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Recent advances in theoretical methods combined with the advent of massively parallel supercomputers allow one to reliably simulate the properties of complex materials and device structures from first principles. We describe applications in two general areas: i) novel polymer composites for ultra-high-density capacitors, necessary for pulsed-power applications, such as electric rail guns, power conditioning,...
This work presents the new attitude towards the construction and manipulation of 3D cells complexes, stored in the augmented quad-edge (AQE) data structure. Each cell of a complex is constructed using the usual quad-edge structure, and the cells are then linked together by the dual edge that penetrates the face shared by two cells. We developed the new set of atomic operators that allow for a significant...
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