Dept of Engineering Physics
Email: Larry Burggraf
Postdoctoral Associate, Computational Chemistry, Iowa State University, with M.S. Gordon, Computational Chemistry of Siliconates, 1993
Ph.D., Chemistry, University of Denver, with D.E. Leyden, Photoacoustic Spectroscopy of Chemically Modified Surfaces, 1981
M.A., Mathematics, University of West Florida, Queing Simulation of Sample Processing in a Production Lab, 1977
M.S., Chemistry, The Ohio State University, with R.F. Firestone, Pulse Radiolysis of n-Pentane and n-Pentane, Oxygen Solutions, 1971
B.A., Chemistry, Olivet Nazarene University, 1968
Dr. Burggraf is a Professor of Chemical Physics and Engineering Physics in the Department of Engineering Physics at the Air Force Institute of Technology. He teaches courses in nuclear chemical engineering, nuclear measurements, physical chemistry, computational chemistry, materials chemistry, and environmental monitoring.
Application interests:
Biophysics: Inactivation of Bacillus spores by thermal and ionizing radiation; Atomic Force Microscopy of biomaterials and polymers
Surface Physics: Surface chemistry and molecular spectroscopy of nuclear fuels; Positron spectroscopy and positron surface chemistry
Detection and Imaging: Muon detection and imaging; gamma imaging for non-proliferation applications and imaging of hidden sub-surface structure
Computational chemistry: Modeling molecules and clusters complement, including positrons and muons
Dr. Burggraf applies expertise in radiation measurements, surface chemistry, molecular spectroscopy, and atomic force microscopy in concert with quantum chemistry calculations to solve DoD problems and create new capabilities relevant to nuclear, chemical, and biological systems. His current research is in three areas: 1) chemical and biochemical detection, including chemical toxicity, MEMS photothermal IR spectroscopy, and surface stress cantilever detectors, as well as atomic force microscopy and molecular spectroscopy of chemical agents and microorganisms; 2) nuclear fuels detection, including uranium oxide surface chemistry and molecular spectroscopy (photoluminescence, infrared spectroscopy, Raman spectroscopy) and quantum modeling of actinide spectroscopy; 3) gamma spectroscopy and imaging with applications to radiation monitoring and nuclear counterproliferation, including imaging of radiation sources and hidden interfaces using Compton CT imaging; and 4) measuring and modeling radiation damage in solids and interfaces, including quantum modeling and molecular spectroscopy of silicon carbide, silicon, and siliconates with applications to electronics radiation damage, modeling, and measurement of positron spectroscopy, applying hybrid molecular mechanics/molecular orbital models to predict surface and defect structures. He has over 40 publications in these topic areas.
ATOMIC AND MOLECULAR SPECTROSCOPY
COMPUTATIONAL PHYSICS
ENVIRONMENTAL SCIENCE
GAMMA COMPTON IMAGING
TOMOGRAPHY
NUCLEAR FUELS DETECTION
NUCLEAR RADIATION SPECTROSCOPY
REACTION KINETICS
Journal Articles and Proceedings (peer reviewed):
47. "Composition of uranium oxide particles related to TOF-SIMS ion distributions", Surface and Interface Analysis (John Wiley&Sons), SIMS procedings paper issue (5Aug 2012, doi: 10.1002/sia.5114)
46. “Three-dimensional Electron-Positron Momentum Distribution Of O3+-Irradiated 6H SiC Using Two Positron Spectroscopy Techniques Simultaneously”, C S Williams, L W Burggraf, P E Adamson, J C Petrosky, Journal of Physics: Conference Series, vol 262, 012064, pp. 1-5 (2011).
45.“Oxygen-atom Defects in 6H Silicon Carbide Implanted Using 24 MeV O3+ Ions Measured Using Three-dimensional Positron Annihilation Spectroscopy System (3DPASS),”C S Williams, X Duan, J C Petrosky, L W Burggraf, AIP Conference Proceedings, Volume 1336, 458-464 (2011).
44.“Simultaneous, coincident 2-D ACAR and DBAR using segmented HPGe detectors incorporating sub-pixel interpolation” Christopher S. Williams, Larry W. Burggraf, Paul E. Adamson, James C. Petrosky and Mark E. Oxley,Journal of Physics: Conference Series, Vol. 225, Number 1, 012058 (2010).
