Common features of deconfining and chiral critical points in QCD and the three state Potts model in an external field

In the presented study we investigated the second order endpoints of the lines of first order phase transitions which emerge for the QCD in the heavy and light quark mass regime and for the three-dimensional three state Potts model with an external field. We located the endpoints with Binder cumulants and constructed the energy-like and ordering field like observables. The joint probability distributions of these scaling fields and the values of the Binder cumulant confirm that all three endpoints belong to the universality class of the 3-dimensional Ising model.Comment: Based on a poster presented by S.Stickan at the CCP2001 Aachen,4 pages,6 figures, to be published in computer physics communicatio

QCD Thermodynamics with 2 and 3 Quark Flavors

We discuss the flavor dependence of the pressure and critical temperature calculated in QCD with 2, 2+1 and 3 flavors using improved gauge and staggered fermion actions on lattices with temporal extent Nt=4. For T > 2 Tc we find that bulk thermodynamics of QCD with 2 light and a heavier strange quark is well described by 3-flavor QCD while the transition temperature is closer to that of 2-flavor QCD. Furthermore, we present evidence that the chiral critical point of 3-flavor QCD, i.e. the second order endpoint of the line of first order chiral phase transitions, belongs to the universality class of the 3d Ising model.Comment: 6 pages, LaTeX2e File, 7 EPS-figures, presented at SEWM 2000, Marseille, June 13-17th, 200

Quantum-Classical Liouville Approach to Molecular Dynamics: Surface Hopping Gaussian Phase-Space Packets

In mixed quantum-classical molecular dynamics few but important degrees of freedom of a molecular system are modeled quantum-mechanically while the remaining degrees of freedom are treated within the classical approximation. Such models can be systematically derived as a first order approximation to the partial Wigner transform of the quantum Liouville-von Neumann equation. The resulting adiabatic quantum-classical Liouville equation (QCLE) can be decomposed into three individual propagators by means of a Trotter splitting: Phase oscillations of the coherences resulting from the time evolution of the quantum-mechanical subsystem. Exchange of densities and coherences reflecting non-adiabatic effects in quantum-classical dynamics. Classical Liouvillian transport of densities and coherences along adiabatic potential energy surfaces or arithmetic means thereof. A novel stochastic implementation of the QCLE is proposed in the present work. In order to substantially improve the traditional algorithm based on surface hopping trajectories [J. C. Tully, J. Chem. Phys. 93 (2), 1061 (1990)], we model the evolution of densities and coherences by a set of surface hopping Gaussian phase-space packets (GPPs) with variable width and with adjustable real or complex amplitudes, respectively. The dense sampling of phase-space offers two main advantages over other numerical schemes to solve the QCLE. First, it allows to perform a quantum-classical simulation employing a constant number of particles, i. e. the generation of new trajectories at each surface hop is avoided. Second, the effect of non-local operators in the exchange of densities and coherences can be treated without having to invoke the momentum jump approximation. For the example of a single avoided crossing we demonstrate that convergence towards fully quantum-mechanical dynamics is much faster for surface hopping GPPs than for trajectory-based methods. For dual avoided crossings the Gaussian-based dynamics correctly reproduces the quantum-mechanical result even when trajectory-based methods not accounting for the transport of coherences fail qualitatively

InGaAs/GaAs/alkanethiolate radial superlattices: Experimental

A radial InGaAs/GaAs/1-hexadecanethiol superlattice is fabricated by the roll-up of a strained InGaAs/GaAs bilayer passivated with a molecular self-assembled monolayer. Our technique allows the formation of multi-period inorganic/organic hybrid heterostructures. This paper contains the detailed experimental description of how to fabricate these structures.Comment: 2 pages, no figures, Version 2; minor changes (fixed typos and update references

Multidimensional Classical Liouville Dynamics with Quantum Initial Conditions

A simple and numerically efficient approach to Wigner transforms and classical Liouville dynamics in phase-space is presented. The Wigner transform can be obtained with a given accuracy by optimal decomposition of an initial quantum-mechanical wavefunction in terms of a minimal set of Gaussian wavepackets. The solution of the classical Liouville equation within the locally quadratic approximation of the potential energy function requires a representation of the density in terms of an ensemble of narrow Gaussian phase-space packets. The corresponding equations of motion can be efficiently solved by a modified Leap-Frog integrator. For both problems the use of Monte-Carlo based techniques allows numerical calculation in multidimensional cases where grid-based methods such as fast Fourier transforms are prohibitive. In total, the proposed strategy provides a practical and efficient tool for classical Liouville dynamics with quantum-mechanical initial states

