Publications - CMS Group

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Refereed Journal Publications

# Author Title Source Text
1 J.B. Adams, W.N.G. Hitchon and L.M. Holzman "Kinetics of Growth Coalescence of In/GaAs" J. Vac. Sci. Tech. A. 6 (3)  2029-2033 (1988)  
2 J.B. Adams and W.N.G. Hitchon "Solution of Master and Fokker-Planck Equations by Propagator Methods, Applied to Au/NaCl Thin Film Nucleation" J. Comp. Phys 76 159-175 (1988)  
3 J.B. Adams and W.G. Wolfer "On the Diffusion Mechanisms of Helium in Nickel" J. Nuc. Mat. 158 25-29 (1988)  
4 W.G. Wolfer, C.D. Van Siclen, S.M. Foiles, J.B. Adams "Helium Solubility in Solid and Liquid Nickel" Acta. Met. 37 579-585 (1989)  
5 J.B. Adams, S.M. Foiles, W.G. Wolfer "Self- and Impurity Diffusion of FCC Metals Using the Five-Frequency Model and the Embedded Atom Method" J. Mater. Res. 4(1) 102-112 (1989)  
6 W.N.G. Hitchon, D.J. Koch and J.B. Adams "An Efficient Scheme for Convection-Dominated Transport" J. Comp. Phys. 83 79-95 (1989)  
7 J.B. Adams and W.G. Wolfer "Calculated Formation Energies of Helium-Void Complexes in Nickel" J. Nuc. Mater. 166 235-242 (1989)  
8 S.M. Foiles and J.B. Adams "Thermodynamic Properties of FCC Transition Metals, as Calculated with the Embedded Atom Method" Phys. Rev. B40 5909-5915 (1989)  
9 J.B. Adams, W.G. Wolfer, and S.M. Foiles "Elastic Properties of Grain Boundaries in Copper, and Their Relationship to Bulk Elastic Constants" Phys. Rev. B14 9479-9484 (1989)  
10 B.H. Rabin, R.N. Wright, J.E. Flinn, and J.B. Adams "TEM observations on the microstructure of an atomized high-purity aluminium powder" J. Mat. Sci. Lett 8 1408 (1989)  
11 J.B. Adams and S.M. Foiles "Development of an Embedded Atom Potential for a BCC Metal:  Vanadium" Phys. Rev. B41 3316-3328 (1990)  
12 M. Nomura, S.Y. Lee and J.B. Adams "Vacancy Diffusion Along Twist Grain Boundaries in Copper" J. Mater. Res. 6 1-4 (1991)  
13 L.M. Holzman, J.B. Adams, S.M. Foiles and W.N.G. Hitchon "Properties of Liquid-Vapor Interfaces calculated using the Embedded Atom Method" J. Mater. Res. 6 298-302 (1991)  
14 C.L. Liu, J. Cohen, J.B. Adams and A.F. Voter "EAM Study of Surface Self-Diffusion of Single Adatoms of FCC Metals" Surf. Sci. 253 334-344 (1991)  
15 C.L. Liu and J.B. Adams "Diffusion Mechanisms on Ni Surfaces" Surf. Sci. 265  262-272 (1992)  
16 C.L. Liu and J.B. Adams "Structure and Diffusion of Clusters on Ni Surfaces" Surf. Sci. 268 73-86 (1992).  erratta Surf. Sci. Lett 289 L641 (1993)  
17 A.M. Guellil and J.B. Adams "The Application of the Analytic Embedded Atom Method to BCC Metals and Alloys" J. Mater. Res. 7 639-652 (1992)  
18 A. Sachdev, R.I Masel and J.B. Adams Embedded Atom Calculations of the Equilibrium Shape of Small Platinum Clusters" J. Catalysis 136 (1992) 320-333  
19 A. Sachdev, R.I. Masel, and J.B. Adams "An Investigation of the Shape of Small Platinum Clusters using the Embedded Atom Method" Cat. Let. 15, (1992) 57-64  
20 M. Nomura and J.B. Adams "Self-Diffusion Along Twist Grain Boundaries in Copper, Part II" J. Mater. Res. 7 (1992) 3202-3212  
21 S. Yang, D.A. Drabold, J.B. Adams, and A. Sachdev "First-Principles Local Orbital Study of Al Clusters" Phys. Rev. B47, (1993) 1567-1576  
22 D.A. Drabold and J.B. Adams "First-Principles Study of Polymer-Metal Adhesion" J. Adhesion 42 (1993) 55-63  
