A new program package for investigation of medium-range order in computer-simulated solids
Source abstract
Abstract
The opportunity to gain detailed information on the representative sets of rings, and chains of atoms is of great importance in the analysis of medium-range order in the computer-simulated structures of solids. In this paper, a new program package (ANELLI) for ring and chain analysis of computer-simulated atomic structures is presented, and examples are given of its usage.
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Research context
OpenAlex topics: X-ray Diffraction in Crystallography · Material Properties and Failure Mechanisms · Machine Learning in Materials Science
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References (18)
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