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61.
62.
We present a formalism to describe collisional correlations responsible for thermalization effects in finite quantum systems. The approach consists in a stochastic extension of time dependent mean field theory. Correlations are treated in time dependent perturbation theory and loss of coherence is assumed at some time intervals allowing a stochastic reduction of the correlated dynamics in terms of a stochastic ensemble of time dependent mean-fields. This theory was formulated long ago in terms of density matrices but never applied in practical cases because of its complexity. We propose here a reformulation of the theory in terms of wave functions and use a simplified 1D model of cluster and molecules allowing to test the theory in a schematic but realistic manner. We illustrate the performance in terms of several observables, in particular global moments of the density matrix and single particle entropy built on occupation numbers. The occupation numbers remain fixed in time dependent mean-field propagation and change when evaluating the correlations, then taking fractional values. They converge asymptotically towards Fermi distributions which is a clear indication of thermalization. 相似文献
63.
64.
Efficient Evaluation of the Elastic Forces and the Jacobian in the Absolute Nodal Coordinate Formulation 总被引:1,自引:0,他引:1
This paper develops a new procedure for evaluating the elastic forces, the elastic energy and the jacobian of the elastic
forces in the absolute nodal coordinate formulation. For this procedure, it is fundamental to use some invariant sparse matrices
that are integrated in advance and have the property of transforming the evaluation of the elastic forces in a matrix multiplication
process. The use of the invariant matrices avoids the integration over the volume of the element for every evaluation of the
elastic forces. Great advantages can be achieved from these invariant matrices when evaluating the elastic energy and calculating
the jacobian of the elastic forces as well. The exact expression of the jacobian of the differential system of equations of
motion is obtained, and some advantages of using the absolute nodal coordinate formulation are pointed out. Numerical results
show that there is important time saving as a result of the use of the invariant matrices. 相似文献
65.
Landon M. Kanner 《International Journal of Non》2007,42(2):204-215
This paper is concerned with investigation of the effects of strain-stiffening on the classical limit point instability that is well-known to occur in the inflation of internally pressurized rubber-like spherical thin shells (balloons) and circular cylindrical thin tubes composed of incompressible isotropic non-linearly elastic materials. For a variety of specific strain-energy densities that give rise to strain-stiffening in the stress-stretch response, the inflation pressure versus stretch relations are given explicitly and the non-monotonic character of the inflation curves is examined. While such results are known for constitutive models that exhibit a gradual stiffening (e.g. exponential and power-law models), our primary focus is on materials that undergo severe strain-stiffening in the stress-stretch response. In particular, we consider two phenomenological constitutive models that reflect limiting chain extensibility at the molecular level. It is shown that for materials with sufficiently low extensibility no limit point instability occurs and so stable inflation is then predicted for such materials. Potential applications of the results to the biomechanics of soft tissues are indicated. 相似文献
66.
Ofir E. Alon 《Entropy (Basel, Switzerland)》2020,22(12)
A solvable model of a periodically driven trapped mixture of Bose–Einstein condensates, consisting of interacting bosons of mass driven by a force of amplitude and interacting bosons of mass driven by a force of amplitude , is presented. The model generalizes the harmonic-interaction model for mixtures to the time-dependent domain. The resulting many-particle ground Floquet wavefunction and quasienergy, as well as the time-dependent densities and reduced density matrices, are prescribed explicitly and analyzed at the many-body and mean-field levels of theory for finite systems and at the limit of an infinite number of particles. We prove that the time-dependent densities per particle are given at the limit of an infinite number of particles by their respective mean-field quantities, and that the time-dependent reduced one-particle and two-particle density matrices per particle of the driven mixture are condensed. Interestingly, the quasienergy per particle does not coincide with the mean-field value at this limit, unless the relative center-of-mass coordinate of the two Bose–Einstein condensates is not activated by the driving forces and . As an application, we investigate the imprinting of angular momentum and its fluctuations when steering a Bose–Einstein condensate by an interacting bosonic impurity and the resulting modes of rotations. Whereas the expectation values per particle of the angular-momentum operator for the many-body and mean-field solutions coincide at the limit of an infinite number of particles, the respective fluctuations can differ substantially. The results are analyzed in terms of the transformation properties of the angular-momentum operator under translations and boosts, and as a function of the interactions between the particles. Implications are briefly discussed. 相似文献
67.
Dr. Ksenia S. Egorova Alexey S. Galushko Prof. Valentine P. Ananikov 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(50):22480-22489
In this Essay, we present a critical analysis of two common practices in modern chemistry—that is, of using speculations about the “greenness” and “nontoxicity” of developed synthesis procedures and of a priori labelling various compounds derived from natural sources as being environmentally safe. We note that every organic molecule that contains functional groups should be biologically active. Thus, analysis of the particular greenness and the potential environmental impact of a given chemical process should account for the biological activity of all its components in a measureable (rather than empirical) way. We highlight the necessity of clarifying discussions on biological activity and toxicity and propose possible ways of introducing tox-Profiles as a reliable overview of the overall toxicity of chemical reactions. 相似文献
68.
69.
Amna Jabbar Siddiqui Caroline Le Snchal Sbastien Vilain Corinne Bur 《Journal of mass spectrometry : JMS》2020,55(10)
Lipid A is a major compound of the outer membrane of gram‐negative bacteria and is a key factor of bacterial virulence. As lipid A's structure differs among bacterial species and varies between strains of the same species, knowing its modifications is essential to understand its implications in the infectious process. To analyze these lipids, matrix‐assisted laser desorption ionization‐mass spectrometry (MALDI‐MS) is a well‐suited method that is fast and efficient. However, there are limitations with the matrix and additives used, such as the suppression of signal or prompt fragmentations that could give a false overview of lipid A composition in biological samples. For a comprehensive analysis of the entire lipid A species present in a sample, we tested 16 matrices and 11 additives on two commercial lipids A. The first commercial one contains single phosphorylation group, and the second contains two phosphorylation and two ketodeoxyoctonic acid (KDO) groups. The lipid A containing KDO groups was essentially detected by the 3‐hydroxypicolinic acid (3‐HPA) matrix, whereas the monophosphorylated lipid A could be detected by 13 matrices out of the 16. We also demonstrated that the signal of diphosphorylated lipid A can be enhanced with the use of additives in the matrix. Our study indicated that the best conditions to obtain a clear signal of both lipids A without prompt fragmentation was the use of 3‐HPA with 10mM trifluoroacetic acid (TFA). 相似文献
70.