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Air Force Institute of Technology

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Articles 1201 - 1230 of 2678

Full-Text Articles in Physical Sciences and Mathematics

An Analytical Model Of Nanometer Scale Viscoelastic Properties Of Polymer Surfaces Measured Using An Atomic Force Microscope, Jacob B. Goldberg Mar 2011

An Analytical Model Of Nanometer Scale Viscoelastic Properties Of Polymer Surfaces Measured Using An Atomic Force Microscope, Jacob B. Goldberg

Theses and Dissertations

The United States Air Force and the Department of Defense is increasingly interested in nanomaterials. To study these materials, one needs to measure the mechanics of materials on the nanoscale. Over the past few decades the atomic force microscope (AFM) has been used in various methods to establish local surface properties at the nanoscale. In particular, surface elasticity measurements are crucial to understanding nanoscale surface properties. Problems arise, however, when measuring soft surfaces such as polymers and biological specimens, because these materials have a more complex viscoelastic response. This research focuses on modeling an AFM dynamic nanoindentation experiment intended to …


Modeling Of Bacillus Spores: Inactivation And Outgrowth, Alexis X. Hurst Mar 2011

Modeling Of Bacillus Spores: Inactivation And Outgrowth, Alexis X. Hurst

Theses and Dissertations

This research models and analyzes the thermochemical damage produced in Bacillus spores by short, high-temperature exposures as well the repair process within damaged Bacillus spores. Thermochemical damage in spores is significantly due to reaction with water, hydrolysis reactions. Applying heat to the spore causes absorbed and chemically bound water molecules become mobile within the spore. These mobile water molecules react by hydrolysis reactions to degrade DNA and enzyme molecules in the spore. In order to survive the thermal inactivation, the spore must repair the damaged DNA during spore germination. The DNA repair process, as well as other germination functions, is …


Understanding The Influence Of Turbulence In Imaging Fourier-Transform Spectrometry Of Smokestack Plumes, Jennifer L. Massman Mar 2011

Understanding The Influence Of Turbulence In Imaging Fourier-Transform Spectrometry Of Smokestack Plumes, Jennifer L. Massman

Theses and Dissertations

An imaging Fourier-transform spectrometer (IFTS) was used to collect infrared hyper-spectral imagery of smokestack plume of a coal-burning power facility to assess the influence of turbulence on spectral retrieval of temperature (T) and pollutant concentrations (Ci). Radiance fluctuations due to plume turbulence introduced scene change artifacts (SCA) in the spectra. Time-averaging the spectra minimizes SCA magnitudes, but accurate T and Ci retrieval would require a priori knowledge of the statistical distribution of temperature and other stochastic flow field parameters. A method of quantile sorting in interferogram space that would allow the retrieval of the temperature distribution is …


Polarimetric Enhancements To Electro-Optical Aided Navigation Techniques, Jeremiah D. Johnson Mar 2011

Polarimetric Enhancements To Electro-Optical Aided Navigation Techniques, Jeremiah D. Johnson

Theses and Dissertations

Navigation in indoor and urban environments by small unmanned systems is a topic of interest for the Air Force. The Advanced Navigation Technology Center at the Air Force Institute of Technology is continually looking for novel approaches to navigation in GPS deprived environments. Inertial sensors have been coupled with image aided concepts, such as feature tracking, with good results. However, feature density in areas with large, flat, smooth surfaces tends to be low. Polarimetric sensors have been used for surface reconstruction, surface characterization and outdoor navigation. This thesis combines aspects of some of these algorithms along with a realistic, micro-facet …


Determining Solution Space Characteristics For Real-Time Strategy Games And Characterizing Winning Strategies, Gary B. Lamont, Kurt Weissgerber, Brett J. Borghetti, Gilbert L. Peterson Mar 2011

Determining Solution Space Characteristics For Real-Time Strategy Games And Characterizing Winning Strategies, Gary B. Lamont, Kurt Weissgerber, Brett J. Borghetti, Gilbert L. Peterson

Faculty Publications

The underlying goal of a competing agent in a discrete real-time strategy (RTS) game is to defeat an adversary. Strategic agents or participants must define an a priori plan to maneuver their resources in order to destroy the adversary and the adversary's resources as well as secure physical regions of the environment. This a priori plan can be generated by leveraging collected historical knowledge about the environment. This knowledge is then employed in the generation of a classification model for real-time decision-making in the RTS domain. The best way to generate a classification model for a complex problem domain depends …