23 J.B. Adams and W.G. Wolfer "Void Formation in Rapidly-Solidified Austenitic Steels"  Acta. Met. 41, (1993) 2625-2632  
24 Q. Ma, C.L. Liu, R. Baluffi, J.B. Adams and S.M. Foiles "Effect of Grain Boundary Structure on Diffusion Along [001] Tilt Boundaries in Au/Ag Systems II:  Modelling and Interpretation" Acta. Met. 41 (1993) 143-151  
25 S. Yang, D.A. Drabold, and J.B. Adams "First Principles Study of Diamond (100) Surface Reconstructions" Phys. Rev. B 48, (1993) 5261-5264  
26 C.L. Liu and J.B. Adams "Step and Kink Formation Energies on FCC Metal Surfaces" Surf. Sci. 294 (1993) 211-218  
27 C.L. Liu and J.B. Adams "Diffusion Behavior of Single Adatoms Near and at Steps on Ni Surfaces" Surf. Sci. 294 (1993) 197-210  
28 M. Nomura and J.B. Adams "Local Mechanical Properties of Grain Boundaries" J. Interface Sci. 2 (1994) 137-146  
29 F. Ercolessi and J.B. Adams "Developing Empirical Models from Ab Initio Calculations - Application to Al" Europhysics Letters 26 (1994) 583  
30 K. Killian, D. Drabold, and J.B. Adams "First Principles Calculations of the Structure of amorphous Si and Si:H Surfaces" Phys. Rev. B48 (1993) 17393  
31 W. Xu and J.B. Adams "Fourth Moment Approximation to Tight Binding - Application to BCC Transition Metals" Surf. Sci. 301 (1994) 371-385  
32 T. Brown and J.B. Adams "Structure and Thermodynamics of Amorphous Cu" J. Non-Crystalline Solids 180 (1995) 275-284  
33 J.B. Adams, A. Rockett, J. Kieffer, W. Xu, M. Nomura, K.A. Killian, D.F. Richards, and R. Ramprasad "Atomic Level Computer Simulation"  J. Nuc. Mat. 216 (1994) 265-274, Ed. I. Robertson  
34 N.A.W. Holzwarth, J.A. Chervenak, C.J. Kimmer, Y. Zeng, W. Xu, and J.B. Adams "Multilayer-relaxation geometry and electronic structure of a W(111) surface" Phys. Rev. B 48 (1993) 12136-12145  
35 J.B. Adams "Improving the Education of Computational Materials Scientists and Physicists" Comp. Mat. Sci. 2 (1994) 177-179  
36 W. Xu and J.B. Adams "Structure of Seven W Surfaces" Surf. Sci. 319 (1994) 58-67  
37 W. Xu and J.B. Adams "W single adatom diffusion on W surfaces" Surf. Sci. 319 (1994) 45-57  
38 C.L. Liu, J.B. Adams, and R.W. Siegel " Nanostructured Materials 4 (1994) 265-274  
39 W. Xu and J.B. Adams "W Adatatom Adataom Interactions on the W(110) Surface" Surf. Sci 339 (1995) 241-246  
40 W. Xu and J.B. Adams "W Dimer Diffusion on W(110) and (211) Surfaces" Surf. Sci 339 (1995) 247-257  
41 M. Nomura and J.B. Adams "Interstitial Diffusion Along Twist Grain Boundaries in Copper " J. Mater. Res. 10 (1995) 2916  
42 A.M. Raputhi, X.Q. Wang, F. Ercolessi and J.B. Adams "Temperature Dependence of Surface Phonons on Al (110)" PRB52 (1995) R5554  
43 W. Schneider, K. Hass, R. Ramprasad, and J.B. Adams "Cluster Models of Cu Binding and CO and NO Adsorption in Cu-Exchanged Zeolites" J. Phys. Chem. 100 (1996) 6032-6046
44 J.B. Adams and J. Lewis "Teaching Modules on Materials for High School Science Teachers" J. Materials Education 18 (1996) 115  
45 J.B. Adams "Materials Mentor: Multimedia Tutorials for Materials Engineering" J. Materials Education 18 (1996) 111  
46 R. Ramprasad, K.M. Glassford, J.B. Adams, and R.I. Masel "CO on Pd(110): Determination of the Optimal Adsorption Site" Surf. Sci. 360 (1996) 31-42  
