Vita for Donald Siegel

Career Goal | Education | Work Experience | Computer Skills
Honors | Publications | Presentations | Hobbies | Contact Information

Career Goal

To further the development, understanding, and application of advanced materials through the use of computer simulation techniques.

Education

	Ph.D. in Physics, University of Illinois at Urbana-Champaign (UIUC), August 2001. Thesis topic: First-Principles Study of Metal-Ceramic Interfaces. Advisor: Jim Adams.
	Graduate Certificate in Computational Science and Engineering, UIUC, August 2001.
	B.S. in Mathematical Physics with honors, Case Western Reserve University (CWRU), 1995. Senior research topic: Monte Carlo simulation of Defects in Chiral Nematic Liquid Crystals. Advisor: Philip Taylor.

Work Experience

September 2001-Present: Postdoctoral Research Associate, Thin Film and Interface Science Group, Sandia National Laboratories, Livermore, CA.

Fall 1996-August 2001: Research Assistant, Department of Physics, UIUC, and Department of Materials Science, Arizona State University.

Developed methodology and initiated a study of the energetics, structure, and bonding at interfaces between various metal-oxides, -nitrides, and -carbides with Al and Al alloys through the use of first-principles electronic structure methods.

Initiated (as mentor to a junior group member) an ab initio study of nitride semiconductor (GaN, InN, AlN) superlattices.

Developed ab initio force databases for use in generating EAM atomic potentials for Pb-Al and Ta systems.

Summer 2000: Student Intern, General Motors. (Materials and Process Laboratory, GM Technical Center, Warren, MI.) Studied surfaces and interfaces of transition metal oxides for use in tribological applications. Gave weekly lectures on computational materials science.

Fall 1999: Teaching Assistant for graduate course in Computational Quantum Mechanics, Department of Materials Science and Engineering, ASU. Developed and supervised computer laboratories to teach several electronic structure codes.

Summer '97, '98, '99: Student Intern, Alcoa Technical Center, Pittsburgh, PA. Continued study of adhesion at metal-ceramic interfaces.

Spring 1996: Teaching Assistant for Classical Mechanics, Dept of Physics, UIUC.

Fall 1995: Teaching Assistant for Electricity and Magnetism for Scientists and Engineers, Dept of Physics, UIUC.

Spring '95: Programmer, Practisys Inc., Cleveland, OH

Summer '93, '94, '95: Research Assistant, Department of Physics, CWRU. Developed a Monte Carlo simulation of the structure of polymer-stabilized cholesteric liquid crystals in order to study topological defects (disclinations).

Computer Skills

	Languages: C, Fortran 90, Mathematica, UNIX shell programming, PostScript
	Operating Systems: UNIX, Windows, MacOS
	Molecular Modeling Software: VASP, CASTEP, Gaussian98, ADF, Dmol, ParaDyn, SIESTA
	Parallel Programming: coursework involving MPI, OpenMP, and scaLAPACK. Experience using massively parallel machines such as SGI Origin2000, Cray T3E, and Linux Beowulf Clusters.
	Numerical Methods: Kinetic and traditional Monte Carlo methods, numerical linear algebra, integration, optimization, simulated annealing, molecular dynamics.
	Web Publishing: web page administrator for Computational Materials Science Group (http://ceaspub.eas.asu.edu/cms).

Honors and Awards

	National Science Scholar, US Department of Education, 1991-1995.
	Outstanding Teaching Awards, UIUC Physics Department Fall 1995 and Spring 1996.
	Senior Scholar Award, CWRU Physics Department, Spring 1995.
	NSF Travel Fellowship to attend: Ab Initio Calculation in Relation to Modeling Constitutive Relations and Fracture Toughness of Metals, Lyon, France, October 1997.
	Presidential Scholar, CWRU, 1991-1995
	Ohio Academic Scholar, 1991-1995
	Robert C. Byrd Scholar, 1991-1995
	Class Valedictorian, Boardman HS, 1991

