Publications in 2014

L. Barnard, D. Morgan
Ab initio molecular dynamics simulation of interstitial diffusion in Ni–Cr alloys and implications for radiation induced segregation
Journal of Materials Science, 449, 225-233, (2014) (Journal Pub)

L. Jamison, K. Sridharan, S. Shannon, I. Szlufarska
Temperature and Irradiating Species Dependence of Radiation Response of Nanocrystalline Silicon Carbide
Journal of Materials Science, 29, 2871-2880, (2014) (Journal Pub)

R. Jacobs, J. H. Booske, D. Morgan
Electron Emission Energy Barriers and Stability of Sc2O3 with adsorbed Ba and Ba-O
Journal of Physical Chemistry C, 118, 19742-19758, (2014) (Journal PubFinal Draft, arXiv)

K. Forghani, Y. Guan, M. Losurdo, G. Luo, D. Morgan, S. E. Babcock, A. S. Brown, L. J. Mawst, T. F. Kuech
GaAs1-y-zPyBiz, an alternative reduced band gap alloy system lattice-matched to GaAs
Applied Physics Letters, 105, 111101, (2014) (Journal Pub)

J. H. Lee, G. Luo, I. C. Tung, S. H. Chang, Z. Luo, M. Malshe, M. Gadre, A. Bhattacharya, S. M. Nakhmanson, J. A. Eastman, H. Hong, J. Jellinek, D. Morgan, D. D. Fong, J. W. Freeland
Dynamic layer rearrangement during growth of layered oxide films by molecular beam epitaxy
Nature Materials, 13, 879–883, (2014) (Journal PubFinal Draft)

M. Arjmand, J. Deng, N. Swaminathan, D. MorganI. Szlufarska
Effects of confinements on morphology of InxGa1xAs thin film grown on sub-micron patterned GaAs substrate: Elastoplastic phase field model
Journal of Applied Physics, 116, 114313, (2014) (Journal PubFinal Draft)

W. Xiong, H. Ke, R. Krishnamurthy, P. Wells, L. Barnard, G. R. Odette, D. Morgan
Thermodynamic models of low-temperature Mn–Ni–Si precipitation in reactor pressure vessel steels
MRS Communications, 4, 101-105, (2014) (Journal PubFinal DraftCALPHAD database)

H. O. Nam, A. Bengtson, K. Vörtler, S. Saha, R. Sakidja, D. Morgan
First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute
Journal of Nuclear Materials, 449, 148-157 (2014) (Journal Pub, Final Draft)

Z. X. Feng, Y. Yacoby, M. J. Gadre, Y. L. Lee, W. T. Hong, H. Zhou, M. D. Biegalski, H. M. Christen, S. B. Adler, D. Morgan, Y. Shao-Horn
Anomalous Interface and Surface Strontium Segregation in (La1-ySry)(2)CoO4 +/-delta/La1-xSrxCoO3-delta Heterostructured Thin Films
Journal of Physical Chemistry Letters, 5, 1027-1034 (2014) (Journal Pub, Final Draft)

R. Dervisoglu, D. S. Middlemiss, F. Blanc, L. A. Holmes, Y. L. Lee, D. Morgan, C. P. Grey
Joint experimental and computational O-17 solid state NMR study of Brownmillerite Ba2In2O5
Physical Chemistry Chemical Physics, 16, 2597-2606, (2014) (Journal Pub, Final Draft)

D. Lee, Y. L. Lee, A. Grimaud, W. T. Hong, M. D. Biegalski, D. Morgan, Y. Shao-Horn
Strontium influence on the oxygen electrocatalysis of La2-xSrxNiO4 +/-delta (0.0 <= x(Sr) <= 1.0) thin films
Journal of Materials Chemistry A, 2, 6480-6487, (2014) (Journal Pub, Final Draft)

A. B. Yankovich, B. Berkels, W. Dahmen, P. Binev, S. I. Sanchez, S. A. Bradley, A. Li, I. Szlufarska, P. Voyles
Picometer-precision analysis of STEM images of Pt nanocrystals
Nature Communications, 5, 4155, (2014) (Journal Pub)

