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Data for Thermodynamics and Kinetics of Li at the Ag-Li Battery Interface

Grace Lu; Dallas R. Trinkle
DOI: 10.18126/gfpd-mm33
Year: 2026

Spin-space averaged Fe–C diffusion calculations from density functional theory

Wirth, Luke J.; Trinkle, Dallas R.
DOI: 10.18126/fttq-w045
Year: 2025

Molecular dynamics trajectories of ZnCl2 aqueous solutions from 1 m to 30 m

Cao, Chuntian; Zhang, Chunyi; Wu, Xifan; Carbone, Matthew R.; van Dam, Hubertus; Yoo, Shinjae; Lu, Deyu
DOI: 10.18126/8h2q-g409
Year: 2025

Dataset for "Diffusion Monte Carlo Study of the O2 Adsorption on a Single Layer Graphene"

Shin, Hyeondeok; Luo, Ye; Benali, Anouar; Kwon, Yongkyung
Organizations: MDF Open
DOI: 10.18126/s1l5-jnfm
Year: 2019

Vacancy Mediated and Interstitial Solute Transport in Zr from Density Functional Theory Calculations

Jain, Abhinav C. P.; Burr, Patrick A.; Trinkle, Dallas R.
DOI: 10.18126/M2R04K
Year: 2018

Hot-electron mediated ion diffusion in proton-irradiated magnesium oxide

Lee, Cheng-Wei; Schleife, André
DOI: 10.18126/M2C35K
Year: 2018

Surface Mass Diffusion on bcc(011) Planes; V, Nb, Ta and Mo

Ondrejcek, Michal; Rajappan, Mahesh; Swiech, Wacek
Organizations: CHiMaD
DOI: 10.18126/M2M932
Year: 2018

Solute transport database in Mg using ab initio and exact diffusion theory

Agarwal, Ravi; Trinkle, Dallas R.
DOI: 10.18126/M20G83
Year: 2017

Fluctuation spectroscopy of step edges on Pt(111); Crossover from bulk to surface diffusion

Ondrejcek, Michal; Swiech, Wacek; Rajappan, Mahesh; Yang, G.; Flynn, C. Peter
Organizations: CHiMaD
DOI: 10.18126/M2H018
Year: 2017