47 W. Xu, J.B. Adams and T.L. Einstein "Oscillatory Interaction of Steps on W(110)" Phys. Rev. B. 54 (1996) 2910-2916  
48 B. Tuttle and J.B. Adams "Structure of a-Si:H from Harris functional Molecular Dynamics" PRB 53 (1996) 16265
49 X.Y. Liu, J.B. Adams, F. Ercolessi and J.A. Moriarty "EAM Potential for magnesium from quantum mechanical forces" Modeling Simul. Mater. Sci. Eng. 4 (1996) 293-303  
50 B. Tuttle and J.B. Adams "Structure, dissociation and vibrational signatures of hydrogen clusters in amorphous silicon” PRB 56 (1997) 4565-4572
51 T.J. Lenosky, J.D. Kress, I. Kwon, A.F. Voter, B. Edwards, D.F. Richards, S. Yang and J.B. Adams "Highly-optimized tight-binding model of silicon" PRB 55 (1997) 1528
52 X.Y. Liu, P.P. Ohotnicky, J.B. Adams, C.L. Rohrer, and R.W. Hyland Jr. "Anisotropic Surface Segregation in Al-Mg  Alloys" Surf. Sci. 373 (1997) 357-370  
53 S.H. Yang, D.A. Drabold, , P.J. Ordejon, K. Glassford, and J.B. Adams "DFT Studies of Small Platinum Clusters" J. Physics: Condes. Matter 9 (1997) L39-L45
54 R. Ramprasad, W.F. Schneider, K.C. Hass and J.B. Adams "A Theoretical study of CO and NO vibrational frequencies in Cu-exchanged zeolites" J. Phys. Chem. B 101 (1997) 1940-1949
55 R. Ramprasad, K.C. Hass, W.F. Schneider, J.B. Adams "Cu-dinitrosyl species in zeolites:  a density functional molecular cluster study" J. Phys. Chem. 101 (1997) 6903-6913
56 W. F. Schneider, K.C. Hass, R. Ramprasad and J.B. Adams "First Principles Analysis of Elementary Steps in the Catalytic Decomposition of NO by Cu-exchanged Zeolites" J. Physical Chemistry 101 (1997) 4353-4357
57 J. J. Hinarejos, G. R. Castro, P. Segovia, J. Alvarez, E. G. Michel, R. Miranda, A. Rodriguez-Marco, D. Sanchez-Portal, E. Artacho, F. Yndurain, N. Cabrera, S. Yang, P. Ordejon and J. B. Adams "Surface electronic structure of metastable FeSi(CsCl)(111) on epitaxially grown on Si(111)" PRB55 (1997) R16065-16068
58 K.A. Kilian and J.B. Adams “First-Principles Simulations of a-Si:H Surfaces” Modelling and Simulation of Materials Science and Engineering 5 (1997) 549-562  
59 X. Y. Liu and J.B. Adams “Grain Boundary Segregation in Al-10%Mg alloys at hot working temperatures” Acta Mater. 46 (1998) 3467-3476
60 K. Lee, J.B. Adams and K. Schweizer “Novel Coarse-Graining Approach for Large Scale Molecular Dynamics Simulations of Linear Polymers” submitted to J. Chem. Phys  
61 X.Y. Liu, W. Xu, S.M. Foiles and J.B. Adams “Atomistic studies of segregation and diffusion in Al-Cu grain boundaries” Applied Physics Letters 72 (1998) 1578-1580
62 D.X. Liao, K. M. Glassford, R. Ramprasad and J.B. Adams “DFT-LDA Study of NO Adsorption on Rh (110) Surface” Surf. Sci. 415 (1998) 11-19
63 W. F. Schneider, K.C. Hass, R. Ramprasad and J.B. Adams “Density Functional Study of Transformations of Nitrogen Oxides Catalyzed by Cu-Exchanged Zeolites”  J. Phys. Chem.  102 (1998) 3692-3705
64 B. Tuttle and J.B. Adams "Energetics of Hydrogen in Amorphous Si: an ab initio Study" PRB 57 (1998) 12859-12868
65 B. Tuttle, C.G. Van de Walle, and J.B. Adams "Exchange of deeply trapped and interstitial hydrogen in silicon" PRB 59 (1999), 5493
66 J.M. Finder, D.F. Richards, and J.B. Adams "A molecular dynamics study of defect production due to low-energy collisions" Model. Sim. Mat. Sci. Eng 7 (1999) 495-502  
