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Recent Publications

 


 2008

 

31

Title: Origin of the dependence of magnetoresistance on the composition of Co100-xFex electrodes in magnetic tunnel junctions
Authors: J. Joshua Yang, A.K. Bengtson, C.-X. Ji, D. Morgan,, Y.A. Chang
Source: Journal of Applied Physics, JR07-3205R (2008) (Accepted)

 

30

Title: Crystal structure effect of ferromagnetic electrode on tunneling magnetoresistance
Authors: J. Joshua Yang, A.K. Bengtson, C.-X. Ji, D. Morgan,, Y.A. Chang
Source: Acta Mater (2008) (Article in Press)

 

29

Title: Recent Advances in Single-Asperity Nanotribology
Authors: I. Szlufarska,, M. Chandross, R. Carpick
Source: J. Phys. D: Appl. Phys. 41 (2008) 123001 (Invited)

 

28

Title: Ab initio study of the composition dependence of the pressure-induced spin crossover in perovskite (Mg1 − x,Fex)SiO3
Authors: Bengtson, A.;  Persson, K; Morgan, D.
Source: Earth and Planetary Science Letters, 265, 3-4, 535-545 (2008)

 

 

2007

 

27

Title: Instability of Supported Platinum Nanoparticles in Low-Temperature Fuel Cells
Authors: Y. Shao-Horn, W.C. Sheng, S. Chen, P.J. Ferreira, E. Holby, D. Morgan,
Source: Topics in Catalysis, 46,  3-4, 285-305 (2007)  

 

26

Title: Transition of nc-SiC Powder Surface into Grain Boundaries during Sintering by Molecular Dynamics Simulation and Neutron Powder Diffraction
Authors:  M. Wojdyr, Y. Mo, E. Grzanka, S. Stelmakh, S. Gierlotka, Th. Proffen, T. W. Zerda,  B. Palosz, I. Szlufarska.  
Source: Zeitschrift fur Krystallographie,  Suppl. 26, 255 (2007)

 

25

Title: Multimilion-Atom Nanoindentation Simulation of Crystalline Sillicon Carbide: Orientation Dependence and Anisotropic Pileup
Authors: H.-P. Chen, R. K. Kalia, A. Nakano, P. Vashishta, I. Szlufarska
Source: J. Appl. Phys. 102, 063514 (2007)

 

24

Title: Ab initio study of the effects of thin CsI coatings on the work function of graphite cathodes
Authors:  V. Vlahos, J. H. Booske, D. Morgan
Source: Appl. Phys. Lett. 91, 144102 (2007)


23

Title: A molecular dynamics study of nanoindentation of amorphous silicon carbide
Authors:  I. Szlufarska, R. Kalia, A.Nakano, P. Vashishta
Source: J. Appl. Phys. Vol. 102, p. 023509 (2007)

 

22

Title: Simultaneous Enhancement of Toughness, Ductility, and Strength of Nanocrystalline Ceramics
Authors: Y. Mo, I. Szlufarska
Source: Appl. Phys. Lett. 90, 181926 (2007)
 

21

Title: Multimilion-Atom Nanoindentation Simulation of Crystalline Silicon Carbide: Orientation Dependence and Anisotropic Pileup
Authors: H.-P. Chen, R. K. Kalia, A. Nakano, P. Vashishta, I. Szlufarska
Source: Materials Research Society Proceedings 1021E (edited by R. F. Cook et al), Warrendale, PA, 2007, 1021-HH03-08,
 

20

Title: Molecular Dynamics Simulation of High Strain-Rate Deformation in Nanocrystalline Silicon Carbide
Authors: Y. Mo, I. Szlufarska (edited by R. F. Cook et al)
Source: Materials Research Society Proceedings 1021E  (edited by R. F. Cook et al), Warrendale, PA, 2007, 1021-HH04-02


2006

 

19
Title: Phase Diagram of the Mg Insertion into Chevrel Phases, MgXMo6T8 (T = S, Se) 1. Crystal Structure of the Sulfides
Authors: E. Levi, E. Lancry, A. Mitelman, D. Aurbach, G. Ceder, D. Morgan, O. Isnard
Source: Chemistry of Materials, 2006, 18, 5492.