43.“Application of GAMESS/NEO to quantum calculations of muonic molecules”, Eugene V Sheely, Larry W. Burggraf, Paul E. Adamson, Xiaofeng F. Duan and Mike W. Schmidt, Journal of Physics: Conference Series Vol. 225, Number 1, 225, 012049 (2010).
42.“Glass transitions in small heated volumes in thin polystyrene films”, Alex G. Li and Larry W. Burggraf, Rev. Sci. Instrum. 81, 123707-17 (2010).
41."Application of GAMESS/NEO to quantum calculations of muonic molecules", E V Sheely, L W Burggraf, P E Adamson, X F Duan, M W Schmidt, , Journal of physics. Conference series [1742-6588] 225, 1:012049 (2010).
40.“Toward Simultaneous 2D ACAR and 2D DBAR: Sub-Pixel Spatial Characterization of a Segmented HPGe Detector Using Transient Charges”, C.S. Williams, W.P. Baker, L.W. Burggraf, P.E. Adamson, and J.C. Petrosky, IEEE Transactions on Nuclear Science, vol. 57, No. 2, 860-869 (2010).
39.“Mapping ground-state properties of silicon carbide molecular clusters using quantum mechanical calculations: SimCn and SimCn-” X.F. Duan, J. Wei, L.W. Burggraf, and D. Weeks, Computational Materials Science 47, 630-644 (2010).
38.“Assessment of the Accuracy of Shape-Consistent Relativistic Effective Core Potentials Using Multireference Spin−Orbit Configuration Interaction Singles and Doubles Calculations of the Ground and Low-Lying Excited States of U4+ and U5+” E. V. Beck, S. R. Brozell, J-P. Blaudeau, L.W. Burggraf, and R. M. Pitzer, J. Phys. Chem. A, 113 (45), 12626–12631 (2009).
37. Surface stress influences on nanopatterns formed in polystyrene films using a force-modulated nanohammer” G. Li and L.W. Burggraf, Nanotechnology 19, 095301(2008).
36.“A graphical unitary group approach-based hybrid density functional theory multireference configuration interaction method”, Eric V. Beck, Eric A. Stahlberg , Larry W. Burggraf, and Jean-Philippe Blaudeau, Chemical Physics, vol. 349, 1-3, 158-169 (2008).
35. “Modeling positrons in molecular electronic structure calculations with the nuclear-electronic orbital method”, P. E. Adamson , X.F. Duan, L.W. Burggraf, M.V.Pak, C. Swalina, S. Hammes-Schiffer, Journal of Physical Chemistry A. 112(6):1346-51(2008).
34."Controlled patterning of polymer films using an atomic force microscope tip as a nano-hammer," G Li, L W Burggraf, and David Phillips, Nanotechnology 18, 245302 (2007).
33.“Atomic Force Microscopy of Bacillus Spore Surface Morphology,” R.A. Zolock, G. Li, C. Bleckmann, L. Burggraf, and D.C. Fuller, Micron, 27, 363-369 (2006).
32. “Lead (II) Ion Inhibition of Respiration and Replication in a Toluene-Enriched Microbial Population,” L.W. Burggraf, P.J.S. Marbas, C.A. Bleckmann, and J. Goodbody, Bioremediation Journal, 9(2), 63-75 (2005).
31. “Uranium oxide weathering: spectroscopy and kinetics,” R.A. Schueneman, A.I. Khaskelis, D. Eastwood, W.J. van Ooij, and L.W. Burggraf, Journal of Nuclear Materials, 323, 8-17 (2003).
30. “Photoelectron spectroscopy of Si2C3- and quantum chemistry of the linear Si2C3 cluster and its isomers,” Xiaofeng Duan, Larry W. Burggraf, David E. Weeks, Davico E. Gustavo, Rebecca L. Schwartz, and Carl W. Lineberger, Journal of Chemical Physics, 116, Issue 9, 3601-12 (2002).
29.“Demonstration of energy-coded Compton scatter tomography with fan beams for one-sided inspection,” B.L Evans, J. B. Martin, L.W. Burggraf, and M.C. Roggemann, Nuclear Instruments & Methods in Physics Research, Section A (Accelerators, Spectrometers, Detectors and Associated Equipment), Vol. 480, No. 2-3, 21, 797-806 (2002).
