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Research Output 1988 2019

2001
36 Citations (Scopus)

Adhesion, lubrication and wear on the atomic scale

Adams, J., Hector, L. G., Siegel, D. J., Yu, H. & Zhong, J., 2001, In : Surface and Interface Analysis. 31, 7, p. 619-626 8 p.

Research output: Contribution to journalArticle

lubrication
Lubrication
adhesion
Adhesion
Wear of materials
3 Citations (Scopus)

Electronic structure and bonding at the Al-terminated Al(111)/α-Al2O3(0001) interface: A first principles study

Siegel, D. J., Hector, L. G. & Adams, J., 2001, In : Materials Research Society Symposium - Proceedings. 654, p. AA4.2.1-AA4.2.6

Research output: Contribution to journalArticle

Electronic structure
electronic structure
Oxides
Cations
Positive ions
1 Citation (Scopus)

Electronic structure and bonding at the Al-terminated Al(111)/α-Al 2O 3(0001) interface: A first principles study

Siegel, D. J., Hector, L. G. & Adams, J., 2001, Materials Research Society Symposium - Proceedings. Carter, C., Pan, X., Sickafus, K., Tuller, H. & Wood, T. (eds.). Vol. 654.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Electronic structure
Oxides
Cations
Positive ions
Corundum
3 Citations (Scopus)

FACET: A two dimensional simulator of polycrystalline thin film growth

Zhang, J. & Adams, J., 2001, Materials Research Society Symposium - Proceedings. Kubin, L. P., Selinger, R. L., Bassani, J. L. & Cho, K. (eds.). Vol. 653.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Film growth
Simulators
Thin films
Nucleation
Crystal microstructure
41 Citations (Scopus)

Investigation of vinyl phosphonic acid/hydroxylated α-Al2O3(0001) reaction enthalpies

Hector, L. G., Opalka, S. M., Nitowski, G. A., Wieserman, L., Siegel, D. J., Yu, H. & Adams, J., Nov 10 2001, In : Surface Science. 494, 1, p. 1-20 20 p.

Research output: Contribution to journalArticle

Enthalpy
enthalpy
acids
Acids
Molecules
16 Citations (Scopus)

Metal/ceramic interfaces: A microscopic analysis

Adams, J., Hector, L. G., Siegel, D. J., Yu, H. & Zhong, J., Jul 2001, In : Surface and Interface Analysis. 31, 7, p. 637-658 22 p.

Research output: Contribution to journalArticle

Cermets
ceramics
Dissimilar materials
Ceramic materials
High resolution transmission electron microscopy

Stoichiometry and adhesion of Al/WC

Siegel, D. J., Hector, L. G. & Adams, J., 2001, In : Materials Research Society Symposium - Proceedings. 677, p. AA4.25.1-AA4.25.6

Research output: Contribution to journalArticle

Stoichiometry
stoichiometry
adhesion
Adhesion
Geometry

Stoichiometry and adhesion of Al/WC

Siegel, D. J., Hector, L. G. & Adams, J., 2001, Materials Research Society Symposium - Proceedings. Bulatov, V., Colombo, L., Cleri, F., Lewis, L. & Mousseau, N. (eds.). Vol. 677.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Stoichiometry
Adhesion
Geometry
Free energy
Density functional theory
28 Citations (Scopus)

Theoretical analysis of N2O to N2 conversion during the catalytic decomposition of NO by Cu-zeolites

Sengupta, D., Adams, J., Schneider, W. F. & Hass, K. C., Jul 2001, In : Catalysis Letters. 74, 3-4, p. 193-199 7 p.

Research output: Contribution to journalArticle

Zeolites
zeolites
Decomposition
decomposition
Carbon Monoxide
2000
57 Citations (Scopus)

Development of glue-type potentials for the Al-Pb system: phase diagram calculation

Landa, A., Wynblatt, P., Siegel, D. J., Adams, J., Mryasov, O. N. & Liu, X. Y., May 11 2000, In : Acta Materialia. 48, 8, p. 1753-1761 9 p.

Research output: Contribution to journalArticle

Orbital calculations
Tin
Glues
Phase diagrams
Monte Carlo simulation
53 Citations (Scopus)

Kinetic lattice Monte Carlo simulation of facet growth rate

Wang, Z., Li, Y. & Adams, J., Apr 1 2000, In : Surface Science. 450, 1, p. 51-63 13 p.

Research output: Contribution to journalArticle

flat surfaces
Adatoms
adatoms
Kinetics
kinetics
48 Citations (Scopus)

Modeling Cu thin film growth

Adams, J., Wang, Z. & Li, Y., Apr 17 2000, In : Thin Solid Films. 365, 2, p. 201-210 10 p.