Energy Scaling Of Nanosecond Gain-Switched Cr2+:Znse Lasers, Vladimir V. Fedorov, Igor S. Moskalev, M. S. Mirov, S. B. Mirov, Torrey J. Wagner, Matthew J. Bohn, Patrick A. Berry, K. L. Schepler Feb 2011

Energy Scaling Of Nanosecond Gain-Switched Cr2+:Znse Lasers, Vladimir V. Fedorov, Igor S. Moskalev, M. S. Mirov, S. B. Mirov, Torrey J. Wagner, Matthew J. Bohn, Patrick A. Berry, K. L. Schepler

Faculty Publications

In this paper, we report record nanosecond output energies of gain-switched CrZnSe lasers pumped by Q-switched CrTmHoYAG 100 ns at 2.096 microns and Raman shifted NdYAG lasers 7 ns at 1.906 microns. In these experiments we used Brewster cut CrZnSe gain elements with a chromium concentration of 8x1018cm-3. Under CrTmHoYAG pumping, the first CrZnSe laser demonstrated 3.1 mJ of output energy, 52 slope efficiency and 110 nm linewidth centered at a wavelength of 2.47 microns. Maximum output energy of the second CrZnSe laser reached 10.1 mJ under H2 Raman shifted NdYAG laser pumping. The slope …


Kinetic Solution Of The Structure Of A Shock Wave In A Nonreactive Gas Mixture, Eswar Josyula, Prakash Vedula, William F. Bailey, Casmir J. Suchyta Iii Jan 2011

Kinetic Solution Of The Structure Of A Shock Wave In A Nonreactive Gas Mixture, Eswar Josyula, Prakash Vedula, William F. Bailey, Casmir J. Suchyta Iii

Faculty Publications

The multispecies Boltzmann equation is numerically integrated to characterize the internal structure of a Mach 3 shock wave in a hard sphere gas. The collision integral is evaluated by the conservative discrete ordinate method [F. G. Tcheremissine, Comput. Math. Math. Phys. 46, 315 (2006)]. There was excellent agreement of macroscopic variables [Kosuge et al., Eur. J. Mech. B/Fluids 20, 87 (2001)]. The effect of species concentration and mass ratio on the behavior of macroscopic variables and distribution functions in the structure of the shock wave is considered for both two- and three-species gas mixtures. In a binary mixture of gases …


Real-Time Behavior-Based Robot Control, Brian G. Wooley, Gilbert L. Peterson, Jared T. Kresge Jan 2011

Real-Time Behavior-Based Robot Control, Brian G. Wooley, Gilbert L. Peterson, Jared T. Kresge

Faculty Publications

Behavior-based systems form the basis of autonomous control for many robots, but there is a need to ensure these systems respond in a timely manner. Unexpected latency can adversely affect the quality of an autonomous system’s operations, which in turn can affect lives and property in the real-world. A robots ability to detect and handle external events is paramount to providing safe and dependable operation. This paper presents a concurrent version of a behavior-based system called the Real-Time Unified Behavior Framework, which establishes a responsive basis of behavior-based control that does not bind the system developer to any single behavior …


Tunable Optical Delay In Doppler-Broadened Cesium Vapor, Monte D. Anderson Dec 2010

Tunable Optical Delay In Doppler-Broadened Cesium Vapor, Monte D. Anderson

Theses and Dissertations

Variable-delay tunable optical delay line or optical buffers are critical for the development of all-optical networks components as well as interferometry and analytic instruments. Recent research on slow light may hold the key for the development of the first practical tunable optical delay device. In this research the linear dispersion delay effects in an alkali vapor. The hyperfine relaxation observations present insight into the complex bleach wave dynamics during a high-intensity pulsed pump in DPAL systems.


