A new method for calculating time-dependent quantum correlation functions for systems with many degrees of freedom

1989 ◽  
Vol 155 (4-5) ◽  
pp. 376-380 ◽  
Author(s):  
Andrew E. Depristo ◽  
Kenneth Haug ◽  
Horia Metiu
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen

This introductory chapter considers first the relation between molecular reaction dynamics and the major branches of physical chemistry. The concept of elementary chemical reactions at the quantized state-to-state level is discussed. The theoretical description of these reactions based on the time-dependent Schrödinger equation and the Born–Oppenheimer approximation is introduced and the resulting time-dependent Schrödinger equation describing the nuclear dynamics is discussed. The chapter concludes with a brief discussion of matter at thermal equilibrium, focusing at the Boltzmann distribution. Thus, the Boltzmann distribution for vibrational, rotational, and translational degrees of freedom is discussed and illustrated.


2018 ◽  
Vol 33 (4) ◽  
pp. 592-602
Author(s):  
Amanda Mattsson ◽  
Tetsu Uesaka

Abstract In end-use, containerboard is subjected to a variety of loading histories, such as seconds of loading/unloading, hours of vibration, days of creep load. The fundamental question is whether the commonly measured static strength represents “strength” under these conditions. Another question is, since those time-dependent failures are notoriously variable, how to describe the probabilistic aspect. This study concerns the characterisation of these different facets of “strength”. In our earlier work, we have investigated the theoretical framework for time-dependent, probabilistic failures, and identified three material parameters: (1) characteristic strength, {S_{c}}, representing short-term strength, (2) brittleness/durability parameter, ρ, and (3) reliability parameter, β. We have also developed a new method that allows us to determine all these parameters much faster than typical creep tests. Using the new method, we have started investigating effects of basic papermaking variables on the new material parameters. Among the samples tested, the parameter ρ varied from 20 to 50, and β from 0.5 to 1.0. This suggests that, even within the current papermaking practice, there is a wide operating window to tune these new material parameters. The future work is, therefore, to find specific manufacturing variables that can systematically change these new material parameters.


1964 ◽  
Vol 1 (9) ◽  
pp. 29
Author(s):  
William S. Gaither ◽  
David P. Billington

This paper is addressed to the problem of structural behavior in an offshore environment, and the application of a more rigorous analysis for time-dependent forces than is currently used. Design of pile supported structures subjected to wave forces has, in the past, been treated in two parts; (1) a static analysis based on the loading of a single wave, and (2) a dynamic analysis which sought to determine the resonant frequency by assuming that the structure could be approximated as a single-degree-of-freedom system. (Ref. 4 and 6) The behavior of these structures would be better understood if the dynamic nature of the loading and the many degrees of freedom of the system were included. A structure which is built in the open ocean is subjected to periodic forces due to wind, waves, floating objects, and due occasionally to machinery mounted on the structure. To resist motion, the structure relies on the stiffness of the elements from which it is built and the restraints of the ocean bottom into which the supporting legs are driven.


2004 ◽  
Vol 121 (16) ◽  
pp. 7565 ◽  
Author(s):  
Alessandro Sergi ◽  
Raymond Kapral

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