67 J.B. Adams, Z. Wang and Y. Li "Predicting the Microstructure of Cu Thin Films" Thin Solid Films, 365, (2000) 201-210  
68 B.R. Goodman, W.F. Schneider, K.C. Hass, and J.B. Adams "Theoretical Analysis of Oxygen-bridged Cu pairs in Cu-exchanged Zeolites" Catalysis Letters 56 (4), (1998)  183-188  
69 J.B. Adams and S.J. Krause "Materials Mentor Quicknotes" accepted in J. of Materials Education 21, (2000) 1-2  
70 B.R. Goodman, K.C. Hass, W.F. Schneider, and J.B. Adams "Cluster Model Studies of Oxygen-bridged Cu pairs in Cu-ZSM-5 Catalysts" J. Phys. Chem. B, 103(47), (1999) 10452-10460  
71 Z. Wang, Y. Li and J. B. Adams "Kinetic Lattice Monte Carlo Simulation of Facet Growth Rate" Surface Science, 450/1-2, (2000) 51-63
72 D. Sengupta, W.F. Schneider, K.C. Hass and J.B. Adams "CO oxidation by Cu-ZSM-5: A Density Functional Study" Catalysis Letters 1999, 61(3,4), 179-186  
73 D. Sengupta, J.B. Adams, W.F. Schneider and K.C. Hass Theoretical Analysis of  N2O to N2 Conversion During the Catalytic Decomposition of NO by Cu-Zeolites Catalysis Letters 68 (2000) 85-93  
74 J.B. Adams "Bonding: Energy Models" Encyclopedia of Materials Science and Technology, Elsevier Press, vol. 1 (2001) 763-767  
75 A. Landa, P. Wynblatt, D.J. Siegel, J.B. Adams, O.N. Mryasov, and X.Y. Liu "Development of Glue-type Potentials for the Al-Pb System:  Phase Diagram Calculation" Acta Materalia 48, (2000), 1753-1761
76 A.A. Korkin, J.V. Cole, D.Sengupta, and J.B. Adams "On Mechanism of Silicon Nitride CVD from Dichlorosilane and Ammonia" J. Electrochemical Society 146: (11)4203-4212 Nov. 1999  
77 Donald J. Siegel, L. G. Hector Jr. and J.B. Adams Adhesion, stability and bonding at metal/metal-carbide interfaces: Al/WC Surface Science 498 (2002) 321-336
78 Donald J. Siegel, L. G. Hector Jr. and J.B. Adams First-principles study of metal-carbide/nitride adhesion: Al/Vc vs. Al/VN Acta Materialia 50 (2002) 619-631
79 Donald J. Siegel, L. G. Hector Jr. and J.B. Adams Adhesion, atomic structure, and bonding at the Al(111)/a-Al2O3(0001) interface: A first principles study Phy. Rev B, Vol 65, 085415
80 Donald J. Siegel, L. G. Hector Jr. and J.B. Adams Ab initio study of Al-ceramic interfacial adhesion Phy. Rev. B., Vol 67 , 092105 (2003
81 Youhong Li, Donald J. Siegel,  J.B. Adams and Xiang-Yang Liu Embedded-atom-method tantalum potential developed by the force-matching method Phy. Rev. B., Vol 67, 125101 (2003)
82 L.G. Hector Jr., S.M. Opalka, G.A. Nitowski, L. Wieserman, D.J. Siegel, H.Yu and J.B. Adams Investigation of vinyl phosphonic acid/hydroxylated a-Al2O3(0001) reaction enthalpies Surface Science 494 (2001) 1-20
83 B.R. Goodman, K.C. Hass, W.F. Schneider, and J.B. Adams Statistical Analysis of Al Distributions and Metal Ion Pairing Probabilities in Zeolites Catalysis Letters 68 (2000) 85-93  
84 J.B. Adams, L.G. Hector, D.J. Siegel, H. Yu, and J. Zhong Adhesion, Lubrication, and Wear on the Atomic Scale Surface. Interface Anal. 31 (2001) 619-626.  
85 J. Zhang and J.B. Adams FACET: A novel model of simulation and visualization of polycrystalline thin film growth Mod. Sim. Mat. Sci. Eng. 10(4) (2002) 381-401  
86 H. Yu, J.B. Adams, L.G. Hector Molecular dynamics simulations of high-speed nanoindentation Modelling and Simulation of Mat. Sci.Eng 10 (2002) 319-329  
87 N. Ooi,  J. B. Adams, U. Singisetti

