Direct calculation of Li-ion transport in the solid electrolyte interphase S Shi, P Lu, Z Liu, Y Qi, LG Hector Jr, H Li, SJ Harris Journal of the American Chemical Society 134 (37), 15476-15487, 2012 | 648 | 2012 |
Threefold increase in the Young’s modulus of graphite negative electrode during lithium intercalation Y Qi, H Guo, LG Hector, A Timmons Journal of The Electrochemical Society 157 (5), A558, 2010 | 506 | 2010 |
Adhesion and nonwetting-wetting transition in the Al/α-Al2O3 interface Q Zhang, T Çaǧın, A van Duin, WA Goddard III, Y Qi, LG Hector Jr Physical Review B 69 (4), 045423, 2004 | 463 | 2004 |
First-principles data for solid-solution strengthening of magnesium: From geometry and chemistry to properties JA Yasi, LG Hector Jr, DR Trinkle Acta Materialia 58 (17), 5704-5713, 2010 | 397 | 2010 |
Atomistic simulations of dislocation mobility in Al, Ni and Al/Mg alloys DL Olmsted, LG Hector, WA Curtin, RJ Clifton Modelling and Simulation in Materials Science and Engineering 13 (3), 371, 2005 | 338 | 2005 |
A predictive mechanism for dynamic strain ageing in aluminium–magnesium alloys WA Curtin, DL Olmsted, LG Hector Jr Nature materials 5 (11), 875-880, 2006 | 329 | 2006 |
Lithium concentration dependent elastic properties of battery electrode materials from first principles calculations Y Qi, LG Hector, C James, KJ Kim Journal of the Electrochemical Society 161 (11), F3010, 2014 | 319 | 2014 |
Quantitative prediction of solute strengthening in aluminium alloys GPM Leyson, WA Curtin, LG Hector Jr, CF Woodward Nature materials 9 (9), 750-755, 2010 | 316 | 2010 |
The effect of twin–twin interactions on the nucleation and propagation of {101 2} twinning in magnesium H El Kadiri, J Kapil, AL Oppedal, LG Hector Jr, SR Agnew, M Cherkaoui, ... Acta Materialia 61 (10), 3549-3563, 2013 | 301 | 2013 |
Defect Thermodynamics and Diffusion Mechanisms in Li2CO3 and Implications for the Solid Electrolyte Interphase in Li-Ion Batteries S Shi, Y Qi, H Li, LG Hector Jr The Journal of Physical Chemistry C 117 (17), 8579-8593, 2013 | 292 | 2013 |
Adhesion, atomic structure, and bonding at the Al (111)/α-Al2O3(0001) interface: A first principles study DJ Siegel, LG Hector Jr, JB Adams Physical Review B 65 (8), 085415, 2002 | 277 | 2002 |
Adhesion, stability, and bonding at metal/metal-carbide interfaces: Al/WC DJ Siegel, LG Hector Jr, JB Adams Surface Science 498 (3), 321-336, 2002 | 267 | 2002 |
Solute strengthening from first principles and application to aluminum alloys GPM Leyson, LG Hector Jr, WA Curtin Acta Materialia 60 (9), 3873-3884, 2012 | 243 | 2012 |
Prediction of dislocation cores in aluminum from density functional theory C Woodward, DR Trinkle, LG Hector Jr, DL Olmsted Physical review letters 100 (4), 045507, 2008 | 215 | 2008 |
Spatio-temporal characteristics of the Portevin–Le Châtelier effect in austenitic steel with twinning induced plasticity PD Zavattieri, V Savic, LG Hector Jr, JR Fekete, W Tong, Y Xuan International Journal of Plasticity 25 (12), 2298-2330, 2009 | 211 | 2009 |
Basal and prism dislocation cores in magnesium: comparison of first-principles and embedded-atom-potential methods predictions JA Yasi, T Nogaret, DR Trinkle, Y Qi, LG Hector, WA Curtin Modelling and Simulation in Materials Science and Engineering 17 (5), 055012, 2009 | 202 | 2009 |
Microstructural effects of AZ31 magnesium alloy on its tensile deformation and failure behaviors M Marya, LG Hector, R Verma, W Tong Materials science and engineering: A 418 (1-2), 341-356, 2006 | 200 | 2006 |
Anisotropy of the elastic properties of crystalline cellulose Iβ from first principles density functional theory with Van der Waals interactions FL Dri, LG Hector, RJ Moon, PD Zavattieri Cellulose 20, 2703-2718, 2013 | 186 | 2013 |
Energetics of the Li amide/Li imide hydrogen storage reaction JF Herbst, LG Hector Jr Physical Review B 72 (12), 125120, 2005 | 162 | 2005 |
Ab initio study of Al-ceramic interfacial adhesion DJ Siegel, LG Hector Jr, JB Adams Physical Review B 67 (9), 092105, 2003 | 160 | 2003 |