scholarly journals Microwave experiments in the realm of fidelity

2016 ◽  
Vol 374 (2069) ◽  
pp. 20150158 ◽  
Author(s):  
U. Kuhl
Keyword(s):  
Weak Coupling ◽  
Chaotic Systems ◽  
Review Article ◽  
Main Ingredient ◽  
Local Boundary ◽  
Global And Local ◽  
Fidelity Decay ◽  
Boundary Perturbations

In this review article, we will demonstrate the power of microwave experiments in the realm of fidelity also known as Loschmidt echoes. As the determination of the fidelity itself is experimentally tedious and error prone, we will introduce the scattering fidelity which under the conditions of chaotic systems and weak coupling approaches the fidelity itself. The main ingredient in fidelity investigations is the type and strength of a perturbation. The perturbations presented here will be both global and local boundary perturbations, as well as local perturber movements but also the change of coupling to the environment. All these perturbations will produce their own fidelity decay as a function of the perturbation strength, which will be discussed in this article.

Evaluation of web reinforcements in prestressed concrete box girders through shear-transverse bending domains

2020 ◽  
pp. 136943322098170
Author(s):  
Michele Fabio Granata ◽  
Antonino Recupero
Keyword(s):  
Analytical Model ◽  
Prestressed Concrete ◽  
3D Analysis ◽  
Box Girders ◽  
Element Analysis ◽  
Cross Sectional ◽  
Interaction Domains ◽  
Global And Local ◽  
Resultant Forces

In concrete box girders, the amount and distribution of reinforcements in the webs have to be estimated considering the local effects due to eccentric external loads and cross-sectional distortion and not only the global effect due to the resultant forces of a longitudinal analysis: shear, torsion and bending. This work presents an analytical model that allows designers to take into account the interaction of all these effects, global and local, for the determination of the reinforcements. The model is based on the theory of stress fields and it has been compared to a 3D finite element analysis, in order to validate the interaction domains. The results show how the proposed analytical model allows an easy and reliable reinforcement evaluation, in agreement with a more refined 3D analysis but with a reduced computational burden.

scholarly journals Determination of α(Mz) from an hyperasymptotic approximation to the energy of a static quark-antiquark pair

2020 ◽  
Vol 2020 (9) ◽  
Author(s):  
Cesar Ayala ◽  
Xabier Lobregat ◽  
Antonio Pineda
Keyword(s):  
Perturbation Theory ◽  
Energy Range ◽  
Short Distance ◽  
Weak Coupling ◽  
Strong Consistency ◽  
Lattice Data ◽  
Static Potential ◽  
Static Energy ◽  
Static Quark

Abstract We give the hyperasymptotic expansion of the energy of a static quark-antiquark pair with a precision that includes the effects of the subleading renormalon. The terminants associated to the first and second renormalon are incorporated in the analysis when necessary. In particular, we determine the normalization of the leading renormalon of the force and, consequently, of the subleading renormalon of the static potential. We obtain $$ {Z}_3^F $$ Z 3 F (nf = 3) = $$ 2{Z}_3^V $$ 2 Z 3 V (nf = 3) = 0.37(17). The precision we reach in strict perturbation theory is next-to-next-to-next-to-leading logarithmic resummed order both for the static potential and for the force. We find that the resummation of large logarithms and the inclusion of the leading terminants associated to the renormalons are compulsory to get accurate determinations of $$ {\Lambda}_{\overline{\mathrm{MS}}} $$ Λ MS ¯ when fitting to short-distance lattice data of the static energy. We obtain $$ {\Lambda}_{\overline{\mathrm{MS}}}^{\left({n}_f=3\right)} $$ Λ MS ¯ n f = 3 = 338(12) MeV and α(Mz) = 0.1181(9). We have also MS found strong consistency checks that the ultrasoft correction to the static energy can be computed at weak coupling in the energy range we have studied.

scholarly journals The State-space Model of Micro-chaos

2021 ◽  
Vol 15 ◽  
pp. 184-189
Author(s):  
Gabor Csernak ◽  
Gabor Stepan
Keyword(s):  
Chaotic Systems ◽  
Initial Conditions ◽  
State Space Model ◽  
Unstable State ◽  
Considerable Influence ◽  
Chaotic Oscillations ◽  
Controlled System ◽  
Space Model ◽  
Digitally Controlled

Micro-chaos is the phenomenon when the sampling, the delay and the round-off lead to small amplitude chaotic oscillations in a digitally controlled system. It has been proved mathematically during the last few years in a couple of simple cases that the evolving vibrations are indeed chaotic. In this study, we partially generalize these results to the case when an originally unstable state of a system is stabilized by digital feedback control. It is pointed out that this type of systems are sensitive to initial conditions and there exists a finite attracting domain in their phase-space. We also show that the oscillations, related to micro-chaos may have a considerable influence on the accuracy and settling time of the control system. The application of numerical techniques is unavoidable in the case of chaotic systems. Several possibilities are highlighted in the paper for the numerical determination of important characteristics of microchaotic oscillations.

scholarly journals Quantum Crystallography in the Last Decade: Developments and Outlooks

Crystals ◽  
2020 ◽  
Vol 10 (6) ◽  
pp. 473 ◽  
Author(s):  
Alessandro Genoni ◽  
Piero Macchi
Keyword(s):  
Electron Density ◽  
Review Article ◽  
Quantum Mechanical ◽  
Spin Models ◽  
The Past ◽  
Core Electrons ◽  
Mechanical Information ◽  
Quantum Crystallography ◽  
Density Modelling

