven self-organization of nanostructures on semiconductor surfaces

Received: 14 April 1998/Accepted: 23 October 1998     

Modeling and computer simulation of pulsed-laser-induced ablation

Received: 21 April 1998 / Accepted: 21 September 1998 / Published online: 24 February 1999     

The mechanism of nanostructuring upon nanosecond laser irradiation of a STM tip

Received: 20 April 1998/Accepted: 2 June 1998     

Persistent currents in mesoscopic rings and conformal invariance

The effect of point defects on persistent currents in mesoscopic rings is studied in a simple tight-binding model. Using an analogy with the treatment of the critical quantum Ising chain with defects, conformal invariance techniques are employed to relate the persistent current amplitude to the Hamiltonian spectrum just above the Fermi energy. From this, the dependence of the current on the magnetic flux is found exactly for a ring with one or two point defects. The effect of an aperiodic modulation of the ring, generated through a binary substitution sequence, on the persistent current is also studied. The flux-dependence of the current is found to vary remarkably between the Fibonacci and the Thue-Morse sequences. Received: 4 March 1998 / Revised: 20 April 1998 / Accepted: 30 April 1998     

Distributions of time- and distance-headways in the Nagel-Schreckenberg model of vehicular traffic: effects of hindrances

In the Nagel-Schreckenberg model of vehicular traffic on single-lane highways vehicles are modelled as particles which hop forward from one site to another on a one dimensional lattice and the inter-particle interactions mimic the manner in which the real vehicles influence each other's motion. In this model the number of empty lattice sites in front of a particle is taken to be a measure of the corresponding distance-headway (DH). The time-headway (TH) is defined as the time interval between the departures (or arrivals) of two successive particles recorded by a detector placed at a fixed position on the model highway. We investigate the effects of spatial inhomogeneities of the highway (static hindrances) on the DH and TH distributions in the steady-state of this model. Received: 2 March 1988 / Revised: 13 April 1998 / Accepted: 17 April 1998     

Swollen-collapsed transition in random hetero-polymers

A lattice model of a hetero-polymer with random hydrophilic-hydrophobic charges interacting with the solvent is introduced, whose continuum counterpart has been proposed by Garel, Leibler and Orland [#!GLO!#]. The transfer matrix technique is used to study various constrained annealed systems which approximate at various degrees of accuracy the original quenched model. For highly hydrophobic chains an ordinary -point transition is found from a high temperature swollen phase to a low temperature compact phase. Depending on the type of constrained averages, at very low temperatures a swollen phase or a coexistence between compact and swollen phases are found. The results are carefully compared with the corresponding ones obtained in the continuum limit, and various improvements in the original calculations are discussed. Received: 10 April 1998 / Revised: 4 June 1998 / Accepted: 1st July 1998     

Two-parameter extended Hubbard Hamiltonian with supersymmetry

We investigate under which circumstances extended Hubbard models, including bond-charge, exchange, and pair-hopping terms, are invariant under gl (2,1) superalgebra. This happens for a two-parameter Hamiltonian which includes as particular cases the t - J, the EKS and the one-parameter BGLZ Hamiltonians, all integrable in one dimension. We show that the two parameter Hamiltonian can be recasted as the sum of the BGLZ Hamiltonian plus the graded permutation operator of electronic states on neighbouring sites. The integrability of the corresponding one-dimensional model is discussed. Received: 17 February 1998 / Received in final form: 6 March 1998 / Accepted: 17 April 1998