Constant-pressure nested sampling with atomistic dynamics
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The macroscopic properties of ferroelectric materials depend directly on the domain configuration and the structure of the domain boundaries. For this reason, their study is of great scientific and technological interest. Several models have been developed ...
We discuss the phase behaviour of spherical hard-core particles, with an attractive potential, as described by a hard-core Yukawa model. The ratio of the range of the attraction to the diameter of the particles is an important control parameter of the prob ...
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The selection and the optimal integration of the utility system is a major step of any energy integration study. It allows to determine an energy target based on the cost of the utilities rather than on energy. As a result, we obtain the final list of stre ...
