Publications in 2015

K. Huang, S. Gast, D. Ma, N.L. Abbott, I. Szlufarska,
Comparison between Free and Immobilized Ion Effects on Hydrophobic Interactions: A Molecular Dynamics Study,
Journal of Physical Chemistry B, 119, 13152-13159, (2015) (Journal Pub, arXiv)

J. Deng, H. Ko, P. Demkowicz, D. MorganI. Szlufarska
Grain boundary diffusion of Ag through polycrystalline SiC in TRISO fuel particles
Journal of Nuclear Materials, 467, 332-340, (2015) (Journal Pub, Final Draft)

K. Huang, I. Szlufarska,
Effects of interfaces on the nearby Brownian motion
Nature Communications, 6, 8558, (2015) (Journal Pub, arXiv)

Z. Shen, I. Szlufarska, P. E. Brown, H. Xu
Investigation of the role of polysaccharide in the dolomite growth at low temperature by using atomistic simulations
Langmuir, 31, 10435-10442, (2015) (Journal Pub, arXiv)

R. Ballarini, W. Gerberich, E. Hintsala, M. Mishra, J. -F. Molinari, I. Szlufarska
Toward Demystifying Mohs Hardness Scale
Journal of the American Ceramic Society, 98, 2681-2688, (2015) (Journal Pub)

X. Wang, L. Jamison, K. Sridharan, D. Morgan, P. M. Voyles, I. Szlufarska,
Evidence for cascade overlap and grain boundary enhanced amorphization in silicon carbide irradiated with Kr ions
Acta Materialia, 99, 7-15, (2015) (Journal PubFinal Draft)

A. Li, I. Szlufarska
How grain size controls friction and wear in nanocrystalline metals?
Physical Review B, 92, 075418, (2015) (Journal PubFinal Draft)

S. Xu, R. Jacobs, H. Nguyen, S. Hao, M. Mahanthappa, C. Wolverton, D. Morgan
Lithium transport through lithium-ion battery cathode coatings
Journal of Materials Chemistry A, 3, 17248-17272, (2015) (Journal PubFinal Draft, arXiv)

Y. -L. Lee, M. J. Gadre, Y. Shao-Horn, D. Morgan,
Ab initio GGA+U study of oxygen evolution and oxygen reduction electrocatalysis on the (001) surfaces of lanthanum transition metal perovskites LaBO3 (B=Cr, Mn, Fe, Co and Ni)
Physical Chemistry and Chemical Physics, 17, 21643-21663, (2015) (Journal Pub)

Y. -L. Lee, D. Morgan
Ab initio defect energetics of perovskite (001) surfaces for solid oxide fuel cells: A comparative study of LaMnO3 versus SrTiO3 and LaAlO3
Physical Review B, 91, 195430, (2015) (Journal PubFinal Draft)

D. Lee, Y. -L Lee, W. T. Hong, M. D. Biegalski, D. Morgan, Y. Shao-Horn,
Oxygen surface exchange kinetics and stability of (La, Sr)2CoO4±?/La1? xSrxMO3?? (M= Co and Fe) hetero-interfaces at intermediate temperatures
Journal of Materials Chemistry A, 3, 2144-2157, (2015) (Journal PubFinal Draft)

C. Barr, L. Barnard, J. Nathaniel, K. Hattar, K. Unocic, I. SzlufarskaD. Morgan, M. Taheri
Grain boundary character dependence of radiation induced segregation in a model Ni-Cr alloy,
Journal of Materials Research, 30, 1290-1299, (2015) (Journal Pub)

L. Barnard, N. Cunningham, G. R. Odette, I. SzlufarskaD. Morgan,
Thermodynamic and kinetic modeling of oxide precipitation in nanostructured ferritic alloys,
Acta Materialia, 91, 340-354, (2015) (Journal Pub)

G. Luo, S. Yang, J. Li, M. Arjmand, I. Szlufarska, A. S. Brown, T. F. Kuech, D. Morgan
First-principles studies on molecular beam epitaxy growth of GaAs(1-x)Bix
Physical Review B, 92, 035415, (2015) (Journal PubFinal Draft)

M. -J. Zheng, D. MorganI. Szlufarska
Defect kinetics and resistance to amorphization in zirconium carbide
Journal of Nuclear Materials, 457, 343-351, (2015) (Journal PubFinal Draft)

T. Mayeshiba, D. Morgan,
Strain effects on oxygen migration in perovskites
Physical Chemistry Chemical Physics, 17, 2715-2721, (2015) (Journal PubCorrectionFinal Draft (corrected), Supporting Information (corrected), Data Link, arXiv)

S. Xu, S. H. Shim, D. Morgan,
Origin of Fe3+ in Fe-containing, Al-free Mantle Silicate Perovskite
Earth and Planetary Science Letters, 409, 319-328, (2015) (Journal PubFinal Draft, Corrections, arXiv)

A. Kaczmarowski, S. Yang, I. SzlufarskaD. Morgan
Genetic algorithm optimization of defect clusters in crystalline materials
Computational Materials Science, 98, 234-244, (2015) (Journal PubFinal Draft)