Quantum Fluctuations Driven Orientational Disordering: A Finite-Size Scaling Study

The orientational ordering transition is investigated in the quantum generalization of the anisotropic-planar-rotor model in the low temperature regime. The phase diagram of the model is first analyzed within the mean-field approximation. This predicts at $T=0$ a phase transition from the ordered to the disordered state when the strength of quantum fluctuations, characterized by the rotational constant $\Theta$, exceeds a critical value $\Theta_{\rm c}^{MF}$. As a function of temperature, mean-field theory predicts a range of values of $\Theta$ where the system develops long-range order upon cooling, but enters again into a disordered state at sufficiently low temperatures (reentrance). The model is further studied by means of path integral Monte Carlo simulations in combination with finite-size scaling techniques, concentrating on the region of parameter space where reentrance is predicted to occur. The phase diagram determined from the simulations does not seem to exhibit reentrant behavior; at intermediate temperatures a pronounced increase of short-range order is observed rather than a genuine long-range order.Comment: 27 pages, 8 figures, RevTe

Pattern formation without heating in an evaporative convection experiment

We present an evaporation experiment in a single fluid layer. When latent heat associated to the evaporation is large enough, the heat flow through the free surface of the layer generates temperature gradients that can destabilize the conductive motionless state giving rise to convective cellular structures without any external heating. The sequence of convective patterns obtained here without heating, is similar to that obtained in B\'enard-Marangoni convection. This work present the sequence of spatial bifurcations as a function of the layer depth. The transition between square to hexagonal pattern, known from non-evaporative experiments, is obtained here with a similar change in wavelength.Comment: Submitted to Europhysics Letter

Melting of Colloidal Molecular Crystals on Triangular Lattices

The phase behavior of a two-dimensional colloidal system subject to a commensurate triangular potential is investigated. We consider the integer number of colloids in each potential minimum as rigid composite objects with effective discrete degrees of freedom. It is shown that there is a rich variety of phases including ``herring bone'' and ``Japanese 6 in 1'' phases. The ensuing phase diagram and phase transitions are analyzed analytically within variational mean-field theory and supplemented by Monte Carlo simulations. Consequences for experiments are discussed.Comment: 10 pages, 4 figure

Precision high voltage divider for the KATRIN experiment

The Karlsruhe Tritium Neutrino Experiment (KATRIN) aims to determine the absolute mass of the electron antineutrino from a precise measurement of the tritium beta-spectrum near its endpoint at 18.6 keV with a sensitivity of 0.2 eV. KATRIN uses an electrostatic retardation spectrometer of MAC-E filter type for which it is crucial to monitor high voltages of up to 35 kV with a precision and long-term stability at the ppm level. Since devices capable of this precision are not commercially available, a new high voltage divider for direct voltages of up to 35 kV has been designed, following the new concept of the standard divider for direct voltages of up to 100 kV developed at the Physikalisch-Technische Bundesanstalt (PTB). The electrical and mechanical design of the divider, the screening procedure for the selection of the precision resistors, and the results of the investigation and calibration at PTB are reported here. During the latter, uncertainties at the low ppm level have been deduced for the new divider, thus qualifying it for the precision measurements of the KATRIN experiment.Comment: 22 pages, 12 figure

Efficient formalism for large scale ab initio molecular dynamics based on time-dependent density functional theory

A new "on the fly" method to perform Born-Oppenheimer ab initio molecular dynamics (AIMD) is presented. Inspired by Ehrenfest dynamics in time-dependent density functional theory, the electronic orbitals are evolved by a Schroedinger-like equation, where the orbital time derivative is multiplied by a parameter. This parameter controls the time scale of the fictitious electronic motion and speeds up the calculations with respect to standard Ehrenfest dynamics. In contrast to other methods, wave function orthogonality needs not be imposed as it is automatically preserved, which is of paramount relevance for large scale AIMD simulations.Comment: 5 pages, 3 color figures, revtex4 packag

Flux Analysis Uncovers Key Role of Functional Redundancy in Formaldehyde Metabolism

Genome-scale analysis of predicted metabolic pathways has revealed the common occurrence of apparent redundancy for specific functional units, or metabolic modules. In many cases, mutation analysis does not resolve function, and instead, direct experimental analysis of metabolic flux under changing conditions is necessary. In order to use genome sequences to build models of cellular function, it is important to define function for such apparently redundant systems. Here we describe direct flux measurements to determine the role of redundancy in three modules involved in formaldehyde assimilation and dissimilation in a bacterium growing on methanol. A combination of deuterium and (14)C labeling was used to measure the flux through each of the branches of metabolism for growth on methanol during transitions into and out of methylotrophy. The cells were found to differentially partition formaldehyde among the three modules depending on the flux of methanol into the cell. A dynamic mathematical model demonstrated that the kinetic constants of the enzymes involved are sufficient to account for this phenomenon. We demonstrate the role of redundancy in formaldehyde metabolism and have uncovered a new paradigm for coping with toxic, high-flux metabolic intermediates: a dynamic, interconnected metabolic loop

Addressing student models of energy loss in quantum tunnelling

We report on a multi-year, multi-institution study to investigate student reasoning about energy in the context of quantum tunnelling. We use ungraded surveys, graded examination questions, individual clinical interviews, and multiple-choice exams to build a picture of the types of responses that students typically give. We find that two descriptions of tunnelling through a square barrier are particularly common. Students often state that tunnelling particles lose energy while tunnelling. When sketching wave functions, students also show a shift in the axis of oscillation, as if the height of the axis of oscillation indicated the energy of the particle. We find inconsistencies between students' conceptual, mathematical, and graphical models of quantum tunnelling. As part of a curriculum in quantum physics, we have developed instructional materials to help students develop a more robust and less inconsistent picture of tunnelling, and present data suggesting that we have succeeded in doing so.Comment: Originally submitted to the European Journal of Physics on 2005 Feb 10. Pages: 14. References: 11. Figures: 9. Tables: 1. Resubmitted May 18 with revisions that include an appendix with the curriculum materials discussed in the paper (4 page small group UW-style tutorial