D. Trinkle

activity

20032018

most citedAccurate and efficient algorithm for Bader charge integration

2.1k citations · 2.6k across the 6 of their papers we have counts for

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Showing 2018Show all

2 papers · 1 filter

cond-mat.mtrl-sci2018

Geometries of edge and mixed dislocations in bcc Fe from first principles calculations

Michael R. Fellinger, Anne Marie Z. Tan, Louis G. Hector +1

We use DFT to compute core structures of $a_{0} [100] (010)$ edge, $a_{0} [100] (011)$ edge, $a_{0} /2 [1 ˉ 1 ˉ 1] (1 1 ˉ 0)$ edge, and $a_{0} /2 [111] (1 1 ˉ 0)$ $7 1^{\circ}$ mixed disloc…

cond-mat.stat-mech2018

A variational principle for mass transport

Dallas R. Trinkle

A variation principle for mass transport in solids is derived that recasts transport coefficients as minima of local thermodynamic average quantities. The result is independent of…