28.“An ab initio cluster study of the structure of the Si(001) surface,” J. Shoemaker, L.W. Burggraf, and M.S. Gordon, Journal of Chemical Physics, 112, No. 6, 2994-3005 (2000), Response to "Comment on `An ab initio cluster study of the structure of the Si(001) surface' " [J. Chem. Phys. 113, 9353 (2000)], M.S. Gordon, J.R. Shoemaker, and L.W. Burggraf, Journal of Chemical Physics, 113, No. 20, 9355-6 (2000).
27.“Photothermal Spectroscopy using Multilayer Cantilever for Chemical Detection,” G. Li, L.W. Burggraf, and W. P. Baker, Applied Physics Letters, 76, 9, 1122 (2000).
26.“High-temperature photoluminescence in sol-gel silica containing SiC/C nanostructures,” G. Li, L.W. Burggraf, J.R. Shoemaker, D. Eastwood, and A.E. Stiegman, Applied Physics Letters, 76, 23, 3373 (2000).
25.“SIMOMM: An Integrated Molecular Orbital/ Molecular mechanics Optimization Scheme for Surfaces,” J.R. Shoemaker, L.W. Burggraf, and M.S. Gordon, Journal of Physical Chemistry, A, 103, 3245 (1999).
24."Metabolic Inhibition by Transition Metal Ions in a Slow-Growing Toluene-Enriched Microbial Population," L.W. Burggraf, S.D. Hansen, and C.A. Bleckmann, Environmental Toxicology and Water Quality, 13, 249-261 (1998).
23."Nondestructive Inspection Using Compton Scatter Tomography,” B.L. Evans, J.B Martin, L.W. Burggraf, and M.C. Roggemann, IEEE Transactions on Nuclear Science, 45, 950-965 (1998).
22."Detecting Alpha Radiation by Scintillation in Porous Materials,” M.E. Keillor and L.W. Burggraf, IEEE Transactions on Nuclear Science, 44, 1741-1746 (1997).
21."Influence of Radionuclide Adsorption on Detection Efficiency and Energy Resolution for Flow-Cell Radiation Detectors," T.A. DeVol, M.E. Keillor, and L.W. Burggraf, IEEE Transactions on Nuclear Science, 43, 1310-1315 (1996).
20. "Theoretical Study of Pseudorotation of Pentacoordinated Silicon Anions: SiH5-nXn- (X=F, Cl)," T.L. Windus, M.S. Gordon, L.P. Davis, and L.W. Burggraf, Journal of the American Chemical Society, 116, 3568 (1994).
19. "Theoretical Studies of Hypervalent Silicic Acid Compounds," M.S. Gordon, M.T. Carroll, L.P. Davis, and L.W. Burggraf, Computational Materials Science, 1, 161-168 (1993).
18. "Barium Tris(glycolato)silicate, a Hexacoordinate Alkoxy Silane Synthesized from SiO2," M.L. Hoppe, R.M. Laine, J. Kampf, M.S. Gordon, and L.W. Burggraf, Angewandte Chemie, 32, 2, 287-289 (1993).
17. "Novel Pentacoordinated Bridged Silicon Anions," L.P. Davis, L.W. Burggraf, and M.S. Gordon, International Journal of Quantum Chemistry, 44, 691-698 (1992).
16. "The Nature of the Si-N Bond in Silatranes," M.S. Gordon, M.T. Carroll, L.P. Davis, L.W. Burggraf, and R.M. Guidry, Organometallics, 10, 2657 (1991).
15. "A New Twist on Pseudorotation," T.L. Windus, M.S. Gordon, L.W. Burggraf, and L.P. Davis, Journal of the American Chemical Society, 113, 5231 (1991).
14. "Hydration of Small Anions: Calculations by the AM1 Semi-Empirical Method," L.P. Davis, L.W. Burggraf, and D.M. Storch, Journal of Computational Chemistry, 12, 350-358 (1991).
13. "The Structure and Stability of Hexacoordinated Sila-Di-Anions," M.S. Gordon, M.T. Carroll, L.P. Davis, and L.W. Burggraf, Journal of Physical Chemistry, 94, 8125 (1990).
12. "A Theoretical Study of Pseudorotation of Pentacoordinated Silicon Anions: The Prototypical SiH5-," M.S. Gordon, T.L. Windus, L.W. Burggraf, and L.P. Davis, Journal of the American Chemical Society, 112, 7167 (1990).