Scattering Matrix Elements For The Nonadiabatic Collision B (2PJ) + H2 (1Σ+G, Ν, Ј) ↔ B (2PJ’) + H2 (1Σ+G, Ν’, J’), Luke A. Barger Dec 2010

Scattering Matrix Elements For The Nonadiabatic Collision B (2PJₐ) + H2 (1Σ+G, Ν, Ј) ↔ B (2PJ’ₐ) + H2 (1Σ+G, Ν’, J’), Luke A. Barger

Theses and Dissertations

Scattering matrix elements are calculated for the nonadiabatic inelastic collision B (2Pj) + H2 (1Σ+g, ν, ј) ↔ B (2Pj’) + H2 (1Σ+g, ν’, j’). This calculation utilizes the effective potential energy surfaces for this collision generated by Garvin along with a correction to the asymptotic H2 potential. Wavepackets are propagated on these surfaces using a split-operator propagator. This propagation yields correlation functions between reactant and product Møller states which are used to calculate the scattering …


Electronic Image Stabilization Using Optical Flow With Inertial Fusion, Michael J. Smith, Alexander J. Boxerbaum, Gilbert L. Peterson, Roger D. Quinn Oct 2010

Electronic Image Stabilization Using Optical Flow With Inertial Fusion, Michael J. Smith, Alexander J. Boxerbaum, Gilbert L. Peterson, Roger D. Quinn

Faculty Publications

When a camera is affixed on a dynamic mobile robot, image stabilization is the first step towards more complex analysis on the video feed. This paper presents a novel electronic image stabilization (EIS) algorithm for highly dynamic mobile robotic platforms. The algorithm combines optical flow motion parameter estimation with angular rate data provided by a strapdown inertial measurement unit (IMU). A discrete Kalman filter in feedforward configuration is used for optimal fusion of the two data sources. Performance evaluations are conducted using a simulated video truth model (capturing the effects of image translation, rotation, blurring, and moving objects), and live …


Measurement And Modeling Of Infrared Nonlinear Absorption Coefficients And Laser-Induced Damage Thresholds In Ge And Gasb, Torrey J. Wagner, Matthew J. Bohn, Ronald A. Coutu Jr., L. P. Gonzales, J. M. Murray, K. L. Schepler, S. Guha Oct 2010

Measurement And Modeling Of Infrared Nonlinear Absorption Coefficients And Laser-Induced Damage Thresholds In Ge And Gasb, Torrey J. Wagner, Matthew J. Bohn, Ronald A. Coutu Jr., L. P. Gonzales, J. M. Murray, K. L. Schepler, S. Guha

Faculty Publications

Using a simultaneous fitting technique to extract nonlinear absorption coefficients from data at two pulse widths, we measure two-photon and free-carrier absorption coefficients for Ge and GaSb at 2.05 and 2.5 µm for the first time, to our knowledge. Results agreed well with published theory. Single-shot damage thresholds were also measured at 2.5 µm and agreed well with modeled thresholds using experimentally determined parameters including nonlinear absorption coefficients and temperature dependent linear absorption. The damage threshold for a single-layer Al2O3 anti-reflective coating on Ge was 55% or 35% lower than the uncoated threshold for picosecond or nanosecond …


Collisional Dynamics Of The Cesium D1 And D2 Transitions, Greg A. Pitz Sep 2010

Collisional Dynamics Of The Cesium D1 And D2 Transitions, Greg A. Pitz

Theses and Dissertations

The collisional dynamics of the 62P levels in cesium have been studied utilizing steady state laser absorption and laser induced florescence techniques. In addition the production of a blue beam produced by two photon absorption has been observed in potassium. The collisional broadening rate for cesium, λL, for He, Ne, Ar, Kr, Xe, N2, H2, HD, D2, CH4, C2H6, CF4, and 3He are 24.13, 10.85, 18.31, 17.82, 19.74, 16.64, 20.81, 20.06, 18.04, 29.00, 26.70, 18.84, and 26.00 MHz/torr, respectively for the …


Statistical Image Recovery From Laser Speckle Patterns With Polarization Diversity, Donald B. Dixon Sep 2010

Statistical Image Recovery From Laser Speckle Patterns With Polarization Diversity, Donald B. Dixon

Theses and Dissertations

This research extends the theory and understanding of the laser speckle imaging technique. This non-traditional imaging technique may be employed to improve space situational awareness and image deep space objects from a ground-based sensor system. The use of this technique is motivated by the ability to overcome aperture size limitations and the distortion effects from Earth’s atmosphere. Laser speckle imaging is a lensless, coherent method for forming two-dimensional images from their autocorrelation functions. Phase retrieval from autocorrelation data is an ill-posed problem where multiple solutions exist. This research introduces polarization diversity as a method for obtaining additional information so the …