Research output: Contribution to journalArticle

Film growth
Molecular dynamics
Monte Carlo methods
Nucleation
general overviews
38 Citations (Scopus)

Statistical analysis of Al distributions and metal ion pairing probabilities in zeolites

Goodman, B. R., Hass, K. C., Schneider, W. F. & Adams, J., Aug 2000, In : Catalysis Letters. 68, 1-2, p. 85-93 9 p.

Research output: Contribution to journalArticle

Zeolites
ion distribution
zeolites
statistical analysis
Metal ions
1999
62 Citations (Scopus)

Cluster model studies of oxygen-bridged Cu pairs in Cu-ZSM-5 catalysts

Goodman, B. R., Hass, K. C., Schneider, W. F. & Adams, J., Nov 25 1999, In : Journal of Physical Chemistry B. 103, 47, p. 10452-10460 9 p.

Research output: Contribution to journalArticle

Zeolites
Oxygen
catalysts
Catalysts
oxygen
6 Citations (Scopus)

CO oxidation catalyzed by Cu-exchanged zeolites: A density functional theory study

Sengupta, D., Schneider, W. F., Hass, K. C. & Adams, J., Sep 1999, In : Catalysis Letters. 61, 3-4, p. 179-186 8 p.

Research output: Contribution to journalArticle

Zeolites
Carbon Monoxide
zeolites
Density functional theory
density functional theory
2 Citations (Scopus)

Molecular dynamics study of defect production due to low-energy collisions

Finder, J. M., Richards, D. F. & Adams, J., Jul 1999, In : Modelling and Simulation in Materials Science and Engineering. 7, 4, p. 495-502 8 p.

Research output: Contribution to journalArticle

Molecular Dynamics
Molecular dynamics
Silicon
Collision
Defects
14 Citations (Scopus)

On the mechanism of silicon nitride chemical vapor deposition from dichlorosilane and ammonia

Korkin, A. A., Cole, J. V., Sengupta, D. & Adams, J., Nov 1999, In : Journal of the Electrochemical Society. 146, 11, p. 4203-4212 10 p.

Research output: Contribution to journalArticle

Silicon nitride
Ammonia
silicon nitrides
ammonia
Chemical vapor deposition
1998
62 Citations (Scopus)

Atomistic studies of segregation and diffusion in Al-Cu grain boundaries

Liu, X. Y., Xu, W., Foiles, S. M. & Adams, J., 1998, In : Applied Physics Letters. 72, 13, p. 1578-1580 3 p.

Research output: Contribution to journalArticle

grain boundaries
atoms
hydrostatics
activation energy
82 Citations (Scopus)

Density functional theory study of transformations of nitrogen oxides catalyzed by Cu-exchanged zeolites

Schneider, W. F., Hass, K. C., Ramprasad, R. & Adams, J., May 7 1998, In : Journal of Physical Chemistry B. 102, 19, p. 3692-3705 14 p.

Research output: Contribution to journalArticle

Nitrogen Oxides
Zeolites
nitrogen oxides
Nitrogen oxides
zeolites
19 Citations (Scopus)

DFT-LDA study of NO adsorption on Rh(110) surface

Liao, D., Glassford, K. M., Ramprasad, R. & Adams, J., Sep 30 1998, In : Surface Science. 415, 1-2, p. 11-19 9 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Adsorption
adsorption
plane waves
dissociation
52 Citations (Scopus)

Energetics of hydrogen in amorphous silicon: An ab initio study

Tuttle, B. & Adams, J., May 15 1998, In : Physical Review B - Condensed Matter and Materials Physics. 57, 20, p. 12859-12868 10 p.

Research output: Contribution to journalArticle

Amorphous silicon
amorphous silicon
Hydrogen
hydrogen
hydrogen atoms
70 Citations (Scopus)

Grain-boundary segregation in Al-10%Mg alloys at hot working temperatures

Liu, X. Y. & Adams, J., Jun 12 1998, In : Acta Materialia. 46, 10, p. 3467-3476 10 p.

Research output: Contribution to journalArticle

Hot working
Grain boundaries
Fracture energy
Temperature
59 Citations (Scopus)

Theoretical analysis of oxygen-bridged Cu pairs in Cu-exchanged zeolites

Goodman, B. R., Schneider, W. F., Hass, K. C. & Adams, J., 1998, In : Catalysis Letters. 56, 4, p. 183-188 6 p.

Research output: Contribution to journalArticle

Zeolites
Electronic states
zeolites
Isomers
Density functional theory
1997
122 Citations (Scopus)

Anisotropic surface segregation in Al-Mg alloys

Liu, X. Y., Ohotnicky, P. P., Adams, J., Lane Rohrer, C. & Hyland, R. W., Mar 1 1997, In : Surface Science. 373, 2-3, p. 357-370 14 p.

