Comparison between Simulation and Experiment

Hp = AOOkT is somewhat arbitrarily chosen as the model is basically a primitive one. Changing the Hp value mainly affects the modulus level as well as the relaxation in the fast-mode region an increase 

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The methodology discussed previously can be applied to the study of colloidal suspensions where a number of different molecular forces and hydrodynamic effects come into play to determine the dynamics. As an illustration, we briefly describe one example of an MPC simulation of a colloidal suspension of claylike particles where comparisons between simulation and experiment have been made [42, 60]. Experiments were carried out on a suspension of AI2O3 particles. For this system electrostatic repulsive and van der Waals attractive forces are important, as are lubrication and contact forces. All of these forces were included in the simulations. A mapping of the MPC simulation parameters onto the space and time scales of the real system is given in Hecht et al. [42], The calculations were carried out with an imposed shear field. 

Flow pattern analysis - comparison between simulation and experiment... 

The constituent properties from Table 1.3 can, in turn, be used to simulate the stress-strain curves (Fig. 1.31). The agreement with measurements affirms the simulation capability whenever the constituent properties have been obtained from completely independent tests (Table 1.1). This has been done for the SiC/CAS material, but not yet for SiC/SiC. While the limited comparison between simulation and experiment is encouraging, an unresolved problem concerns the predictability of the saturation stress, crs. In most cases, ab initio determination cannot be expected, because the flaw parameters for the matrix (processing sensitive. Reliance must therefore be placed on experimental measurements, which are rationalized, post facto. Further research is needed to establish whether formalisms can be generated from the theoretical results which provide useful bounds on as. A related issue concerns the necessity for matrix crack density information. Again, additional insight is needed to establish meaningful bounds. Meanwhile, experimental methods that provide crack density information in an... 

In spite of the previous comment, comparison between simulations and experiments (not presented here ) is fully convincing as far as the purpose of such a model is to allow predicting the burst pressure of a vessel when the thickness of the liner and the stacking sequence are known. It means for every burst pressure and consequently for any use pressure, one or several stacking sequences may be found to ensure the strength of the structure. 

Figure 2.39 Tracking the interface mid-height position during via filling provides a comparison between simulation and experiment (Figure 2.38). The inset shows the simulated bottom-up feature filling, with contours colorized to reflect the local 0Sps coverage (source Ref. [12]).

Nonthermally activated reactions in condensed phases, such as photodissociation processes, have been a popular area of study via computer simulation for several reasons. In part these reasons are historical The first computer simulations of reactions in liquids were performed on Ij photodissociation in carbon tetrachloride and in dense rare gases. Almost concurrently with these early simulations, the first experiments on this process with picosecond resolution were being performed.Photodissociation makes for easy comparison between simulation and experiment, because the experimental zero of time, namely the excitation to an upper electronic state, can be easily duplicated in the simulation. As we shall sketch out in the first part of this section, the use of molecular dynamics in helping to understand and explain the I2... 

THE COMPATIBILIZATION OF POLYMER BLENDS WITH LINEAR COPOLYMERS COMPARISON BETWEEN SIMULATION AND EXPERIMENT... 

M. P. Fard, N. Ashgriz, J. Mostaghimi, D. M. Levesque, and S. Morrison Film thickness and velocity distribution in a splash-plate atomizer Comparison between simulations and experiments. ICLASS 2003. 

Comparison between simulations and experiments mold closing force against mold cavity height for different mold closing speeds of 0.2, 2 and 6 mm/s (Guiraud etal., 2010). 

Quantitative comparison between simulation and experiment enables to determine rate constants, redox potentials, and other characteristics of the investigated electrochemical system (see also Fig. 2). In this case, it is strongly advised not to rely on comparison of a single curve but rather to fit simulations to experimental data recorded under widely varying conditions [26]. 

This Section will proceed as follows. We begin with a short survey of earlier simulations of water and clathrate hydrates. These simulations concentrated on comparisons between simulation and experiment, and so provide the evidence that the simulated water, although not perfect, is water-like. This will be followed by some of the technical details of the simulations used in the rest of the chapter the technical details are included for completeness and are not essential for understanding the rest of the chapter. We will then present the results of recent simulations (including some new simulations) aimed at testing assumptions (1) and (2) of the cell theory. These simulations also provide useful information about how the parameterisation of the cell... 

An extensive comparison between simulation and experiment for the hydrates is more problematic. This is because the vast majority of experimental information relates to hydrate pressures, and phase changes (particularly solid/liquid phase changes) are inherently difficult to model accurately in simulations. Never-the-less, there are some comparisons that can be made. In particular, the translational frequency spectrum of a range of type I hydrates are well reproduced by the SPC model [35,36], and the experimental thermal expansion of ethylene oxide is found to lie between the simulated expansion of the completely occupied and completely unoccupied hydrate [37]. 

Fig. 1.3 Evolution of the collision complex of a Newtonian droplet comparison between simulation and experiment [8]. The figure is reproduced with permission...

Fig. 18.18 Left, numerical simulation of the flow field near the nozzle for an under-expanded jet (slice) Right, axial velocity component distribution at the centre-line of the jet, comparison between simulation and experiment, experimental data adapted from Heck [26]...

At this stage, the comparison between simulation and experiment is somewhat more restricted either one restricts attention to very short chains of simple enough polymers to allow the treatment of a model including detailed chemistry (Chapters 5, 8) or one has to focus on universal properties. Then a nontrivial comparison between simulation and experiment is... 

Hannachi, A. and Mitsoulis, E. (1993) Sheet coextmsion of polymer solutions and melts comparison between simulation and experiments. Adv. Polym. Technol., 12, 217-231. 

A comparison between simulation and experiment for ripening temperatures between 10 and 50 °C is illustrated in Fig. 8. It becomes clear that despite all simplifications that need to be introduced to maintain numeric stability, we could model the ageing of ZnO QDs for more than 12 h in good agreement with the experimental results [14, 64, 65]. Similar results were obtained when comparing the widths of the PSDs in terms of their standard deviations. Also bimodal distributions could be modelled that revealed the dissolution of the smaller particle size fraction with time. 

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