Search results for " mechanics"
showing 10 items of 5066 documents
Shear coefficient determination in linear friction welding of aluminum alloys
2015
In the present study, a combined experimental and numerical investigation on Linear Friction Welding (LFW) of AA2011-T3 aluminum alloy was carried out in order to find the temperature dependent shear coefficient to be used in a 3D numerical model of the process. Torque, oscillation frequency and pressure were acquired in order to calculate the shear stress at the interface. A numerical thermal model was used to calculate the temperature at the interface between the specimens starting from experimental temperatures acquired through a thermocouple embedded in the LFW specimens. Finally, the calculated shear coefficient was used to model the contact between the two specimens in a dedicated 3D,…
Finite-size scaling of charge carrier mobility in disordered organic semiconductors
2016
Simulations of charge transport in amorphous semiconductors are often performed in microscopically sized systems. As a result, charge carrier mobilities become system-size dependent. We propose a simple method for extrapolating a macroscopic, nondispersive mobility from the system-size dependence of a microscopic one. The method is validated against a temperature-based extrapolation [A. Lukyanov and D. Andrienko, Phys. Rev. B 82, 193202 (2010)]. In addition, we provide an analytic estimate of system sizes required to perform nondispersive charge transport simulations in systems with finite charge carrier density, derived from a truncated Gaussian distribution. This estimate is not limited t…
A modified ansatz for explicitly correlated coupled-cluster wave functions that is suitable for response theory
2009
A modified ansatz for explicitly correlated coupled-cluster wave functions with a single correlation factor is set forward. It is based on the fixed amplitude ansatz of Ten-no [Chem. Phys. Lett. 398, 56 (2004)] to which an extra term is added that allows for the explicitly correlated description of singly excited configurations. The new approach has been implemented for coupled-cluster singles and doubles with the aid of automated techniques. Numerical results are presented for vertical excitation energies, and ground and excited state equilibrium distances and harmonic frequencies of diatomics. The new approach is shown to provide a nearly unbiased description of ground and predominantly s…
Error estimation and reduction with cross correlations
2010
Besides the well-known effect of autocorrelations in time series of Monte Carlo simulation data resulting from the underlying Markov process, using the same data pool for computing various estimates entails additional cross correlations. This effect, if not properly taken into account, leads to systematically wrong error estimates for combined quantities. Using a straightforward recipe of data analysis employing the jackknife or similar resampling techniques, such problems can be avoided. In addition, a covariance analysis allows for the formulation of optimal estimators with often significantly reduced variance as compared to more conventional averages.
Original Approach to Synthesize TiO2/ZnO Hybrid Nanosponges Used as Photoanodes for Photoelectrochemical Applications
2021
[EN] In the present work, TiO2/ZnO hybrid nanosponges have been synthesized for the first time. First, TiO2 nanosponges were obtained by anodization under hydrodynamic conditions in a glycerol/water/NH4F electrolyte. Next, in order to achieve the anatase phase of TiO2 and improve its photocatalytic behaviour, the samples were annealed at 450 degrees C for 1 h. Once the TiO2 nanosponges were synthesized, TiO2/ZnO hybrid nanosponges were obtained by electrodeposition of ZnO on TiO2 nanosponges using different temperatures, times, and concentrations of zinc nitrate (Zn(NO3)(2)). TiO2/ZnO hybrid nanosponges were used as photoanodes in photoelectrochemical water splitting tests. The results indi…
Polar bosons in one-dimensional disordered optical lattices
2013
We analyze the effects of disorder and quasi-disorder on the ground-state properties of ultra-cold polar bosons in optical lattices. We show that the interplay between disorder and inter-site interactions leads to rich phase diagrams. A uniform disorder leads to a Haldane-insulator phase with finite parity order, whereas the density-wave phase becomes a Bose-glass at very weak disorder. For quasi-disorder, the Haldane insulator connects with a gapped generalized incommesurate density wave without an intermediate critical region.
Dynamics of thick discs around Schwarzschild-de Sitter black holes
2003
We consider the effects of a cosmological constant on the dynamics of constant angular momentum discs orbiting Schwarzschild-de Sitter black holes. The motivation behind this study is to investigate whether the presence of a radial force contrasting the black hole's gravitational attraction can influence the occurrence of the runaway instability, a robust feature of the dynamics of constant angular momentum tori in Schwarzschild and Kerr spacetimes. In addition to the inner cusp near the black hole horizon through which matter can accrete onto the black hole, in fact, a positive cosmological constant introduces also an outer cusp through which matter can leave the torus without accreting on…
Relativistic simulations of rotational core collapse : I. Methods, initial models, and code tests
2002
We describe an axisymmetric general relativistic code for rotational core collapse. The code evolves the coupled system of metric and fluid equations using the ADM 3+1 formalism and a conformally flat metric approximation of the Einstein equations. The relativistic hydrodynamics equations are formulated as a first-order flux-conservative hyperbolic system and are integrated using high-resolution shock-capturing schemes based on Riemann solvers. We assess the quality of the conformally flat metric approximation for relativistic core collapse and present a comprehensive set of tests which the code successfully passed. The tests include relativistic shock tubes, the preservation of the rotatio…
Probing mechanical quantum coherence with an ultracold-atom meter
2011
We propose a scheme to probe quantum coherence in the state of a nano-cantilever based on its magnetic coupling (mediated by a magnetic tip) with a spinor Bose Einstein condensate (BEC). By mapping the BEC into a rotor, its coupling with the cantilever results in a gyroscopic motion whose properties depend on the state of the cantilever: the dynamics of one of the components of the rotor angular momentum turns out to be strictly related to the presence of quantum coherence in the state of the cantilever. We also suggest a detection scheme relying on Faraday rotation, which produces only a very small back-action on the BEC and it is thus suitable for a continuous detection of the cantilever'…
Ab initio quasi-relativistic calculations on angular momentum and magnetic couplings of molecular electronic states.
2002
Abstract We formulate an ab initio method of quasirelativistic calculations on angular momentum and magnetic transition matrix elements between adiabatic electronic states of molecules. Our approach is based on the construction of a state-selective effective Hamiltonian and transition density matrices by means of the multireference many-body perturbation theory. Pilot applications to the evaluation of B 0 + u → B ″1 u predissociation matrix elements in I 2 and interactions in the B 0 + u ∼ B 1 u complex of Te 2 are reported.