Code White: A Signed Code Protection Mechanism For Smartphones, Joseph M. Hinson Iv Sep 2010

Code White: A Signed Code Protection Mechanism For Smartphones, Joseph M. Hinson Iv

Theses and Dissertations

This research develops Code White, a hardware-implemented trusted execution mechanism for the Symbian mobile operating system. Code White combines a signed whitelist approach with the execution prevention technology offered by the ARM architecture. Testing shows that it prevents all untrusted user applications from executing while allowing all trusted applications to load and run. Performance testing in contrast with an unmodified Symbian system shows that the difference in load time increases linearly as the application file size increases. The predicted load time for an application with a one megabyte code section remains well below one second, ensuring uninterrupted experience for the …


Accelerating Malware Detection Via A Graphics Processing Unit, Nicholas S. Kovach Sep 2010

Accelerating Malware Detection Via A Graphics Processing Unit, Nicholas S. Kovach

Theses and Dissertations

Real-time malware analysis requires processing large amounts of data storage to look for suspicious files. This is a time consuming process that (requires a large amount of processing power) often affecting other applications running on a personal computer. This research investigates the viability of using Graphic Processing Units (GPUs), present in many personal computers, to distribute the workload normally processed by the standard Central Processing Unit (CPU). Three experiments are conducted using an industry standard GPU, the NVIDIA GeForce 9500 GT card. The goal of the first experiment is to find the optimal number of threads per block for calculating …


Hijacking User Uploads To Online Persistent Data Repositories For Covert Data Exfiltration, Curtis P. Barnard Sep 2010

Hijacking User Uploads To Online Persistent Data Repositories For Covert Data Exfiltration, Curtis P. Barnard

Theses and Dissertations

As malware has evolved over the years, it has gone from harmless programs that copy themselves into other executables to modern day botnets that perform bank fraud and identity theft. Modern malware often has a need to communicate back to the author, or other machines that are also infected. Several techniques for transmitting this data covertly have been developed over the years which vary significantly in their level of sophistication. This research creates a new covert channel technique for stealing information from a network by piggybacking on user-generated network traffic. Specifically, steganography drop boxes and passive covert channels are merged …


Reputation-Based Internet Protocol Security: A Multilayer Security Framework For Mobil Ad Hoc Networks, Timothy H. Lacey Sep 2010

Reputation-Based Internet Protocol Security: A Multilayer Security Framework For Mobil Ad Hoc Networks, Timothy H. Lacey

Theses and Dissertations

This research effort examines the theory, application, and results for a Reputation-based Internet Protocol Security (RIPSec) framework that provides security for an ad-hoc network operating in a hostile environment. In RIPSec, protection from external threats is provided in the form of encrypted communication links and encryption-wrapped nodes while internal threats are mitigated by behavior grading that assigns reputations to nodes based on their demonstrated participation in the routing process. Network availability is provided by behavior grading and round-robin multipath routing. If a node behaves faithfully, it earns a positive reputation over time. If a node misbehaves (for any number of …


Consistency Properties For Growth Model Parameters Under An Infill Asymptotics Domain, David T. Mills Sep 2010

Consistency Properties For Growth Model Parameters Under An Infill Asymptotics Domain, David T. Mills

Theses and Dissertations

Growth curves are used to model various processes, and are often seen in biological and agricultural studies. Underlying assumptions of many studies are that the process may be sampled forever, and that samples are statistically independent. We instead consider the case where sampling occurs in a finite domain, so that increased sampling forces samples closer together, and also assume a distance-based covariance function. We first prove that, under certain conditions, the mean parameter of a fixed-mean model cannot be estimated within a finite domain. We then numerically consider more complex growth curves, examining sample sizes, sample spacing, and quality of …


Laser Demonstration And Performance Characterization Of An Optically Pumped Alkali Laser System, Clifford V. Sulham Sep 2010

Laser Demonstration And Performance Characterization Of An Optically Pumped Alkali Laser System, Clifford V. Sulham

Theses and Dissertations

Diode Pumped Alkali Lasers (DPALs) offer a promising approach for high power lasers in military applications that will not suffer from the long logistical trails of chemical lasers or the thermal management issues of diode pumped solid state lasers. This research focuses on characterizing a DPAL-type system to gain a better understanding of using this type of laser as a directed energy weapon. A rubidium laser operating at 795 nm is optically pumped by a pulsed titanium sapphire laser to investigate the dynamics of DPALs at pump intensities between 1.3 and 45 kW/cm2. Linear scaling as high as …


