Computer technologies, application

The first section of the chapter deals with various theoretical models. The computational realization of these models will also be discussed in the context of modern computer technology. Applications are discussed in terms of complex physical structures (silicate crystals, defects, surfaces) where the problems are largely technical, and complex electronic structure (Mott-Hubbard insulators) where fundamental questions about electron interactions are relevant. 

The previous application — in accord with most MD studies — illustrates the urgent need to further push the limits of MD simulations set by todays computer technology in order to bridge time scale gaps between theory and either experiments or biochemical processes. The latter often involve conformational motions of proteins, which typically occur at the microsecond to millisecond range. Prominent examples for functionally relevant conformatiotial motions... 

Grill, A., Patel, V., and Meyerson, B. S., Applications of Diamond-Like Carbon in Computer Technology, in Applications of Diamond Films and Related Materials (Y. Tzeng, et al., eds.), Elsevier Science Publishers, pp. 683-689 (1991)... 

In the previous sections, we have seen how computer simulations have contributed to our understanding of the microscopic structure of liquid crystals. By applying periodic boundary conditions preferably at constant pressure, a bulk fluid can be simulated free from any surface interactions. However, the surface properties of liquid crystals are significant in technological applications such as electro-optic displays. Liquid crystals also show a number of interesting features at surfaces which are not seen in the bulk phase and are of fundamental interest. In this final section, we describe recent simulations designed to study the interfacial properties of liquid crystals at various types of interface. First, however, it is appropriate to introduce some necessary terminology. 

By the year 2000, advances in computer technology coupled with business and societal driving forces will indeed have a significant impact on applied polymer science R D. The focus will have shifted from implementation of new computer technology to extensive application in product R D and problem solving. 

For technological applications it is highly desirable to be able to design self-assembling systems to have particular physico-chemical properties under a given set of experimental conditions. Using computer simulation, it is possible to construct an atomistic model of tapes, ribbons and fibrils to study all of the interatomic interactions within the system in a quantitative manner. Figure 13 shows atomistic... 

The reviews collected in this book convey some of the themes recurrent in nano-colloid science self-assembly, constraction of supramolecular architecture, nanoconfmement and compartmentalization, measurement and control of interfacial forces, novel synthetic materials, and computer simulation. They also reveal the interaction of a spectrum of disciplines in which physics, chemistry, biology, and materials science intersect. Not only is the vast range of industrial and technological applications depicted, but it is also shown how this new way of thinking has generated exciting developments in fundamental science. Some of the chapters also skirt the frontiers, where there are still unanswered questions. 

The development and application of the CPHMD method demonstrate that simulations are capturing physical reality at increasing resolution. With the explosion in computing technologies, we are just at the beginning of a new era, where in silico experimentation becomes an indispensable complement to wet lab experiments in exploring unanswered questions related to a wide variety of biological and chemical processes. 

Recent advances in instrumentation range from novel (laser) sources and highly compact spectrometers over waveguide technology to sensitive detectors and detector arrays. This, in combination with the progress in electronics, computer technology and chemometrics, makes it possible to realise compact, robust vibrational spectroscopic sensor devices that are capable of reliable real-world operation. A point that also has to be taken into account, at least when aiming at commercialisation, is the price. Vibrational spectroscopic systems are usually more expensive than most other transducers. Hence, it depends very much on the application whether it makes sense to implement IR or Raman sensors or if less powerful but cheaper alternatives could be used. 

Pfilzner, M., A. Mack, N. Brehm, A. Leonard, and I. Romaschov (1999). Implementation and validation of a PDF transport algorithm with adaptive number of particles in industrially relevant flows. In Computational Technologies for Fluid/Thermal/Structural/Chemical Systems with Industrial Applications, vol. 397-1, pp. 93-104. ASME. 

Proper control of food irradiation applications should fulfill the requirements for both food technologies and radiation technologies. Application of well-established methods for measurement of absorbed radiation dose and the dose distribution helps to provide assurance that the radiation treatment is both effective and legally correct [133]. Computer tomography (CT) can provide detailed, high-resolution, and accurate dose maps for any arbitrary product and package configurations [134]. Such dose maps are an essential part of process validation. 

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