Research output: Contribution to journalArticle

Surface segregation
Strain energy
Anisotropy
embedded atom method
Atoms
51 Citations (Scopus)

Cu-dinitrosyl species in zeolites: A density functional molecular cluster study

Ramprasad, R., Hass, K. C., Schneider, W. F. & Adams, J., Aug 28 1997, In : Journal of Physical Chemistry B. 101, 35, p. 6903-6913 11 p.

Research output: Contribution to journalArticle

Zeolites
molecular clusters
zeolites
Ions
Decomposition
94 Citations (Scopus)

Density functional studies of small platinum clusters

Yang, S. H., Drabold, D. A., Adams, J., Ordejón, P. & Glassford, K., Feb 3 1997, In : Journal of Physics Condensed Matter. 9, 5

Research output: Contribution to journalArticle

Vibrational spectra
Platinum
Dimers
Density functional theory
Quenching
53 Citations (Scopus)

First-principles analysis of elementary steps in the catalytic decomposition of NO by Cu-exchanged zeolites

Schneider, W. F., Hass, K. C., Ramprasad, R. & Adams, J., May 29 1997, In : Journal of Physical Chemistry B. 101, 22

Research output: Contribution to journalArticle

Zeolites
zeolites
Decomposition
decomposition
Atoms
3 Citations (Scopus)

First-principles simulations of a-Si: H surfaces

Kilian, K. A. & Adams, J., Nov 1997, In : Modelling and Simulation in Materials Science and Engineering. 5, 6, p. 549-562 14 p.

Research output: Contribution to journalArticle

First-principles
Simulation
simulation
Electronic Structure
Geometric Structure
16 Citations (Scopus)

Structure, dissociation, and the vibrational signatures of hydrogen clusters in amorphous silicon

Tuttle, B. & Adams, J., Aug 15 1997, In : Physical Review B - Condensed Matter and Materials Physics. 56, 8, p. 4565-4572 8 p.

Research output: Contribution to journalArticle

Amorphous silicon
amorphous silicon
Hydrogen
signatures
dissociation
39 Citations (Scopus)

Theoretical study of CO and NO vibrational frequencies in Cu-water clusters and implications for Cu-exchanged zeolites

Ramprasad, R., Schneider, W. F., Hass, K. C. & Adams, J., Mar 13 1997, In : Journal of Physical Chemistry B. 101, 11, p. 1940-1949 10 p.

Research output: Contribution to journalArticle

Zeolites
Bond length
Vibrational spectra
Carbon Monoxide
zeolites
1996
95 Citations (Scopus)

Cluster models of Cu binding and CO and NO adsorption in cu-exchanged zeolites

Schneider, W. F., Hass, K. C., Ramprasad, R. & Adams, J., 1996, In : Journal of Physical Chemistry. 100, 15, p. 6032-6046 15 p.

Research output: Contribution to journalArticle

Zeolites
Carbon Monoxide
zeolites
Ions
Adsorption
25 Citations (Scopus)

CO on Pd(110): Determination of the optimal adsorption site

Ramprasad, R., Glassford, K. M., Adams, J. & Masel, R. I., Jul 10 1996, In : Surface Science. 360, 1-3, p. 31-42 12 p.

Research output: Contribution to journalArticle

Carbon Monoxide
Adsorption
adsorption
Local density approximation
Photoemission
202 Citations (Scopus)

EAM potential for magnesium from quantum mechanical forces

Liu, X. Y., Adams, J., Ercolessi, F. & Moriarty, J. A., 1996, In : Modelling and Simulation in Materials Science and Engineering. 4, 3, p. 293-303 11 p.

Research output: Contribution to journalArticle

embedded atom method
Magnesium
magnesium
Defect structures
Structural properties
17 Citations (Scopus)

Oscillatory interaction of steps on W{110}

Xu, W., Adams, J. & Einstein, T. L., 1996, In : Physical Review B - Condensed Matter and Materials Physics. 54, 4, p. 2910-2916 7 p.

Research output: Contribution to journalArticle

Precious metals
Transition metals
Microscopes
interactions
Scanning
25 Citations (Scopus)

Structure of a-Si: H from Harris-functional molecular dynamics

Tuttle, B. & Adams, J., Jun 15 1996, In : Physical Review B - Condensed Matter and Materials Physics. 53, 24, p. 16265-16271 7 p.

Research output: Contribution to journalArticle

Molecular dynamics
molecular dynamics
Hydrogen
hydrogen
Amorphous silicon
1995
23 Citations (Scopus)

EAM calculations of the thermodynamics of amorphous copper

Brown, T. M. & Adams, J., Jan 1995, In : Journal of Non-Crystalline Solids. 180, 2-3, p. 275-284 10 p.

