Publications in 2017

D. Lee, R. Jacobs, Y. Jee, A. Seo, C. Sohn, A. Ievlev, O. Ovchinnikova, K. Huang, D. Morgan, H. N. Lee
Stretching epitaxial La0.6Sr0.4CoO3?? for fast oxygen reduction
Journal of Physical Chemistry, 121, 25651-25658, (2017) (Journal Pub, arXiv)

R. Jacobs, D. Morgan, J. Booske
Work function and surface stability of tungsten-based thermionic electron emission cathodes
APL Materials, 5, 116105, (2017) (Journal Pub, arXiv)

T. Mayeshiba, D. Morgan
Strain effects on oxygen vacancy formation energy in perovskites
Solid State Ionics, 311, 105-117, (2017) (Journal Pub, arXiv)

W. Gerberich, E. B. Tadmor, J. Kysar, J. A. Zimmerman, A. M. Minor, I. Szlufarska, J. Amodeo, B. Devincre, E. Hintsala, R. Ballarini
Case studies in future trends of computational and experimental nanomechanics
Journal of Vacuum Science and Technology A: Vacuum, Surfaces, and Films, 35, 060801, (2017) (Journal Pub)

X. Yin, Y. Shi, Y. Wei, Y. Joo, P. Gopalan, I. Szlufarska, X. Wang
Unit cell level thickness control of single-crystalline zinc oxide nanosheets enabled by electrical double-layer confinement
Langmuir, 33, 7708-7714, (2017) (Journal Pub, arXiv)

B. P. Eftink, A. Li, I. Szlufarska, N. A. Mara, I. M. Robertson
Deformation response of AgCu interfaces investigated by in situ and ex situ TEM and MD simulations
Acta Materialia, 138, 212-223, (2017) (Journal Pub)

H. Ko, I. Szlufarska, D. Morgan
Cs diffusion in SiC high-energy grain boundaries
Journal of Applied Physics, 122, 105901, (2017) (Journal Pub, arXiv)

G. B. Bokas, L. Zhao, D. Morgan, I. Szlufarska
Increased stability of CuZrAl metallic glasses prepared by physical vapor deposition
Journal of Alloys and Compounds, 728, 1110-1115, (2017) (Journal Pub, arXiv)

H. Ke, P. Wells, P. D. Edmondson, N. Almirall, L. Barnard, G. R. Odette, D. Morgan
Thermodynamic and kinetic modeling of Mn-Ni-Si precipitates in low-Cu reactor pressure vessel steels
Acta Materialia, 138, 10-26, (2017) (Journal Pub, arXiv, Cluster Dynamics Code)

S. Shim, B. Grocholski, Y. Ye, E. E. Alp, S. Xu, D. Morgan, Y. Meng, V. B. Prakapenka
Stability of ferrous-iron-rich bridgmanite under reducing midmantle conditions
Proceedings of the National Academy of Sciences, 114, 6468-6473, (2017) (Journal Pub)

S. Xu, G. Luo, R. Jacobs, S. Fang, M. K. Mahanthappa, R. J. Hamers, D. Morgan
Ab initio modeling of electrolyte molecule ethylene carbonate decomposition reaction on Li(Ni,Mn,Co)O2 cathode surface
ACS Applied Materials and Interfaces, 9, 20545-20553, (2017) (Journal Pub, arXiv)

H. Ko, A. Kaczmarowski, I. Szlufarska, D. Morgan
Optimization of self-interstitial clusters in 3C-SiC with genetic algorithm
Journal of Nuclear Materials, 492, 62-73, (2017) (Journal Pub, arXiv)

K. Tian, N. N. Gosvami, D. L. Goldsby, Y. Liu, I. Szlufarska, R. W. Carpick
Load and time dependence of interfacial chemical bond-induced friction at the nanoscale
Physical Review Letters, 118, 076103, (2017) (Journal Pub)

H. Wu, A. Lorenson, B. Anderson, L. Witteman, H. Wu, B. Meredig, D. Morgan
Robust FCC solute diffusion predictions from ab-initio machine learning methods
Computational Materials Science, 134, 160-165, (2017) (Journal Pub, arXiv, Figshare for solute diffusion predictions)