Publications and Refereed Proceedings

#	Author	Title	Source	Text
1	D. J. Siegel	"First-principles study of metal--ceramic interfaces"	Ph.D Thesis
2	D. J. Siegel, L. G. Hector, Jr., J. B. Adams	"Electronic Structure and Bonding at the Al--terminated Al(111)/Al₂O₃(0001) interface: A first principles study"	Mat. Res. Soc. Symp. Proc. 654, AA4.2.1 (2001)
3	J. B. Adams, L. G. Hector, Jr. D. J. Siegel, H. Yu, J. Zhong, Y. T. Cheng	"Adhesion, Lubrication, and Wear on the Atomic Scale"	Surf. Interface Anal. 31, 619 (2001).
4	D. J. Siegel, L. G. Hector, Jr., J. B. Adams	"Adhesion, Atomic Structure, and Bonding at the Al(111)/a-Al₂O₃(0001) Interface: A first principles study"	Submitted to Physical Review B
5	L. G. Hector, Jr. G. A. Nitowski, S. M. Opalka, L. Weiserman, D. J. Siegel, H. Yu, J. B. Adams	"Ab initio Study of Vinyl Phosphonic Acid Binding to Hydroxylated a-Al₂O₃(0001)"	Accepted into Surface Science (two files: figures + text)
6	A. Landa, P. Wynblatt, D. J. Siegel, J. B. Adams, O. N. Mryasov, X. Y. Liu	"Development of Glue-type Potentials for the Al-Pb System: Phase Diagram Calculation"	Acta Materialia 48, 1753 (2000)
7	D. J. Siegel, J. B. Adams	"Importance of Terrace Diffusion Events in Specific-Event Kinetic Lattice Monte Carlo Simulations of Thin Film Growth"	to be submitted to Modeling and Simulation in Materials Science and Engineering
8	D. J. Siegel, L. G. Hector, Jr., J. B. Adams	"Stoichiometry and Adhesion of Al/WC"	Mat. Res. Soc. Symp. Proc. 677, AA4.25 (2001)
9	D. J. Siegel, L. G. Hector, Jr., J. B. Adams	"Adhesion, Stability, and Bonding at Metal/Metal-Carbide Interfaces: Al/WC"	Submitted to Surface Science
10	D. J. Siegel, L. G. Hector, Jr., J. B. Adams	"First-Principles Study of Metal--Carbide/Nitride Adhesion: Al/VC vs. Al/VN"	Submitted to Acta Mater.
11	D. J. Siegel, L. G. Hector, Jr., J. B. Adams	"Trends in Metal--Ceramic Adhesion from First-Principles Simulation"	To be submitted to Phys. Rev. Lett.
12	L. G. Hector, D. J. Siegel, J. B Adams	"Atomistic Simulation of Adhesion and Adhesive Metal Transfer at Metal/Metal-Oxide Interfaces"	Proceedings: Integration of Material, Process, and Product Design, Seven Springs PA, p39-46 (1998)
13	P. L. Taylor, D. J. Siegel	"Approach to Equilibrium in Cholesteric Liquid Crystals"	Proceedings: Condensed Matter and Materials Physics Conference 1995, (CMMP'95). Institute of Physics, London, 1996, p93

Presentations

Poster: Adhesion, Atomic Structure, and Bonding at the a-Al₂O₃(0001)/Al(111) Interface: A First-Principles Study, D. J. Siegel, L. G. Hector, Jr., J. B. Adams. Presented at: 2nd Workshop on Computational Materials and Electronics, Motorola University, Tempe, AZ, Nov. 9-10, 2000.

MRS Spring Meeting 2001:

AA4.25: Predicting Trends in Metal/Ceramic Adhesion Via First-Principles, Siegel, Hector, Adams.

APS March Meeting 2001:

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

MRS Fall 2000 Meeting:

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.

MRS Spring 2000 Meeting:

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

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

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

American Physical Society's March Meeting 2000:

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

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

Z9.007: Development of glue type potentials for the Al-Pb system: computer simulation of Pb/Al interfaces and phase diagram calculation

ab initio Simulation of Adhesion at Metal-Ceramic Interfaces, D.J. Siegel, L.G. Hector, J.B. Adams. Motorola Workshop on Computational Materials and Electronics, Tempe, AZ, November 1999.

First Principles Simulation of Nanotribology at Aluminum/Ceramic Interfaces, D.J. Siegel, L.G. Hector, J.B. Adams. 1999 APS March Meeting, Atlanta, GA.

Stable And Metastable Cholesteric Structures -- What Can Computer Simulations Tell Us? Philip L. Taylor, Donald J. Siegel, Xin-Yi Wang, Yi-Kuo Yu. 1995 APS March Meeting, San Jose, CA.

Defects in Cholesteric Liquid Crystals, D. J. Siegel and P. L. Taylor, NIST Workshop on Modeling of Polymers, Liquid Crystals, and their Mixtures. Gaithersberg, MD, 1995

Professional Memberships

American Physical Society

Materials Research Society

The Minerals, Metals, and Materials Society (TMS)

Hobbies and Recreational Interests

Mountain Biking, Rock Climbing, Hiking, Swing Dancing

Contact Information

Email: d-siegel@uiuc.edu

Web: http://ceaspub.eas.asu.edu/cms/people/siegel.html

Phone: 480.965.8509

US Mail: 116 E Del Rio, Tempe, AZ 85282

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