A. Li, Y. Liu, I. Szlufarska
Effects of interfacial bonding on friction and wear at silica/silica interfaces
Tribology Letters, 56, 481-490, (2014) (Journal Pub)

Z. Shen, Y. Liu, H. Xu I. Szlufarska
Modeling the effect of dissolved hydrogen sulfide on Mg2+-water complex on dolomite {104} surface
Journal of Physical Chemistry C, 118, 15716-15722, (2014) (Journal Pub, arXiv)

T. Angsten, T. Mayeshiba, H. Wu, D. Morgan
Elemental vacancy diffusion database from high-throughput first-principles calculations for fcc and hcp structures
New Journal of Physics, 16, 015018, (2014) (Journal Pub, Final DraftData)

H. Jiang, C. Jiang, D. MorganI. Szlufarska
Accelerated atomistic simulation study on the stability and mobility of carbon tri-interstitial cluster in cubic SiC
Computational Materials Science, 89, 182-188, (2014) (Journal Pub, arXiv)

L. Jamison, M. -J. Zheng, S. Shannon, T. Allen, D. MorganI. Szlufarska
Experimental and ab initio study of enhanced resistance to amorphization of nanocrystalline silicon carbide under electron irradiation
Journal of Nuclear Materials, 445, 181-189, (2014) (Journal Pub)

J. Deng, D. MorganI. Szlufarska
Kinetic Monte Carlo simulations of effective diffusivities on grain boundary networks
Computational Materials Science, 93, 36-45, (2014) (Journal Pub, Final Draft)

K. Huang, I. Szlufarska
Green-Kubo relation for friction at liquid/solid interface
Physical Review E, 89, 032119, (2014) (Journal Pub, Final Draft, arXiv)

Z. Shen, H. Konishi, I. Szlufarska, P. E. Brown, H. Xu
Z-contrast imaging and ab initio study on “d” superstructure in sedimentary dolomite with “molar tooth” structure
American Mineralogist, 99, 1413-1419, (2014) (Journal Pub, arXiv)

H. Xu, H. Konishi, Z. Shen, P. Fu, I. Szlufarska
Crystal structures of laihunite and intermediate phases between laihunite-1M and fayalite: Z-contrast imaging and ab initio study
American Mineralogist, 99, 881-889, (2014) (Journal Pub, Final Draft)

A. Bengtson, H. Nam, S. Saha, R. Sakidja, D. Morgan
First-principles molecular dynamics modeling of the LiCl-KCl molten salt system
Computational Materials Science, 83, 362–370, (2014) (Journal Pub, Final Draft)

X. Wang, M. Khafizov, I. Szlufarska
Effect of surface strain on oxygen adsorption on Zr (0001) surface
Journal of Nuclear Materials, 445, 1-6, (2014) (Journal Pub, Final Draft)

C. Jiang, D. MorganI. Szlufarska
Structure and stability of small carbon interstitial clusters in 3C-SiC
Acta Materialia, 62, 162-172, (2014) (Journal Pub, Final Draft)

M. Mishra, C. Tangpatjaroen, I. Szlufarska
Plasticity controlled friction and wear of nanocrystalline SiC
Journal of American Ceramic Society, 97, 1194-1201, (2014) (Journal Pub, Final Draft)

C. Jiang, N. Swaminathan, D. MorganI. Szlufarska
Effect of grain boundary stresses on sink strength
Materials Research Letters, 2, 100-106, (2014) (Journal Pub, Final Draft)

D. Lee, Y. -L. Lee, A. Grimaud, W. T. Hong, M. D. Biegalski, D. Morgan, Y. Shao-Horn
Enhanced oxygen surface exchange kinetics and stability on epitaxial La0.8Sr0.2CoO3?? thin films by La0.8Sr0.2MnO3?? decoration
Journal of Physical Chemistry C, 118, 14326–14334, (2014) (Journal Pub)