The study of effectiveness of a high-performance crystal lattice parametric identification algorithm based on CUDA technology

Abstract

Abstract The study of substances with a crystal structure is a complex multi-step process. The key step in the crystalline substance analysis is the unit cell parameter estimation. The estimation of the crystal lattice unit cell parameters is a particular problem that involves the search of the crystal lattice model’s parameters according to the information which can be extracted from the substance. In these recent times, the most accurate information about the substance structure can be obtained with the electron microscope whose linear resolution is high enough to observe the atomic structure of a substance. The problem of parameter estimation in this case means the reconstruction of the three-dimensional crystal lattice with 2-dimentional images received by an electron microscope, and the estimation of the crystal lattice unit cell parameters by reconstructed lattice. In the previous papers the crystal lattice parametric identification algorithms based on solving the local optimization problem were presented. However, the analysis of a large crystal lattice database requires a lot of computations. In this paper, a high-performance crystal lattices parametric identification algorithm using the CUDA technology is proposed. The investigation of the algorithm effectiveness is carried out on the GPU GeForce NVidia GTX 1070 Ti. With data dimension more than 32 translations the acceleration is higher than 70. The algorithm runs more efficiently at the use of a large number of CUDA-blocks.