“Core Level Chemical
Shifts in Metallic Alloys”, J.S. Faulkner, Yang Wang, and G.M. Stocks,
Phys. Rev. Lett., vol 81, 1905 (1998).
“Canted Magnetic Coupling
in Fe/Cr Multilayers”, ZhuPei Si, Yang Wang, G.M. Stocks, D.M.C. Nicholson,
W.A. Shelton, O. Yasar, Zhenyu Zhang, Phys. Rev. Lett., submitted.
“Non-collinear Magnetism
of Fe-rich FeNi Alloys”, Yang Wang, G.M. Stocks, D.M.C. Nicholson, and
W.A. Shelton, J. Phase Equilibria, (1998).
“The First Principles O[N]
LSMS Method and Its Applications to Magnetic Alloys”, Yang Wang, G.M. Stocks,
D.M.C. Nicholson, and W.A. Shelton, Int. J. Computers & Math. Appl.,
vol 35, 85 (1998).
“An evaluation of isomorphous
models of alloys”, J.S. Faulkner, N.Y. Moghadam, Yang Wang, G.M. Stocks,
Phys. Rev. B, (1998).
“Understanding the Electronic
States and Properties of Metallic Alloys with the Help of Order-N Calculations”,
J.S. Faulkner, N.Y. Moghadam, Yang Wang, G.M. Stocks, (1998).
“Magnetic structure and
electronic transport in permalloy”, D.M.C. Nicholson, W.A. Shelton, Yang
Wang, X.-G. Zhang, G.M. Stocks, and W.H. Butler, J. Appl. Phys. (1997).
“Electronic Structure of
NiPdP Amorphous Metals”, D.M.C. Nicholson, G.M. Stocks, Yang Wang, W.A.
Shelton, and J.C. Swihart, Met. Met. Trans. (1997).
“The influence of local
atomic configurations on the magnetism of random and short range clustered
CuNi alloys”, Yang Wang, G. M. Stocks, D. M. C. Nicholson, W. A. Shelton,
Z. Szotek, and W. M. Temmerman, J. Phase Equilibria, vol 18, 588 (1997).
“Coulomb energies in disordered
alloys and improvements on the coherent potential approximation”, J. S.
Faulkner, Yang Wang, and G. M. Stocks, J. Phase Equilibria, vol 18, 499
(1997).
“Coulomb Energies in Alloys”,
J.S. Faulkner, Yang Wang, G.M. Stocks, Phys. Rev. B, 55, 7492 (1997).
“Non-collinear Magnetic
Structure in Ni0.35Fe0.65”, Yang Wang, G.M. Stocks, D.M.C. Nicholson, W.A.Shelton,
V.P. Antropov and B.N. Harmon, J. Appl. Phys., 81, (1997).
“Early Experiences with
Distributed Supercomputing on I-Way: First Principles Materials Science
and Parallel Acoustic Wave Propagation”, G.A. Geist, J.A. Kohl, D.M.C.
Nicholson, P.M. Papadopoulos, B.D. Semeraro, W.A. Shelton, G.M. Stocks,
Y. Wang, The International Journal of Supercomputer Applications and High
Performance Computing, vol 10, 157 (1996).
“Energetics of Alloys”,
J. S. Faulkner, Yang Wang, Nassrin Y. Moghadam, and G. M. Stocks, Proceedings
of the First International Alloy Conference (IAC-1) edited by A. Gonis,
A. Meike, and P.E.A. Turchi, PLenum Publishing Corp., New York, 1996.
“The Massively Parallel
O(N) LSMS-Method: Alloy Energies and Non-Collinear Magnetism”, G.M. Stocks,
Yang Wang, D.M.C. Nicholson, W.A. Shelton, W.M. Temmerman, Z. Szotek, B.N.
Harmon, and V.P. Antropov, <Materials Theory, Simulations, and Parallel
Algorithms>, Ed. E. Kaxiras, J. Joannopoulos, P. Vashishta and R. Kalia,
Mat. Res. Soc. Symp. Vol 408, 157 (1996).
“O(N) Multiple Scattering
Method for Relativistic and Spin Polarized Systems”, S.V. Beiden, G.Y.
Guo, W.M. Temmerman, Z. Szotek, G.A. Gehring, Yang Wang, G.M. Stocks, D.M.C.
Nicholson, W.A. Shelton, and H. Ebert, <Materials Theory, Simulations,
and Parallel Algorithms>, Ed. E. Kaxiras, J. Joannopoulos, P. Vashishta
and R. Kalia, Mat. Res. Soc. Symp. Vol 408, 73 (1996).
“EELS Studies of B2-Type
Transition Metal Aluminides: Experiment and Theory”, G.A. Bottom, G.Y.
Guo, W.M. Temmerman, Z. Szotek, C.J. Humphreys, Yang Wang, G.M. Stocks,
D.M.C. Nicholson, and W.A. Shelton, <Materials Theory, Simulations,
and Parallel Algorithms>, Ed. E. Kaxiras, J. Joannopoulos, P. Vashishta
and R. Kalia, Mat. Res. Soc. Symp. Vol 408, 157 (1996).
“Contributions to the total
energy of random alloys”, J. S. Faulkner, Yang Wang, and G. M. Stocks,
Prodeedings of the NATO-ASI Stability of Materials, NATO ASI Series E:
Applied Sciences, edited by A. Gonis, P. E. A. Turchi, and J. Kudrnovsky,
Kluwer Academic Publishers, the Netherlands, 1996.
