Journal Articles

• Code 6180 - Navy Technology Center for Safety & Survivability
• Code 6181 - Chemical Sensing and Chemometrics
• Code 6183 - Combustion Modeling and Scaling
• Code 6185 - Combustion Dynamics
• Code 6189 - Theoretical Chemistry

Code 6180

"Flammability of Aerosols Generated By A Rotary Atomizer", Combustion Science and Technology, 179, 1303-1326, 2007

"Middle Distillate Fuel: Straightforward Methods for Improving Quality", Ind. Eng., Chem. Res., 46, 1657-1660 (2007)

"Critical Evaluation of Rotary Atomizer", Petroleum Science and Technology, 24, 1215-1232 (2006)

"Petroleum Based Hydraulic Fluids and Flammability", Petroleum Science and Technology, 24, 1441-1446 (2006)

Code 6181

"Statistical Significance Testing As A Guide to Partial Least-Squares (PLS) Modeling Of Nonideal Data Sets For Fuel Property Predictions", Energy and Fuels, 22, 523-534 (2008)

"Comparison of Two Multiplicative Signal Correction Strategies for Calibration Transfer With Standards". Chemom. and Intel. Lab. Sys. , 92, 33-43 (2008)

"Automated Wavelength Selection for Spectroscopic Fuel Model by Symmetrically Contracting Repeated Unmoving Window Partial Least Squares", Chemom. and Intel. Lab. Sys. , 92, 13-21 (2008)

"The multi-sensory, data fusion detection system for improved situational awareness", ECS Transactions, 11, 16, Sensor Arrays and Multi-Dimensional Sensor Systems, 1-5 (2008)

"Cermet microsensors for fire detection", Sensors and Actuators B, Chemical, 130, 240-248 (2008)

"Detection and classification of gaseous sulfur compounds by solid electrolyte cyclic voltammetry of cermet sensor array", Analytica Chimica Acta, 584 (2007) 78-88

"Volume Sensor for Damage Assessment and Situational Awareness", Fire Safety Journal, 41, 301-310, (2006)

"A Novel Chemical Detector Using Cermet Sensors and Pattern Recognition Methods for Toxic Industrial Chemicals", Sensors and Actuators, B, Chemical, 116, 135-144, (2006)

"Video Image Fire Detection for Shipboard Use", Fire Safety Journal, 41, 321-326 (2006)

"Long Wavelength Video Detection of Fire in Ship Compartments", Fire Safety Journal, 41, 315-320 (2006)

"Evaluating the Predicative Powers of Spectroscopy and Chromatography for Fuel Quality Assessment", Energy and Fuels, 20 727-733, (2006)

"Compound-Specific Isotope Analysis Coupled with Multivariate Statistics to Source-Apportion Hydrocarbon Mixtures", Environmental Science & Technology, 40, 1916-1924 (2006)

"Liquid Phase Oxidation of Jet Fuel at Operational Temperatures", Fuel Sci. International, Vol. 24, 9, 1097 (2006)

Code 6183

"Preliminary Investigations into Methods of Mitigating Hydraulic Fluid Mist Explosions", Fire Safety Journal , 43, 237-240 (2008)

"Dispersed-phase structural anisotropy in homogeneous magnetohydryodynamic turbulence at low magnetic Reynolds number", Physics of Fluids, 20, 025101-1 to 025101-19 (2008)

"Ultra-fine Water Mist Extinction Dynamics of a Co-flow Diffusion flame", Combustion and Science Technology Journal, 180, 1659 (2008)

"Suppression and extinguishment of boundary layer flame over communication cable by ‘gas-like’ water mist in cross-flow", Journal of Fire Sciences, 26, 531 (2008)

"Suppression and Extinguishment of Forced-Flow Boundary Layer Combustion by Ultra Fine Water Mist", Combustion Science and Technology, 179, 1867 (2007)

"Formal constraints on memory management for composite overloaded operations", Scientific Programming, 14, 27-40 (2006)

Code 6185

"Preserving shipboard AFFF fire protection system performance while preventing hydrogen sulfide formation", Fire Technology, 44; 283-295 (2008)

"A Laser Induced Fluorescence Measurement for Aqueous Fluid Flows with Improved Temperature Sensitivity", Experiment in Fluids, 45, 869-881 (2008)

"Laser-Induced Fluorescence Measurements of NCN in Low Pressure CH4/O2/N2 Flames and Its Role in Prompt NO Formation", Combustion and Flame, 153, 465-478 (2008)

"Towards Accurate Kinetic Modeling of Prompt NO Formation in Hydrocarbon Flames via the NCN Pathway", Combustion and Flame, 154, 630-636 (2008)

"A Computational and Experimental Study of Ultra Fine Water Mist as a Total Flooding Agent", Fire Safety Journal, 42 (2007) 150-160

"Preserving Shipboard AFFF Fire Protection System Performance While Preventing Hydrogen Sulfide Formation", Fire Technology, DOI: 10.1007/S10694-007-0032-6