Reaction enthalpies as selection criteria for tribological coatings

 Phys. stat. sol. (b) 239, No. 1, (2003) 44-47
88 Y. Jiang and J. B. Adams First-Principles Study of Benzotriazole Adsorption onto Clean Cu(111) Surface Science, 529 (2003) 428
 		  
89 Y. Jiang, J. B. Adams and D. Sun Benzotriazole Adsorption on Cu2O(111) Surfaces: A First-Principles Study J. Phys. Chem. B 2004, 108, 12851-12857
 
90 Y. Jiang, J.B. Adams, M. van Schilfgaarde Density-functional calculation of CeO2 surfaces and prediction of effects of oxygen partial pressure and temperature on stabilities JOURNAL OF CHEMICAL PHYSICS 123 (6) 064701 2005
91 Y. Jiang, J.B. Adams, M. van Schilfgaarde, R. Sharma, P.A. Crozier Theoretical study of environmental dependence of oxygen vacancy formation in
CeO2		 APPLIED PHYSICS LETTERS 87 (14) 141917 2005
92 N. Ooi, V. Rajan, J. Gottlieb, Y. Catherine, J. B. Adams

Bulk properties of hexagonal boron nitride

Modelling and Simulation in Materials Science and Engineering 14 (2006) Pages 515 – 535

 
93

N. Ooi, A. Rairkar, L. Lindsley, J. B. Adams

Electronic structure and bonding in hexagonal boron nitride

Journal of Physics: Condensed Matter Physics 18 (2006) Pages 97 – 115

  
94

N. Ooi, A. Rairkar, J. B. Adams

Density functional study of graphite bulk and surface properties

Carbon 44, 2 (2006) Pages 231 – 242

  
95

Y. Qi, L. G. Hector Jr., N. Ooi, J. B. Adams

A first principles study of adhesion and adhesive transfer at Al(111)/graphite(0001)

Surface Science 581, 2 – 3 (2005) Pages 155 – 168

  
96

N. Ooi, J. B. Adams

Ab initio studies of the cubic boron nitride (110) surface

Surface Science 574, 2 – 3 (2005) Pages 269 – 286

 
97

N. Ooi, J. B. Adams

Density functional study of the aluminum – graphite interface

Journal of Computational Electronics 3, 1 (2004) Pages 51 – 56

 
98

N. Ooi, J. B. Adams, U. Singisetti

Reaction enthalpies as selection criteria for tribological coatings

Physica Status Solidi B 239, 1 (2003) Pages 44 – 47

 
100 N. Ooi

Theoretical study of aluminum – ceramic interfaces

ProQuest/UMI, 2006, USA

  


 

Refereed Conference Proceedings

1)  J.B. Adams, W.G. Wolfer, and S.M. Foiles,"Self-Diffusion and Impurity Diffusion of FCC Metals Using the Embedded Atom Method," Beyond Pair Potentials, ed. V. Vitek and D.J. Srolovitz, Plenum Press 1989, P.419.   

2)    J.B. Adams, W.G. Wolfer, and S.M. Foiles, "Elastic Properties of Grain Boundaries in Copper", Materials Research Society Proceedings Spring 1989, Vol 153, Interfaces Between Polymers, Metals, and Ceramics, ed. B. M. DeKoven, A.J. Gellman, R. Rosenberg, MRS Society, Pittsburg, PA, P. 369-374.

3)    J.B. Adams, W.G. Wolfer, S.M. Foiles, C.M. Rohlfing and C.D. Van Siclen, "Theoretical Studies of He in Metals," Proceedings of NATO Advanced Research Workshop on "Fundamental Aspects of Inert Gases in Solids" Bonas, France (1991) S.E. Donnelly, J.H. Evans (Eds.), published by Plenum Press, P. 1-16.