Determining The Index Of Refraction Of An Unknown Object Using Passive Polarimetric Imagery Degraded By Atmospheric Turbulence, Milo W. Hyde Iv Sep 2010

Determining The Index Of Refraction Of An Unknown Object Using Passive Polarimetric Imagery Degraded By Atmospheric Turbulence, Milo W. Hyde Iv

Theses and Dissertations

In this research, an algorithm is developed to estimate the index of refraction of an unknown object using passive polarimetric images degraded by atmospheric turbulence. The algorithm uses a variant of the maximum-likelihood blind-deconvolution algorithm developed by LeMaster and Cain to recover the true object (i.e., the first Stokes parameter), the degree of linear polarization, and the polarimetric-image point spread functions. Nonlinear least squares is then used to find the value of the complex index of refraction which best fits the theoretical degree of linear polarization, derived using a polarimetric bidirectional reflectance distribution function, to the turbulence-corrected degree of linear …


Cyber Situational Awareness Using Live Hypervisor-Based Virtual Machine Introspection, Dustyn A. Dodge Sep 2010

Cyber Situational Awareness Using Live Hypervisor-Based Virtual Machine Introspection, Dustyn A. Dodge

Theses and Dissertations

In this research, a compiled memory analysis tool for virtualization (CMAT-V) is developed as a virtual machine introspection (VMI) utility to conduct live analysis during cyber attacks. CMAT-V leverages static memory dump analysis techniques to provide live dynamic system state data. Unlike some VMI applications, CMAT-V bridges the semantic gap using derivation techniques. CMAT-V detects Windows-based operating systems and uses the Microsoft Symbol Server to provide this context to the user. This research demonstrates the usefulness of CMAT-V as a situational awareness tool during cyber attacks, tests the detection of CMAT-V from the guest system level and measures its impact …


A Comparative Analysis Of Ascii And Xml Logging Systems, Eric C. Hanington Sep 2010

A Comparative Analysis Of Ascii And Xml Logging Systems, Eric C. Hanington

Theses and Dissertations

This research compares XML and ASCII based event logging systems in terms of their storage and processing efficiency. XML has been an emerging technology, even for security. Therefore, it is researched as a logging system with the mitigation of its verbosity. Each system consists of source content, the network transmission, database storage, and querying which are all studied as individual parts. The ASCII logging system consists of the text file as source, FTP as transport, and a relational database system for storage and querying. The XML system has the XML files and XML files in binary form using Efficient XML …


Neural Extensions To Robust Parameter Design, Bernard Jacob Loeffelholz Sep 2010

Neural Extensions To Robust Parameter Design, Bernard Jacob Loeffelholz

Theses and Dissertations

Robust parameter design (RPD) is implemented in systems in which a user wants to minimize the variance of a system response caused by uncontrollable factors while obtaining a consistent and reliable system response over time. We propose the use of artificial neural networks to compensate for highly non-linear problems that quadratic regression fails to accurately model. RPD is conducted under the assumption that the relationship between system response and controllable and uncontrollable variables does not change over time. We propose a methodology to find a new set of settings that will be robust to moderate system degradation while remaining robust …


All Solid-State Mid-Ir Laser Development, Nonlinear Absorption Investigation And Laser-Induced Damage Study, Torrey J. Wagner Sep 2010

All Solid-State Mid-Ir Laser Development, Nonlinear Absorption Investigation And Laser-Induced Damage Study, Torrey J. Wagner

Theses and Dissertations

In this research, nonlinear optical absorption coefficients and laser-induced damage thresholds are measured in Ge and GaSb, which are materials that are used in IR detectors. Using a simultaneous fitting technique to extract nonlinear absorption coefficients from data at two pulse widths, two-photon and free-carrier absorption coefficients are measured in Ge and GaSb at 2.05 and 2.5 μm for the first time. At these wavelengths, nonlinear absorption is the primary damage mechanism, and damage thresholds at picosecond and nanosecond pulse widths were measured and agreed well with modeled thresholds using experimentally measured parameters. The damage threshold for a single-layer Al …


