The graph-theoretic minimum energy path problem for ionic conduction
A new computational method was developed to analyze the ionic conduction mechanism in crystals through graph theory. The graph was organized into nodes, which represent the crystal structures modeled by ionic site occupation, and edges, which represent structure transitions via ionic jumps. We propo...
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2015-10-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4933052 |