11. "Gas Phase and Computational Studies of Pentacoordinate Silicon," R. Damrauer, L.W. Burggraf, L.P. Davis, and M.S. Gordon, Journal of the American Chemical Society, 110, 6601 (1988).
10. "A Theoretical Study of the Decomposition of Five-Coordinate Silicon Anions," L.P. Davis, L.W. Burggraf, and M.S. Gordon, Journal of the American Chemical Society, 110, 3056 (1988).
9. "Semi-empirical Calculations of Molecular Trajectories: Method and Applications to Some Simple Molecular Systems," J.J.P. Stewart, L.P. Davis, and L.W. Burggraf, Journal of Computational Chemistry, 8, 1117 (1987).
8. "Theoretical Studies of the Reactions XHn ¿ XHn-1- + H+ and XHn-1- + SiH4 ¿ [SiH4XHn-1]-," M.S. Gordon, L.P. Davis, L.W. Burggraf, and R. Damrauer, Journal of the American Chemical Society, 108, 7889 (1986).
7. "A Theoretical Study of Fluorine Atom and Fluoride Ion Attack on Methane and Silane," L.P. Davis, L.W. Burggraf, M.S. Gordon, and K.K. Baldridge, Journal of the American Chemical Society, 107, 4415 (1985).
6. "Infrared and Photoacoustic Spectroscopic Studies of Silica-Immobilized Diketone," D.S. Kendall, D.E. Leyden, L.W. Burggraf, and F.J. Pern, Applied Spectroscopy, 36, 436 (1982).
5. "Fourier Transform Infrared Spectrometry, Carbon-13 Nuclear Magnetic Resonance Spectrometry, and Photoacoustic Spectroscopy of a Silica-Immobilized Ligand," D.E. Leyden, D.S. Kendall, L.W. Burggraf, and F.J. Pern, Analytical Chemistry, 54, 101 (1982).
4. "Photoacoustic Spectroscopy Study of Metal-Support Interactions in Co-Alumina and Ni-Alumina Catalysts," L.W. Burggraf, D.E. Leyden, R.L. Chin, and D.M. Hercules, Journal of Catalysis, 78, 360 (1981).
3. "Photoacoustic Studies of Complexation of Copper (II) with an Ethylenediamine Analog Immobilized on Silica Gel," L.W. Burggraf and D.E. Leyden, Analytica Chimica Acta, 129, 19 (1981).
2. "Quantitative Photoacoustic Spectroscopy of Intensely Light-Scattering Thermally Thick Samples," L.W. Burggraf and D.E. Leyden, Analytical Chemistry, 53, 759 (1981).
1. "Pulse Radiolysis of Liquid n-Pentane and n-Pentane, Oxygen Solutions. Rate Constants and Activation Energies for Second-Order Decay of Pentyl and Pentylperoxy Radicals," L.W. Burggraf and R.F. Firestone, Journal of Physical Chemistry, 78, 508 (1974).
Published Proceedings:
11. "Low Energy Posiron Interactions with Biological Molecules", Bulletin of the American Physical Society, Volume 57, Number 1 (http://meetings.aps.org/link/BAPS.2012.MAR.H30.12)
10. “Developing a sensor, actuator, and nanoskin based on carbon nanotube arrays,” YeoHeung Yun, Vesselin N. Shanov, Swathi Balaji, Yi Tu, Sergey Yarmolenko, Sudhir Neralla, Jag Sankar, Shankar Mall, Jay Lee, Larry W. Burggraf, Guangming Li, Volodymyr P. Sabelkin, and Mark J. Schulz, in SPIE Smart Structures and Materials 2006: Sensors and Smart Structures Technologies for Civil, Mechanical, and Aerospace Systems, Masayoshi Tomizuka, Chung-Bang Yun, and Victor Giurgiutiu, Editors, 61743Z (April 11, 2006).
9. “Special Nuclear Material Imaging using a Germanium Strip Detector,” NBC Report, U.S. Army Nuclear and Chemical Agency, Clifford V. Sulham and Larry W. Burggraf, 34-38, Spring/Summer 2004.
8. “Demonstration of single-sided Compton scatter tomography in fan beams with an HPGe array,” B.L. Evans, J.B. Martin, L.W. Burggraf, and T.N. Hangartner, 2001 IEEE Nuclear Science Symposium Conference Record, IEEE Conference Paper, Vol. 2, 936-9 (2002).