In this review article, we report on the recent progresses in the field of quantum crystallography that has witnessed a massive increase of production coupled with a broadening of the scope in the last decade. It is shown that the early thoughts about extracting quantum mechanical information from crystallographic experiments are becoming reality, although a century after prediction. While in the past the focus was mainly on electron density and related quantities, the attention is now shifting toward determination of wavefunction from experiments, which enables an exhaustive determination of the quantum mechanical functions and properties of a system. Nonetheless, methods based on electron density modelling have evolved and are nowadays able to reconstruct tiny polarizations of core electrons, coupling charge and spin models, or determining the quantum behaviour at extreme conditions. Far from being routine, these experimental and computational results should be regarded with special attention by scientists for the wealth of information on a system that they actually contain.

scholarly journals Calculation of the Global and Local Conceptual DFT Indices for the Prediction of the Chemical Reactivity Properties of Papuamides A–F Marine Drugs

Molecules ◽  
2019 ◽  
Vol 24 (18) ◽  
pp. 3312 ◽  
Author(s):  
Norma Flores-Holguín ◽  
Juan Frau ◽  
Daniel Glossman-Mitnik
Keyword(s):  
Density Functional Theory ◽  
Active Sites ◽  
Density Functional ◽  
Chemical Reactivity ◽  
Active Regions ◽  
Conceptual Density Functional Theory ◽  
Functional Theory ◽  
Reactivity Descriptors ◽  
Global And Local

A well-behaved model chemistry previously validated for the study of the chemical reactivity of peptides was considered for the calculation of the molecular properties and structures of the Papuamide family of marine peptides. A methodology based on Conceptual Density Functional Theory (CDFT) was chosen for the determination of the reactivity descriptors. The molecular active sites were associated with the active regions of the molecules related to the nucleophilic and electrophilic Parr functions. Finally, the drug-likenesses and the bioactivity scores for the Papuamide peptides were predicted through a homology methodology relating them with the calculated reactivity descriptors, while other properties such as the pKas were determined following a methodology developed by our group.

scholarly journals Virtual Screening of Marine Natural Compounds by Means of Chemoinformatics and CDFT-Based Computational Peptidology

Marine Drugs ◽  
2020 ◽  
Vol 18 (9) ◽  
pp. 478
Author(s):  
Norma Flores-Holguín ◽  
Juan Frau ◽  
Daniel Glossman-Mitnik
Keyword(s):  
Virtual Screening ◽  
Density Functional ◽  
Computational Study ◽  
Molecular System ◽  
Chemical Reactivity ◽  
Conceptual Density Functional Theory ◽  
Qsar Studies ◽  
Biological Targets ◽  
Global And Local

This work presents the results of a computational study of the chemical reactivity and bioactivity properties of the members of the theopapuamides A-D family of marine peptides by making use of our proposed methodology named Computational Peptidology (CP) that has been successfully considered in previous studies of this kind of molecular system. CP allows for the determination of the global and local descriptors that come from Conceptual Density Functional Theory (CDFT) that can give an idea about the chemical reactivity properties of the marine natural products under study, which are expected to be related to their bioactivity. At the same time, the validity of the procedure based on the adoption of the KID (Koopmans In DFT) technique, as well as the MN12SX/Def2TZVP/H2O model chemistry is successfully verified. Together with several chemoinformatic tools that can be used to improve the process of virtual screening, some additional properties of these marine peptides are identified related to their ability to behave as useful drugs. With the further objective of analyzing their bioactivity, some useful parameters for future QSAR studies, their predicted biological targets, and the ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) parameters related to the theopapuamides A-D pharmacokinetics are also reported.

Past, present, and future of geophysical inversion—A new millennium analysis

Geophysics ◽  
2001 ◽  
Vol 66 (1) ◽  
pp. 21-24 ◽  
Author(s):  
Sven Treitel ◽  
Larry Lines
Keyword(s):  
Inverse Problem ◽  
Review Article ◽  
Data Sets ◽  
Inversion Process ◽  
Geophysical Inversion ◽  
Field Recordings ◽  
Theory To Practice ◽  
Rough Model ◽  
Recorded Data

Geophysicists have been working on solutions to the inverse problem since the dawn of our profession. An interpreter infers subsurface properties on the basis of observed data sets, such as seismograms or potential field recordings. A rough model of the process that produces the recorded data resides within the interpreter’s brain; the interpreter then uses this rough mental model to reconstruct subsurface properties from the observed data. In modern parlance, the inference of subsurface properties from observed data is identified with the solution of a so‐called “inverse problem.” In contrast, the “forward problem” consists of the determination of the data that would be recorded for a given subsurface configuration and under the assumption that given laws of physics hold. Until the early 1960s, geophysical inversion was carried out almost exclusively within the geophysicist’s brain. Since then, we have learned to make the geophysical inversion process much more quantitative and versatile by recourse to a growing body of theory, along with the computer power to reduce this theory to practice. We should point out the obvious, however, namely that no theory and no computer algorithm can presumably replace the ultimate arbiter who decides whether the results of an inversion make sense or nonsense: the geophysical interpreter. Perhaps our descendants writing a future third Millennium review article can report that a machine has been solving the inverse problem without a human arbiter. For the time being, however, what might be called “unsupervised geophysical inversion” remains but a dream.

Determination of correlation spectra in chaotic systems

1990 ◽  
Vol 65 (17) ◽  
pp. 2087-2090 ◽  
Author(s):  
F. Christiansen ◽  
G. Paladin ◽  
H. H. Rugh
Keyword(s):  
Chaotic Systems
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