Analytical Solutions For Efficient Interpretation Of Single-Well Push-Pull Tracer Tests, Junqi Huang, John A. Christ, Mark N. Goltz Aug 2010

Analytical Solutions For Efficient Interpretation Of Single-Well Push-Pull Tracer Tests, Junqi Huang, John A. Christ, Mark N. Goltz

Faculty Publications

Single-well push-pull tracer tests have been used to characterize the extent, fate, and transport of subsurface contamination. Analytical solutions provide one alternative for interpreting test results. In this work, an exact analytical solution to two-dimensional equations describing the governing processes acting on a dissolved compound during a modified push-pull test (advection, longitudinal and transverse dispersion, first-order decay, and rate-limited sorption/partitioning in steady, divergent, and convergent flow fields) is developed. The coupling of this solution with inverse modeling to estimate aquifer parameters provides an efficient methodology for subsurface characterization. Synthetic data for single-well push-pull tests are employed to demonstrate the utility …


Malware Type Recognition And Cyber Situational Awareness, Thomas Dube, Richard A. Raines, Gilbert L. Peterson, Kenneth W. Bauer, Michael R. Grimaila, Steven K. Rogers Aug 2010

Malware Type Recognition And Cyber Situational Awareness, Thomas Dube, Richard A. Raines, Gilbert L. Peterson, Kenneth W. Bauer, Michael R. Grimaila, Steven K. Rogers

Faculty Publications

Current technologies for computer network and host defense do not provide suitable information to support strategic and tactical decision making processes. Although pattern-based malware detection is an active research area, the additional context of the type of malware can improve cyber situational awareness. This additional context is an indicator of threat capability thus allowing organizations to assess information losses and focus response actions appropriately. Malware Type Recognition (MaTR) is a research initiative extending detection technologies to provide the additional context of malware types using only static heuristics. Test results with MaTR demonstrate over a 99% accurate detection rate and 59% …


Simulating Windows-Based Cyber Attacks Using Live Virtual Machine Introspection, Dustyn A. Dodge, Barry E. Mullins, Gilbert L. Peterson, James S. Okolica Jul 2010

Simulating Windows-Based Cyber Attacks Using Live Virtual Machine Introspection, Dustyn A. Dodge, Barry E. Mullins, Gilbert L. Peterson, James S. Okolica

Faculty Publications

Static memory analysis has been proven a valuable technique for digital forensics. However, the memory capture technique halts the system causing the loss of important dynamic system data. As a result, live analysis techniques have emerged to complement static analysis. In this paper, a compiled memory analysis tool for virtualization (CMAT-V) is presented as a virtual machine introspection (VMI) utility to conduct live analysis during simulated cyber attacks. CMAT-V leverages static memory dump analysis techniques to provide live system state awareness. CMAT-V parses an arbitrary memory dump from a simulated guest operating system (OS) to extract user information, network usage, …


Developing A Hybrid Virtualization Platform Design For Cyber Warfare And Simulation, Kyle E. Stewart Jun 2010

Developing A Hybrid Virtualization Platform Design For Cyber Warfare And Simulation, Kyle E. Stewart

Theses and Dissertations

Virtualization is a technique used to model and simulate the cyber domain, as well as train and educate. Different types of virtualization techniques exist that each support a unique set of benefits and requirements. This research proposes a novel design that incorporates host and network virtualization concepts for a cyber warfare training platform. At the host level, hybrid virtualization combines full and operating system virtualization techniques in order to leverage the benefits and minimize the drawbacks of each individual technique. Network virtualization allows virtual machines to connect in flexible topologies, but it also incurs additional processing overhead. Quantitative analysis falls …


Electronic Structure Of Lithium Tetraborate, David J. Wooten Jun 2010

Electronic Structure Of Lithium Tetraborate, David J. Wooten

Theses and Dissertations

Due to interest as neutron detection material, an investigation of Li2B4O7(110) and Li2B4O7(100) was undertaken, utilizing photoemission and inverse photoemission spectroscopic techniques. The measured band gap depended on crystallographic direction with the band gaps ranging from 8.9±0.5 eV to 10.1±0.5 eV. The measurement yielded a density of states that qualitatively agreed with the theoretical results from model bulk band structure calculations for Li2B4O7; albeit with a larger band gap than predicted, but consistent with the known deficiencies of LDA and DFT calculations. …