7. "Classification of Infrared Spectra of Organophosphorus Compounds with Artificial Neural Networks," Howard T. Mayfield, DeLyle Eastwood, and Larry W. Burggraf, AFRL-ML-TY-TP-1999-4540 (AFRL Technical Report, 1999).
6. DeLyle Eastwood, Jeffrey B. Martin, Larry W. Burggraf, Dennis S. Rand, Matthew S. Zickafoose, and Dale L. Perry, "Photoluminescence and Vibrational Spectroscopic Studies on Weathered Uranium Oxides," SPIE conference on Environmental Monitoring and Remediation Technologies, Boston, MA, November 1998, SPIE Vol. 3534, 487-495 (1999).
5. "Nondestructive Inspection of Thin, Low-Z Samples Using Multiplexed Compton Scatter Tomography," B.L. Evans, J.B. Martin, and L.W. Burggraf, Proceedings of the Materials Research Society Symposium on November 1997, 503, 297-308 (1998).
4. “Characterization of a Multiplexed Compton Scatter Tomograph for Non-Destructive Inspection of Thin, Low-Z Samples,” B.L. Evans, J.B. Martin, and L.W. Burggraf, 1998 IEEE Nuclear Science Symposium and Medical Imaging Conference, November 1998.
3. “Nondestructive Inspection Using Compton Scatter Tomography,” 1997 Nuclear Science Symposium and Medical Imaging Conference, B.L. Evans, J.B. Martin, L.W. Burggraf, and M.C. Roggemann, pp. 386-390, November 1997.
2. “Laser processing of sol-gel coatings for infrared applications,” G. Li and L.W. Burggraf, SPIE, 3136, 257 (1997).
1. “Photothermal interferometric NIR detection using sol-gel materials,” L.W. Burggraf and G. Li, SPIE, 3082, 30 (1997).
Book chapters authored, edited:
9. “Chemical and biological early warning monitoring for water food and ground,” Editors: J.L Jensen andL.W. Burggraf (Conference - November 2001, Newton, MA), Proceedings: SPIE, The International Society for Optical Engineering, Vol. 4575 (2002), ISBN 0-8194-4303-4.
8. "Neutral and Anionic Hypervalent Silicon Complexes in Silanol Polymerization," L.W. Burggraf, L.P. Davis, and M.S. Gordon, in Ultrastructure Processing of Advanced Materials, D.R. Uhlmann and D.R. Ulrich, eds., p. 47-55 (John Wiley and Sons, Inc., 1992).
7. "Theoretical Studies of Hypervalent Silicon Anions," M.S. Gordon, L.P. Davis, and L.W. Burggraf, in Advances in Gas Phase Ion Chemistry, Vol. 1, p. 203-223 (JAI Press Inc. 1992).
6. "Theoretical Studies of Pentacoordinate Silicon," L.W. Burggraf, L.P. Davis, and M.S. Gordon, in Topics in Physical Organometallic Chemistry, M. Gielen, ed. Vol. 3, p. 75-105 (Freund, London, 1989).
5. "A Theoretical Study of the Silanol Polymerization Mechanism," L.P. Davis and L.W. Burggraf, in Ultrastructure Processing of Advanced Ceramics, J.D. Mackenzie and D.R. Ulrich, eds. p. 367 (John Wiley and Sons, Inc., New York, 1988).
4. "Potentiometric Measurement of Induced Organization in Chemically Modified Silica," L.W. Burggraf, in Silanes, Surfaces, and Interfaces, Volume 2, D.E. Leyden and W.T Collins, eds., p. 567 (Gordon and Breach, New York, 1988).
3. "A Theoretical Study of Silanol Polymerization," L.W. Burggraf and L.P. Davis, in Better Ceramics Through Chemistry II, C.J Brinker, D.E. Clark and D.R. Ulrich, eds. (Materials Research Society Symposia Proceedings, V. 73, p. 529 Materials Research Society, Pittsburgh, 1986).
2. "Application of MNDO to Silicon Chemistry," L.P. Davis and L.W. Burggraf, in Science of Ceramic Processing, L.L. Hench and D.R. Ulrich, eds. p. 400 (Wiley, New York, 1986).
1. "Applications of MNDO Molecular Orbital Calculations to Silanol Polymerization," L.W. Burggraf and L.P. Davis, in Silanes, Surfaces, and Interfaces, D.E. Leyden ed. p.157 (Chemically Modified Surfaces Series 1, Gordon and Breach, 1985).