4)    F. Ercolessi and J.B. Adams, "Developing Empirical Models from Ab- Initio Calculations," accepted in proceedings of Fall '92 MRS meeting.

5)    R. Ramprasad, D.A. Drabold and J.B. Adams, "Density Functional Study of Chemisorption of Oxygen on Al(111)," Proceedings of Fall 1993 MRS Meeting, Vol 317, Mechanisms of Thin Film Evolution.

6)    R. Ramprasad, K. Glassford, and J.B. Adams, "Ab Initio Study of Pd Carbonyls and CO/Pd (110)," Proceedings of Spring '94 MRS Proceedings, Vol. 344, Materials and Processes for Environmental Protection.

7)    D.F. Richards and J.B. Adams, "Developing Reliable Empirical Potentials from Quantum Mechanics," Proccedings of 1995 High Performance Computing Multiconference, Phoenix, AZ, Editor Adrian Tentner, 218-221 (1995).

8)    K. Lee and J.B. Adams, "Segmental Dynamics Simulation of the Deformation for Polymer Adhesive between Surfaces,"  Proceedings of the 19th Annual Meeting of the Adhesion Society (1996) 105-108.

9)    Z. Wang, Y. Li, and J.B. Adams, "Modelling Facet Growth of Cu Thin Films," Proceedings of Second International Conference on Modelling and Simulation of Microsystems, San Juan, Puerto Rico, April 1999, P. 455-458.

10)  D. Richards, J.B. Adams and L. Borucki, "Modelling Nucleation and Growth of Voids During Electromigration," Proceedings of Second International Conference on Modelling and Simulation of Microsystems, San Juan, Puerto Rico, April 1999, P. 471-474.

11)  Z. Wang, Y. Li and J. B. Adams, "Atomistic Modeling of Cu Film Growth", Proceedings of The Fifth International Symposium on Process Physics and Modeling in Semiconductor Technology, Electrochemical Society, Seattle, May 1999.

12)  L.G. Hector, D.J. Siegel, and J.B. Adams, "Atomistic Simulation of Adhesion and Adhesive Transfer at Metal/Metal-Oxide Interfaces", accepted in Integration of Material, Process and Product Design: A Conference Dedicated to the 70th  Birthday of Owen Richmond, Seven Springs, PA., Oct. 18-19, 1998, p39-46.    

 



Books Edited:

“Materials Engineering for Mechanical Engineers,” James B. Adams (editor) and Carl Altstetter (co-editor), submitted for final review with Addison Wesley Longman, publication expected in fall ‘00.

Book Chapters (for the book listed above):

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Ch 1. Overview of Materials Engineering

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Ch. 2  Atomic Bonding

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Ch. 3  Crystal Structures, Crystal Defects, and Glasses

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Ch. 5  Diffusion

 

Educational Handouts

Materials Mentor Quicknotes, co-authored with Stephen Krause, and distributed by ASM.  This is a simple 4-page study guide for the intro materials course.

 

 

Materials Educational Software:

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Materials Mentor:  http://www.public.asu.edu/~jbadams

Ten 1-hour multimedia tutorials on Atomic Bonding, Crystal Structure and Defects, Structure of Polymers, Phase Diagrams (4), Mechanical Properties (2), Steel Processing.

 

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MAST: http://matse1.mse.uiuc.edu/~tw

Eight teaching guides on materials technology, for high school science teachers, including scientific background and many lab activities.  Guides include Overview of Materials, Metals, Ceramics, Polymers, Semiconductors, Composites, Concrete, and Energy (total of 800 pages).

 

 

Presentation Viewgraphs

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MRS Spring 2001 Meeting:
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AA4.3: EAM Cu-Ta Potential Developed with the Force-Matching Method, Y. Li, D. J. Siegel, J. B. Adams

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AA4.25: Stoichiometry and Adhesion of Al/WC, D. J. Siegel, L. G. Hector, Jr. J. B. Adams

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P3.6: Molecular Dynamics Simulation of Asperity Shear in Aluminum, J. Zhong, H. Yu, J. B. Adams

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O6.6: Multiscale Modelling of Growth of Polycrystalline Thin Films, J. B. Adams, J. Zhang, Z. Wang

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APS March Meeting 2001:
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S17.001: Adhesion, Stability, and Bonding at the Al(111)/WC(0001) Interface: An ab initio Study, Siegel, Hector, Adams.