 

18
Title: Data-mining-driven quantum mechanics for the prediction of structure
Authors: Ceder, G.; Morgan, D.; Fischer, C.; Tibbetts, K.; Curtarolo, S.
Source: MRS BULLETIN, v.31 (12): 981-985 DEC 2006   (Invited)

 

17

Title: Ab initio study of the composition dependence of the pressure-induced spin transition in the (Mg1-x,Fe-x)O system
Authors: Persson, K. ; Bengtson, A. ; Ceder, G. ; Morgan, D.
Source: Geophys. Res. Lett. , 2006, v.33, 16, L16306

 

16

Title: Predicting crystal structure by merging data mining with quantum mechanics 
Authors: Fischer, C. C. ; Tibbetts, K. J. ; Morgan, D. ; Ceder, G.
Source: Nature Materials , 2006, v.5, 8, 641-646

 

15

Title: Ultra-fast evaluation of protein energies directly from sequence
Authors: Grigoryan, G. ; Zhou, F. ; Lustig, S. R. ; Ceder, G. ; Morgan, D. ; Keating, A. E.
Source: Plos Computational Biology , 2006, v.2, 6, 551-563

 

14

Title: Phase stability of nickel hydroxides and oxyhydroxides
Authors: Van der Ven, A. ; Morgan, D. ; Meng, Y. S. ; Cederc, G.
Source: J. Electrochem. Soc. , 2006, v.153, 2, A210-A215,

 

13

Title: Atomistic simulations of nanoindentation
Authors: Szlufarska, I.
Source: Materials Today , 2006, v.9, 5, 42-50 (Invited)
 

12

Title: Spin transitions in the FexMn1-xS2 system
Authors: Persson, K. ; Ceder, G. ; Morgan, D.
Source: Phys. Rev. B , 2006, v.73, 11, 115201
 

11

Title: Phase stability of Nickel Hydroxides and Oxyhydroxides
Authors: A. Van der Ven, D. Morgan, Y. S. Meng, and G. Ceder
Source: J. Electrochem. Soc., 2006, v.153, 2, pp. A210-A215

 

10
Title: Coarsening of Pt Nanoparticles in Proton Exchange Membrane Fuel Cells Upon Potential Cycling
Authors: Y. Shao-Horn, P.J. Ferreira, G.J. la O', D. Morgan, H. Gasteiger, R. Makhariac
Source: Electrochemical Transactions 1, 2006, 185-195


2005

 

9

Title: Atomistic mechanisms of amorphization during nanoindentation of SiC: a molecular dynamics study
Authors: Szlufarska, I. ; Kalia, R. K. ; Nakano, A. ; Vashishta, P.
Source: Physical Review B (Condensed Matter and Materials Physics) , 2005, v.71, 17, 174113-1

 

8
Title: Coarse-graining protein energetics in sequence variables
Authors: Zhou, F. ; Grigoryan, G. ; Lustig, S. R. ; Keating, A. E. ; Ceder, G. ; Morgan, D.
Source:

Phys. Rev. Lett. , 2005, 95, v.14, 148103

 

7
Title: Accuracy of Ab-Initio Methods in Predicting the Crystal Structures of Metals: Review of 80 Binary Alloys
Authors: S. Curtarolo, D. Morgan, G. Ceder
Source: CALPHAD, 2005, v.29, 163  (Best paper award for CALPHAD journal in 2005)

 

6
Title: Thermodynamics of spinel LixTiO2 from first principles
Authors: Wagemaker, M. ; Van Der Ven, A. ; Morgan, D. ; Ceder, G. ; Mulder, F. M. ; Kearley, G. J.
Source: Chem. Phys. , 2005, v.317, 2-3, 130-136


5

Title: A crossover in the mechanical response of nanocrystalline ceramics
Authors: Szlufarska, I. ; Nakano, A. ; Vashishta, P.
Source: Science , 2005, v.309, 5736, 911-914,

 

4

Title: Atomistic processes during nanoindentation of amorphous silicon carbide
Authors: Szlufarska, I. ; Kalia, R. K. ; Nakano, A. ; Vashishta, P.
Source: Appl. Phys. Lett. , 2005, v.86, 2, 021915


3

Title:

Instability of Pt/C electrocatalysts in proton exchange membrane fuel cells - A mechanistic investigation

Authors:

Ferreira, P. J. ; la O', G. J. ; Shao-Horn, Y. ; Morgan, D. ; Makharia, R. ; Kocha, S. ; Gasteiger, H. A.

Source:

J. Electrochem. Soc. , 2005, v.152, 11, A2256-A2271

 

2
Title: Data Mining in Materials Development
Authors: D. Morgan, G. Ceder
Source: The Handbook of Materials Modeling, Vol. 1, Springer, pp. 395-421 (2005)

 

1
Title: High-Throughput and Data Mining with Ab-Initio Methods
Authors: D. Morgan, S. Curtarolo, G. Ceder
Source: Meas. Sci. & Tech. 16, 296 (2005). 1
 

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