“The Magnetic Structure
of Cu(.2)Ni(.8) Alloys”, Yang Wang, G.M. Stocks, D.M.C. Nicholson, W.A.
Shelton, W.M. Temmerman, and Z. Szotek, <Materials Theory, Simulations,
and Parallel Algorithms>, Ed. E. Kaxiras, J. Joannopoulos, P. Vashishta
and R. Kalia, Mat. Res. Soc. Symp. Vol 408, 585 (1996).
“Calculation of Electronic
Properties of Amorphous Alloys”, J.C. Swihart, D.M.C. Nicholson, G.M. Stocks,
Y. Wang, W.A. Shelton, and H. Yang, J. Non-Crys. Mat. vol 205, 841 (1996).
“An Observation on the
Density Functional Theory of Electrons in Extended Systems”, J.S. Faulkner,
Yang Wang, G.M. Stocks, Phys. Rev. B 52, 17106 (1995).
“Order-N Multiple Scattering
Approach to Electronic Structure Calculations”, Yang Wang, G.M. Stocks,
W.A. Shelton, D.M.C. Nicholson, W.M. Temmerman, and Z. Szotek, Phys. Rev.
Lett., 75, 2867 (1995).
“The influence of short
range order on the energetics of Ni-rich NiAl alloys”, Yang Wang, G. M.
Stocks, D. M. C. Nicholson, W. A. Shelton, Z. Szotek, and W. M. Temmerman,
Proceedings of MRS Symposium 1994 fall, High Temperature Ordered Intermetallic
Alloys VI, edited by J. A. Horton et al., vol. 364, pp. 381, Materials
Research Society, 1995.
“Local density calculations
for large systems using multiple scattering theory”, D. M. C. Nicholson,
G. M. Stocks, Yang Wang, W. A. Shelton, Surface Review and Letters, Vol
2, 71 (1995).
“Stationary nature of the
density-functional free energy: application to accelerated multiple-scattering
calculations”, D. M. C. Nicholson, G. M. Stocks, Yang Wang, W. A. Shelton,
Z. Szotek, and W. M. Temmerman, Phys. Rev. B 50, 14686 (1994).
“Towards scalable electronic
structure calculations for alloys”, G. M. Stocks, D. M. C. Nicholson, Yang
Wang, W. A. Shelton, Z. Szotek, and W. M. Temmerman, Proceedings of the
1994 Simulation Multiconference, High Performance Computing Symposium 1994,
edited by Adrian M. Tentner, The Society for Computer Simulation, San Diego,
1994.
“Spin-polarized KKR-CPA
calculations for ferromagnetic CuNi alloys”, Yang Wang, G. M. Stocks, D.
M. C. Nicholson, and W. A. Shelton, Proceedings of the TMS symposium 1993,
Alloy Modeling and Design, edited by G. M. Stocks and P. E. A. Turchi,
The Minerals, Metals and Materials Society, Warrendale, 1994.
“Alloy phases calculated
with an embedded cluster and Monte Carlo method”, J. S. Faulkner, Yang
Wang, and G. M. Stocks, Proceedings of the TMS symposium 1993, Alloy Modeling
and Design, edited by G. M. Stocks and P. E. A. Turchi, The Minerals, Metals
and Materials Society, Warrendale, 1994.
“Alloy calculations on
massively parallel computers”, G. M. Stocks, D. M. C. Nicholson, Yang Wang,
W. A. Shelton, Z. Szotek, and W. M. Temmerman, Proceedings of NATO-ARW,
Metallic Alloys: Experimental and Theoretical Perspectives, edited by J.
S. Faulkner and R. G. Jordan, Vol. 256, pp. 403, Kluwer Academic Publishers,
The Netherlands, 1994
“General method for evaluating
shape truncation functions of Voronoi polyhedra”, Yang Wang, G.M. Stocks,
J.S. Faulkner, Phys. Rev. B, 49, 5028 (1994).
“A direct Monte Carlo method
for calculating alloy phases”, J. S. Faulkner, Eva A. Hovath, Yang Wang,
and G. M. Stocks, Proceedings of NATO-ASI, Statics and Dynamics of Alloy
Phase Transformations, edited by P. E. A. Turchi and A. Gonis, Vol. 319,
pp. 545, Plenum Press, New York, 1994.
“Structure of Palladium-Rhodium
Alloys below Their Melting Points”, Yang Wang, J.S. Faulkner, G.M. Stocks,
Phys. Rev. Lett., 70, 3287 (1993).
“Applications of the quadratic
Korringa-Kohn-Rostoker band-theory method to complex lattices”, Yang Wang,
J. S. Faulkner, and D. M. Nicholson, Phys. Rev. B 45, 1425 (1992).
“Single impurity calculations
using the quadratic Korringa-Kohn-Rostoker method”, A. N. Andriotis, J.
S. Faulkner, and Yang Wang Solid State Communications, 84, 267 (1992).
“Calculations of alloy
phases with a direct Monte-Carlo method”, J. S. Faulkner, Yang Wang, Eva
A. Hovath, and G. M. Stocks, Proceedings of MRS Symposium, Materials Theory
and Modeling, edited by P. D. Bristowe, J. Broughton, and J. M. Newsom,
Vol. 291, pp. 143, The Materials Research Society, 1992