Evolutionary Algorithm-based Crystal Structure Prediction for Gold(I) Fluoride

Solid gold(I) fluoride remains as an unsynthesized and uncharacterized compound. We have performed a search for potential gold(I) fluoride crystal structures using USPEX evolutionary algorithm and dispersion-corrected hybrid density functional methods. Over 4000 AuF crystal structures have been investigated. Behavior of the AuF crystal structures under pressure was studied up to 25 GPa, and we also evaluated the thermodynamic stability of the hypothetical AuF crystal structures with respect to AuF₃, AuF₅, and Au₃F₈. Mixed-valence compound Au₃[AuF₄] with Au atoms in various formal oxidation states emerged as the thermodynamically most stable AuF species.     

Brake squeal: a literature review

Brake squeal, which usually falls in the frequency range between 1 and 16 kHz, has been one of the most difficult concerns associated with automotive brake systems since their inception. It causes customer dissatisfaction and increases warranty costs. Although substantial research has been conducted into predicting and eliminating brake squeal since the 1930s, it is still rather difficult to predict its occurrence. In this paper, the characteristics and current difficulties encountered in tackling brake squeal are first described. A review of the analytical, experimental and numerical methods used for the investigation of brake squeal is then given. Some of the challenges facing brake squeal research are outlined.     

Thermodynamic calculations in relativistic finite-temperature quantum field theories

A Minkowski space formalism of finite-temperature quantum field theory is used to compute static thermodynamic quantities in the one- and two-loop approximation in an elegant and straightforward way using a generalization of Weinberg's tadpole method of calculating effective potentials. Systematic diagrammatic techniques for low- and high-temperature expansions are developed. Renormalizability by zero-temperature symmetric counterterms is proven for all orders in the loop expansion and demonstrated explicitly to two loops. Many useful computational techniques applicable to general finite temperature calculations are explained.     

Optimal multiqubit operations for Josephson charge qubits

We introduce a method for finding the required control parameters for a quantum computer that yields the desired quantum algorithm without invoking elementary gates. We concentrate on the Josephson charge-qubit model, but the scenario is readily extended to other physical realizations. Our strategy is to numerically find any desired double- or triple-qubit gate. The motivation is the need to significantly accelerate quantum algorithms in order to fight decoherence.     

Semi-Classical Dynamics in Quantum Spin Systems

We consider two limiting regimes, the large-spin and the mean-field limit, for the dynamical evolution of quantum spin systems. We prove that, in these limits, the time evolution of a class of quantum spin systems is determined by a corresponding Hamiltonian dynamics of classical spins. This result can be viewed as a Egorov-type theorem. We extend our results to the thermodynamic limit of lattice spin systems and continuum domains of infinite size, and we study the time evolution of coherent spin states in these limiting regimes.     

Structural and magnetic properties of pulsed laser deposited SrRuO3/CoFe2O4/La2/3Sr1/3MnO3 magnetic oxide heterostructures on SrTiO3(001) and MgO(001)

We report on the growth of all-oxide SrRuO₃/CoFe₂O₄/La_2/3Sr_1/3MnO₃ and La_2/3Sr_1/3MnO₃/CoFe₂O₄/SrRuO₃ heterostuctures on SrTiO₃(001) and MgO(001) substrates by pulsed laser deposition. Structural analyses by X-ray diffraction and transmission electron microscopy clearly indicate the preservation of epitaxial relations when the La_2/3Sr_1/3MnO₃ layer is grown first, whereas trilayers with SrRuO₃ at the bottom are more disordered. Both the substrate material and the deposition sequence strongly influence the formation of various structural defects such as interfacial dislocations and sub-grain structures, and this is clearly reflected by a reduction of the saturation magnetization in the top electrode. When the substrate material and the deposition sequence are correctly chosen, however, the magnetic moments of the La_2/3Sr_1/3MnO₃ and SrRuO₃ layers reverse independently, and the La_2/3Sr_1/3MnO₃ layer retains bulk-like magnetic properties.     

A new a posteriori error estimate for convection–reaction–diffusion problems

A new a posteriori error estimate is derived for the stationary convection–reaction–diffusion equation. In order to estimate the approximation error in the usual energy norm, the underlying bilinear form is decomposed into a computable integral and two other terms which can be estimated from above using elementary tools of functional analysis. Two auxiliary parameter-functions are introduced to construct such a splitting and tune the resulting bound. If these functions are chosen in an optimal way, the exact energy norm of the error is recovered, which proves that the estimate is sharp. The presented methodology is completely independent of the numerical technique used to compute the approximate solution. In particular, it is applicable to approximations which fail to satisfy the Galerkin orthogonality, e.g. due to an inconsistent stabilization, flux limiting, low-order quadrature rules, round-off and iteration errors, etc. Moreover, the only constant that appears in the proposed error estimate is global and stems from the Friedrichs–Poincaré inequality. Numerical experiments illustrate the potential of the proposed error estimation technique.     

An efficient Schottky-varactor frequency multiplier at millimeter waves. Part IV. Quintupler

The multiplication efficiency of a millimeter-wave Schottky-varactor quintupler with fixed idler terminations was studied. The highest efficiency measured was 4.2% at 168 GHz with 10 mW input power and 3.3% with 40 mW input power. Over the range from 165 GHz to 170 GHz the output power was 0.7–1.3 mW withp _in =40 mW.