Nonadiabatic Effects on Peptide Vibrational Dynamics Induced by Conformational Changes

Quantum dynamical simulations of vibrational spectroscopy have been carried out for glycine dipeptide (CH3-CO-NH-CH2-CO-NH-CH3). Conformational structure and dynamics are modeled in terms of the two Ramachandran dihedral angles of the molecular backbone. Potential energy surfaces and harmonic frequencies are obtained from electronic structure calculations at the density functional theory (B3LYP/6-31+G(d)) level. The ordering of the energetically most stable isomers (C7 and C5) is reversed upon inclusion of the quantum mechanical zero point vibrational energy. Vibrational spectra of various isomers show distinct differences, mainly in the region of the amide modes, thereby relating conformational structures and vibrational spectra. Conformational dynamics is modeled by propagation of quantum mechanical wave packets. Assuming a directed energy transfer to the torsional degrees of freedom, transitions between the C7 and C5 minimum energy structures occur on a sub-picosecond timescale (700 ... 800 fs). Vibrationally non-adiabatic effects are investigated for the case of the coupled, fundamentally excited amide I states. Using a two state-two mode model, the resulting wave packet dynamics is found to be strongly non-adiabatic due to the presence of a seam of the two potential energy surfaces. Initially prepared adiabatic vibrational states decay upon conformational change on a timescale of 200 ... 500 fs with population transfer of more than 50 % between the coupled amide I states. Also the vibrational energy transport between localized (excitonic) amide I vibrational states is strongly influenced by torsional dynamics of the molecular backbone where both enhanced and reduced decay rates are found. All these observations should allow the detection of conformational changes by means of time-dependent vibrational spectroscopy

Archeops, mapping the CMB sky from large to small angular scales

Archeops is a balloon-borne experiment designed to measure the temperature fluctuations of the CMB on a large region of the sky ($\simeq 30$) with a high angular resolution (10 arcminutes) and a high sensitivity ($60\mu K$ per pixel). Archeops will perform a measurement of the CMB anisotropies power spectrum from large angular scales ($\ell\simeq 30$) to small angular scales ($\ell \simeq 800$). Archeops flew for the first time for a test flight in July 1999 from Sicily to Spain and the first scientific flight took place from Sweden to Russia in January 2001. The data analysis is on its way and I present here preliminary results, realistic simulations showing the expected accuracy on the measurement of the power spectrum and perspectives for the incoming flights (Winter 2001/2003).Comment: 6 pages, 6 figures, proceedings to TAUP2001 conference, LNGS, Italy, Sept. 200

Transition temperature in QCD with physical light and strange quark masses

We present results from a calculation of the transition temperature in QCD with two light and one heavier (strange) quark mass on lattices with temporal extent N_t =4 and 6. Calculations with improved staggered fermions have been performed with a strange quark mass fixed close to its physical value and for various light to strange quark mass ratios that correspond to light pseudo-scalar masses in the range (150-500) MeV. From a combined extrapolation to the chiral (m_l -> 0) and continuum (aT -> 0) limits we obtain for the transition temperature at the physical point T_c = 192(7)(4) MeV. We also present first results from an ongoing calculation of the QCD equation of state with almost realistic light and strange quark masses.Comment: 4 pages, 4 figures, to appear in the proceedings of the 19th International Conference on Ultra-Relativistic Nucleus-Nucleus Collisions, Shanghai, Nov. 200

Bending and wrinkling as competing relaxation pathways for strained free-hanging films

An equilibrium phase diagram for the shape of compressively strained free-hanging films is developed by total strain energy minimization. For small strain gradients {\Delta}{\epsilon}, the film wrinkles, while for sufficiently large {\Delta}{\epsilon}, a phase transition from wrinkling to bending occurs. We consider competing relaxation mechanisms for free-hanging films, which have rolled up into tube structures, and we provide an upper limit for the maximum achievable number of tube rotations.Comment: 4 pages, 4 figure