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MRS Fall 2000 Meeting:
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Q1.6:  MOLECULAR DYNAMICS SIMULATIONS OF NANO- INDENTATION. Hualiang Yu, Arizona State University, Science and Engineering of Materials Program, Tempe, AZ; James Adams, Arizona State University, Dept of Chemical, Bio, and Materials Engineering, Tempe, AZ; Yang-Tse Cheng, General Motors Research and Development Center, Warren, MI; Louis Hector Jr, Surface Science Division, ALCOA Technical Center, ALCOA Center, PA.

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Q7.5:  MOLECULAR DYNAMICS SIMULATION OF ASPERITY SHEAR IN ALUMINUM. Jun Zhong, James B. Adams, Arizona State University, Dept. of Chemical and Materials Engineering, Tempe, AZ; Hualiang Yu, Arizona State University, Science and Engineering of Materials Program, Tempe, AZ.

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Z10.1:  FACET: A TWO DIMENSIONAL SIMULATOR OF POLY- CRYSTALLINE THIN FILM GROWTH. Jie Zhang, James B. Adams, Arizona State University, Dept of Chemical and Materials Engineering, Tempe, AZ.

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AA4.2:  FIRST PRINCIPLES SIMULATION OF ADHESION AT Al/METAL OXIDE INTERFACES. Donald J. Siegel, University of Illinois at Urbana-Champaign, Department of Physics, Urbana, IL; Louis G. Hector, Jr., ALCOA Technical Center, Surface Technology Division, ALCOA Center, PA; James B. Adams, Arizona State University, Department of Chemical, Bio, and Materials Engineering, Tempe, AZ.

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General Motors, February 21, 2000  and Johns Hopkins University, March 8, 2000 (PDF format)

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APS March 2000 Meeting:
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B9.006: Understanding Adhesion in Aluminum Processing via First Principles Simulation, Siegel, Hector, Adams.

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C16.003: Developing EAM Tantalum Potential Using Force Matching Method, Li, Siegel, Adams.

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E9.002: Asperity Shear in Aluminum, Zhong, Adams, Yu.

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K31.004: Modeling of Polycrystalline Thin Film Growth, Wang, Adams.

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K31.006: 2D Visualization of polycrystalline thin film growth, Zhang, Adams.

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M18.014: First-Principles Simulation of Adhesion at Metal-Ceramic Interfaces, Siegel, Hector, Adams.

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V29.006: Molecular Dynamics Simulations of Nanoidentation, Yu, Adams.

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MRS Spring 2000 Meeting:
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I5.6: Kinetic Lattice Monte Carlo Simulation of Polycrystalline Thin Film Growth, Wang, Adams.

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I6.10:  Visualization of Polycrystalline Thin Film Growth for PVD, Zhang, Adams.

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O9.20:  Asperity Shear in Al, Zhong, Adams, Yu.

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O9.22:  Development of Glue Type Potentials for the Al-Pb System: Phase Diagram Calculation, Landa, Wynblatt, Siegel, Adams.

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O9.23:  Development of an EAM Tantalum Potential Using the Force Matching Method, Li, Siegel, Adams.

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O10.1:  First-Principles Modeling of Adhesion at Metal-Ceramic Interfaces, Siegel, Hector, Adams.

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O12.1: Molecular Dynamics Simulations of Wear Processes, Yu, Adams.

 
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MRS Fall 2001 Meeting
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***** : papers/MRS2001_FALL_hualiang_Yu.pdf

 

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CSSS Spring 2002 Seminar series
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Computational Materials Science-Overview Talk

 
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APS 4 Corners Fall 2003 Meeting
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Ab inition Study of Adhesion to Aluminum, Ooi and Adams.

 

bullet ASU Fall 2003 workshop on Quantum and Many-body effects in nano-scale devices
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Density Functional Calculations of Bonding and Adhesion at Metal–Ceramic Interfaces, Ooi and Adams.

 
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APS 4 Corners Fall 2004 Meeting
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R3.003: Theoretical Study of Surface Stabilities of CeO2 - a DFT and DFT+U Study, Jiang and Adams.