The Combined Simulation Approach of Atomistic and Continuum Models for the Thermodynamics of Lysozyme Crystals

2005 ◽  
Vol 109 (41) ◽  
pp. 19507-19515 ◽  
Author(s):  
Jaeeon Chang ◽  
Abraham M. Lenhoff ◽  
Stanley I. Sandler
2011 ◽  
Author(s):  
Manfred Przybilla ◽  
Christian Kunze ◽  
Serdar Celik ◽  
Shachindra Dongaonkar

2011 ◽  
pp. 339-346
Author(s):  
Uwe Großmann ◽  
Marcus Rechberger ◽  
Jan Blömer ◽  
Jürgen Bertling

2021 ◽  
Vol 2021 ◽  
pp. 1-18
Author(s):  
Valentina Branzi ◽  
Monica Meocci ◽  
Lorenzo Domenichini ◽  
Margherita Calcinai

A significant percentage of road fatalities and injuries occur in the nonmotorway rural road network. One of the main causes of accidents on these roads is represented by overtaking, as, by its nature, it involves a risk of a head-on collision with oncoming traffic. The paper describes a combined simulation approach (driving simulator and traffic microsimulation) designed to examine the influence of different traffic conditions on passing manoeuvres on two-lane two-way rural roads. The main focus was the evaluation of the end of the passing manoeuvre because it reflects the risk of a head-on collision. In addition, the study aimed to assess the usefulness of the proposed combined approach in the ability to proactively and quickly diagnose traffic safety problems and consequently to evaluate appropriate solutions. The data collected with an interactive driving simulator on a sample of 54 participants have been used to adjust some input data of the traffic microsimulation software. A specific situation consisting of a stationary heavy vehicle obstructing the entire lane was repeated in both experiments. The analyses focused on time-to-collision (TTC), defined as the remaining gap between the passing vehicle and the oncoming vehicle at the end of the passing manoeuvre. The results showed that the type of manoeuvre performed is significantly influenced by the traffic condition. Furthermore, the manoeuvre is influenced by the gap between two successive vehicles in the opposite lanes. Focusing on the end of the manoeuvre, it was found how a traffic increase leads to a significant reduction of the TTC values. Furthermore, the comparative analysis conducted between the data recorded following the combined approach and those obtained using exclusively the input data of the microsimulation software supports the usefulness of the proposed methodology for conducting road safety analyses, especially in complex traffic environments where drivers’ behaviour plays a decisive role.


Author(s):  
W. D. Cooper ◽  
C. S. Hartley ◽  
J. J. Hren

Interpretation of electron microscope images of crystalline lattice defects can be greatly aided by computer simulation of theoretical contrast from continuum models of such defects in thin foils. Several computer programs exist at the present time, but none are sufficiently general to permit their use as an aid in the identification of the range of defect types encountered in electron microscopy. This paper presents progress in the development of a more general computer program for this purpose which eliminates a number of restrictions contained in other programs. In particular, the program permits a variety of foil geometries and defect types to be simulated.The conventional approximation of non-interacting columns is employed for evaluation of the two-beam dynamical scattering equations by a piecewise solution of the Howie-Whelan equations.


2019 ◽  
Author(s):  
Samer Wakim ◽  
Maroun Nemer ◽  
B. Zeghondy ◽  
Boutros Ghannam ◽  
C. Bouallou

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