"Simultaneous Diodo Laser Based In Situ Quantification of Oxygen, Carbon Monoxide, Water Vapor and Liquid Water in a Dense Water Mist Environment", Proc. Combust. Inst., 31: 799-806, 2007

"Flow Behavior Impact on the Suppression Effectiveness of sub-10-µm Water Drops in Propane/Air Co-flow Non-Premixed Flames", Proc. Combust. Inst., 31: 2731-2739, 2007

"Experimental and Modeling Study of NO Formation in 10 Torr Methane and Propane Flames: Evidence for Additional Prompt-NO Precursors", Proc. Combust. Inst., 31: 1109-1117, 2007

"Simultaneous diode laser based in situ measurement of liquid water content and oxygen mole fraction in dense water mist environments", Opt. Lett., 31(7), 900-902 (2006)

Code 6189

"Lattice vibrations in single-wall nanotubes", Physical Review B. , 77, 014303 (2008)

"Kinetic Monte Carlo simulation of the Yttria Stabilized Zirconia (YSZ) fuel cell cathode", Solid State Ionics, 179, 1912-1920 (2008)

"Tight-binding energy dispersions of armchair-edge nanostrips", Physical Review B. , 77, 115116 (2008)

"First-Principles Investigation of Anisotropic Constitutive Relationships in Pentaerythritol Tetranitrate", Physical Review B. , 77, 094107 (2008)

"Field Effect on Spin-Polarized Transport in Graphene Nanoribbons", Applied Physics Letters, 92, 163109 (2008)

"Optimization of Analytic Density Functionals By Parallel Genetic Algorithm", Chem. Phys. Lett. , 463, 278-282 (2008)

"Density functional theory calculations of anisotropic constitutive relationships in alpha-cyclotrimethylenetrinitramine", Journal of Applied Physics, 104, 113501 (2008)

"Graphene interferometer",Applied Physics Letters, 93, 122106 (2008)

"Atomic Contributions to Friction and Load for Tip-Surface Interactions", Physical Review B, 78, 35409-1-9 (2008)

"Variational, V-representable and Variable-occupation-number Perturbation Theories", Journal of Chemical Physics 129, 244109-1-8 (2008)

"Theoretical Studies of Anisotropic Constitutive Relationships in Alpha-Cyclotrimethylene Trinitramine (Alpha-RDX)", Journal of Applied Physics 104, 113501 (2008)

"Shear stresses in shock-compressed diamond from density functional theory", Physical Review B 78, 180101(R) (2008)

"Ballistic Transport in Graphene Nanostrips in the Presence of Disorder: Importance of Edge Effects", NANO Letters, Vol. 7, No. 1 203-210 (2007)

"Building Blocks for Integrated Grapheme Circuits", Nano Letters, Vol. 7, No. 11, 3253-3259, November 2007

"Hidden One-Electron Interactions in Carbon Nanotubes Revealed n Graphene Nanostrips", Nano Letters, Vol. 7, No. 3, 825-830, 2007

"Graphene Nanostrip Digital Memory Device", Nano Letters, Vol. 7, No. 12, 3608-3611, 2007

"Semiconducting Grapene Nanostrips with Edge Disorder", Applied Physics Letters, 90, 142104 (2007)

"Altering low-bias transport in zigzag-edge graphene nanostrips with edge chemistry", Applied Physics Letters, 91, 112108 (2007), American Institute of Physics

"Alternative perspective on density-functional perturbation theory", Physical Review A, 76, 06251-1-7 (2007) American Institute of Physics

"Anisotropic constitutive relationships in energetic materials: nitromethane and RDX", AIPCP, 955, 401 (2007)

"First principles reactive molecular dynamics of initiation chemistry in energetic materials", AIPCP, 955, 447 (2007)

"Anisotropic constitutive relationships in energetic materials: PETN and HMX", AIPCP, 955, 361 (2007)

"Molecular Dynamics Simulations of an Anomlous Response of Diamond To Shock Compression", AIPCP, 955, 321 (2007)

"The limitation of Slater’s element-dependent functional from analytical density – functional theory", J. Chem. Phys, AIP, 124, 044107 (2006)

"Radial-Breathing Mode Frequencies for Single-Wall Carbon Nonotubes of Arbitrary Chirality: First-Principles Calculations", Physical Review B, 72, 233-403 (2006)

"Helical Strain in Carbon Nanotubes: Speeds of Sound and Ration from First-principles", Phys. Review B, 74, 125415APS (2006)

"Multi-configuration time-dependent Hartree method applied to molecular dissociation on surfaces: H2 + Pt(111)", J. Chem. Phys., 124, 074-706-1 (2006)

"Efficient Quantum-Chemical Geometry Optimization and the Structure of Large Icosahedral Fullerenes"” Chem. Phys. Lett., 422, 451-454 (2006)

"Dipole moments from atomic-number dependent potentials in analytic density-functional theory", J. Chem. Phys., 125, 214104-1-9 (2006)

"Material contained herein is made available for the purpose of peer review and discussion and does not necessarily reflect the views of the Department of the Navy or the Department of Defense."