Research output: Contribution to journalArticle

embedded atom method
Free energy
Copper
free energy
Thermodynamics
19 Citations (Scopus)

Interstitial diffusion along twist grain boundaries in Cu

Nomura, M. & Adams, J., Nov 1995, In : Journal of Materials Research. 10, 11, p. 2916-2924 9 p.

Research output: Contribution to journalArticle

interstitials
Grain boundaries
grain boundaries
energy of formation
embedded atom method
10 Citations (Scopus)

Temperature dependence of surface phonons of Al(110)

Raphuthi, A. M., Wang, X. Q., Ercolessi, F. & Adams, J., 1995, In : Physical Review B. 52, 8

Research output: Contribution to journalArticle

Phonons
phonons
temperature dependence
Temperature
Aluminum
11 Citations (Scopus)

W adatom-adatom interactions on the W(110) surface

Xu, W. & Adams, J., Oct 1 1995, In : Surface Science. 339, 3, p. 241-246 6 p.

Research output: Contribution to journalArticle

Adatoms
adatoms
interactions
Binding sites
Microscopic examination
16 Citations (Scopus)

W dimer diffusion on W(110) and (211) surfaces

Xu, W. & Adams, J., Oct 1 1995, In : Surface Science. 339, 3, p. 247-257 11 p.

Research output: Contribution to journalArticle

Dimers
dimers
Adatoms
adatoms
activation energy
1994

Ab initio study of Pd carbonyls and CO/Pd(110)

Ramprasad, R., Glassford, K. M. & Adams, J., 1994, Materials Research Society Symposium - Proceedings. Materials Research Society, Vol. 344. p. 121-126 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Quantum chemistry
Carbon Monoxide
16 Citations (Scopus)

Atomic-level computer simulation

Adams, J., Rockett, A., Kieffer, J., Xu, W., Nomura, M., Kilian, K. A., Richards, D. F. & Ramprasad, R., 1994, In : Journal of Nuclear Materials. 216, C, p. 265-274 10 p.

Research output: Contribution to journalArticle

computerized simulation
Computer simulation
Molecular dynamics
molecular dynamics
optimization
1 Citation (Scopus)

Density-functional study of chemisorption of oxygen on Al(111)

Ramprasad, R., Drabold, D. A. & Adams, J., 1994, Materials Research Society Symposium Proceedings. Desu, S. B., Beach, D. B., Wessels, B. W. & Gokoglu, S. (eds.). Pittsburgh, PA, United States: Publ by Materials Research Society, Vol. 317. p. 381-386 6 p.

Research output: Chapter in Book/Report/Conference proceedingConference contribution

Chemisorption
Oxygen
Surface relaxation
Atoms
Monolayers
6 Citations (Scopus)
Transition metals
40 Citations (Scopus)

Fourth moment approximation to tight binding: application to bcc transition metals

Xu, W. & Adams, J., Jan 10 1994, In : Surface Science. 301, 1-3, p. 371-385 15 p.

Research output: Contribution to journalArticle

Transition metals
transition metals
moments
Surface reconstruction
Elastic constants

Improving the education of computational materials scientists and physicists

Adams, J., Jan 1994, In : Computational Materials Science. 2, 1, p. 177-179 3 p.

Research output: Contribution to journalArticle

Crystal Structure
numerical analysis
Numerical Analysis
education
crystal structure
587 Citations (Scopus)

Interatomic potentials from first-principles calculations: The force-matching method

Ercolesi, F. & Adams, J., Jun 10 1994, In : EPL. 26, 8, p. 583-588 6 p.

Research output: Contribution to journalArticle

glues
aluminum
liquids
configurations
crystals
2 Citations (Scopus)

Mechanical properties of twist grain boundaries in Cu

Nomura, M. & Adams, J., 1994, In : Interface Science. 2, 2, p. 137-146 10 p.

Research output: Contribution to journalArticle

Grain boundaries
grain boundaries
Elastic moduli
mechanical properties
Mechanical properties
22 Citations (Scopus)

Molecular dynamics simulations of consolidation processes during fabrication of nanophase palladium

Liu, C. L., Adams, J. & Siegel, R. W., 1994, In : Nanostructured Materials. 4, 3, p. 265-274 10 p.

Research output: Contribution to journalArticle

consolidation
Palladium
Consolidation
Molecular dynamics
palladium
30 Citations (Scopus)

Structure of seven W surfaces

Xu, W. & Adams, J., Nov 1 1994, In : Surface Science. 319, 1-2, p. 45-57 13 p.

Research output: Contribution to journalArticle

contraction
spacing
Surface reconstruction
expansion
moments