X. Wang, M. -J. Zheng, I. Szlufarska, D. Morgan
Continuum model for hydrogen pickup in zirconium alloys of LWR fuel cladding
Journal of Applied Physics, 121, 135101, (2017) (Journal Pub, arXiv)

M. Laskar, D. Jackson, S. Xu, R. Hamers, D. Morgan, T. Kuech
Atomic layer deposited MgO: A lower overpotential coating for Li[Ni0.5Mn0.3Co0.2]O2 cathode
ACS Applied Materials and Interfaces, 9, 11231-11239, (2017) (Journal Pub)

M. Mamivand, Y. Yang, J. Busby, D. Morgan
Integrated modeling of second phase precipitation in cold-worked 316 stainless steels under irradiation
Acta Materialia, 130, 94-110, (2017) (Journal Pub, arXiv)

S. Xu, J. -F. Lin, D. Morgan
Iron partitioning between ferropericlase and bridgmanite in the Earth’s lower mantle
Journal of Geophysical Research: Solid Earth, 122, 1074-1087, (2017) (Journal Pub, arXiv)

H. Jiang, X. Wang, I. Szlufarska
The multiple roles of small-angle tilt grain boundaries in annihilating radiation damage in SiC
Scientific Reports, 7, 42358, (2017) (Journal Pub)

S. Xu, R. Jacobs, C. Wolverton, T. Kuech, D. Morgan
Nanoscale voltage enhancement at cathode interfaces in Li-ion batteries
Chemistry of Materials, 29, 1218-1229, (2017) (Journal Pub, arXiv)

B. K. Nolleta, M. G. Hvastab, M. H. Anderson, D. Morgan, J. A. Schneider
Development of an Electrochemical Oxygen Sensor for Liquid Sodium Using a Yttria Stabilized Zirconia Electrolyte
Journal of the Electrochemical Society, 164, B10-B22, (2017) (Journal Pub)

G. Luo, S. Yang, G. R. Jenness, Z. Song, T. F. Kuech, D. Morgan
Understanding and reducing deleterious defects in the metastable alloy GaAsBi
NPG Asia Materials, 9, e345, (2017) (Journal Pub, arXiv, Open Access)

C. Tangpatjaroen, D. Grierson, S. Shannon, J. E. Jakes, I. Szlufarska
Size dependence of nanoscale wear of silicon carbide
ACS Applied Materials and Interfaces, 9, 1929-1940, (2017) (Journal Pub, arXiv)

Y. Yang, C. Ramirez, X. Wang, Z. Guo, A. Tokranov, R. Zhao, I. Szlufarska, J. Luo, B. W. Sheldon
Impact of carbon nanotube defects on fracture mechanisms in ceramic nanocomposites
Carbon, 115, 402-408, (2017) (Journal Pub)

M. Arjmand, J. H. Ke, I. Szlufarska
Control of surface induced phase separation in immiscible semiconductor alloy core-shell nanowires
Computational Materials Science, 130, 50-55, (2017) (Journal Pub, arXiv)

A. Li, I. Szlufarska
Morphology and mechanical properties of nanocrystalline Cu/Ag alloy
Journal of Materials Science, 52, 8, 4555-4567, (2017) (Journal Pub, arXiv)

C. Liu, H. Li, Y. Zhai, B. Tyburska-Puschel, P. Voyles, K. Srihdaran, D. MorganI. Szlufarska
Evolution of small defect clusters in ion-irradiated 3C-SiC: combined cluster dynamics modeling and experimental study
Acta Materilia, 125, 377-389, (2017) (Journal Pub, arXiv)

L. Zhao, P. Chakraborty, M. Tonks, I. Szlufarska
On the plastic driving force of grain boundary migration: A fully coupled phase field and crystal plasticity model
Journal of Computational Materials Science, 128, 320-330, (2017) (Journal Pub)

T. Mayeshiba, H. Wu, T. Angsten, A. Kaczmarowski, Z. Song, G. Jenness, W. Xie, D. Morgan
The MAterials Simulation Toolkit (MAST) for atomistic modeling of defects and diffusion
Computational Materials Science, 126, 90-102, (2017) (Journal Pub, arXiv)