From transistor to trapped-ion computers for quantum chemistry

Over the last few decades, quantum chemistry has progressed through the development of computational methods based on modern digital computers. However, these methods can hardly fulfill the exponentially-growing resource requirements when applied to large quantum systems. As pointed out by Feynman, this restriction is intrinsic to all computational models based on classical physics. Recently, the rapid advancement of trapped-ion technologies has opened new possibilities for quantum control and quantum simulations. Here, we present an efficient toolkit that exploits both the internal and motional degrees of freedom of trapped ions for solving problems in quantum chemistry, including molecular electronic structure, molecular dynamics, and vibronic coupling. We focus on applications that go beyond the capacity of classical computers, but may be realizable on state-of-the-art trapped-ion systems. These results allow us to envision a new paradigm of quantum chemistry that shifts from the current transistor to a near-future trapped-ion-based technology.

Subdiffusion of nonlinear waves in quasiperiodic potentials

19 p.

Sliding Mode Control Strategy for Wind Turbine Power Maximization

The efficiency of the wind power conversions systems can be greatly improved using an appropriate control algorithm. In this work, a sliding mode control for variable speed wind turbine that incorporates a doubly fed induction generator is described. The electrical system incorporates a wound rotor induction machine with back-to-back three phase power converter bridges between its rotor and the grid. In the presented design the so-called vector control theory is applied, in order to simplify the electrical equations. The proposed control scheme uses stator flux-oriented vector control for the rotor side converter bridge control and grid voltage vector control for the grid side converter bridge control. The stability analysis of the proposed sliding mode controller under disturbances and parameter uncertainties is provided using the Lyapunov stability theory. Finally simulated results show, on the one hand, that the proposed controller provides high-performance dynamic characteristics, and on the other hand, that this scheme is robust with respect to the uncertainties that usually appear in the real systems.

Effect of Molecular Flexibility on the Nematic-to-Isotropic Phase Transition for Highly Biaxial Molecular Non-Symmetric Liquid Crystal Dimers

In this work, a study of the nematic (N)-isotropic (I) phase transition has been made in a series of odd non-symmetric liquid crystal dimers, the alpha-(4-cyanobiphenyl-4'-yloxy)-omega-(1-pyrenimine-benzylidene-4'-oxy) alkanes, by means of accurate calorimetric and dielectric measurements. These materials are potential candidates to present the elusive biaxial nematic (N-B) phase, as they exhibit both molecular biaxiality and flexibility. According to the theory, the uniaxial nematic (N-U)-isotropic (I) phase transition is first-order in nature, whereas the N-B-I phase transition is second-order. Thus, a fine analysis of the critical behavior of the N-I phase transition would allow us to determine the presence or not of the biaxial nematic phase and understand how the molecular biaxiality and flexibility of these compounds influences the critical behavior of the N-I phase transition.

Unconventional spin texture of a topologically nontrivial semimetal Sb(110)

9 p.

Choice under Risk : Theory and Applications

Es útil para estudiantes de postgrado (Master y Doctorado) en cursos de Economía o de Microeconomía en los que se analicen problemas de Decisión en condiciones de Riesgo o Incertidumbre. El documento comienza explicando la Teoría de la Utilidad Esperada. A continuación se estudian la aversión al riesgo, los coeficientes de aversión absoluta y relativa al riesgo, la relación “más averso que” entre agentes económicos y los efectos riqueza sobre las decisiones en algunas relaciones de preferencia utilizadas frecuentemente en el análisis económico. La sección 4 se centra en la comparación entre alternativas arriesgadas en términos de rendimiento y riesgo, considerando la dominancia estocástica de primer y segundo orden y algunas extensiones posteriores de esas relaciones de orden. El documento concluye con doce ejercicios resueltos en los que se aplican los conceptos y resultados expuestos en las secciones anteriores a problemas de decisión en varios contextos

New Strain Gradient Theory And Analysis

A new strain gradient theory which is based on energy nonlocal model is proposed in this paper, and the theory is applied to investigate the size effects in thin metallic wire torsion, ultra-thin beam bending and micro-indentation of polycrystalline copper. First, an energy nonlocal model is suggested. Second, based on the model, a new strain gradient theory is derived. Third, the new theory is applied to analyze three representative experiments.

An extension of the two dimensional JKR theory to the case with a large contact width

In the Hertz and JKR theories, parabolic assumptions for the rounded profiles of the sphere or cylinder are adopted under the condition that the contact radius (width) should be very small compared to the radius of the sphere or cylinder. However, a large contact radius (width) is often found in experiments even under a zero external loading. We aim at extending the plane strain JKR theory to the case with a large contact width. The relation between the external loading and the contact width is given. Solutions for the Hertz, JKR and rounded-profile cases are compared and analyzed. It is found that when the ratio of a/R is approximately larger than about 0.4, the parabolic assumptions in the Hertz and JKR theories are no longer valid and the exact rounded profile function should be used.

The elasto-damage theory of the components assembling model

The potential energy in materials is well approximated by pair functional which is composed of pair potentials and embedding energy. During calculating material potential energy, the orientational component and the volumetric component are derived respectively from pair potentials and embedding energy. The sum of energy of all these two kinds of components is the material potential. No matter how microstructures change, damage or fracture, at the most level, they are all the changing and breaking atomic bonds. As an abstract of atomic bonds, these components change their stiffness during damaging. Material constitutive equations have been formulated by means of assembling all components' response functions. This material model is called the component assembling model. Theoretical analysis and numerical computing indicate that the proposed model has the capacity of reproducing some results satisfactorily, with the advantages of great conceptual simplicity, physical explicitness, and intrinsic induced anisotropy, etc.