Publications

A differential system that models the circadian rhythm in Drosophila is analyzed with the computational singular perturbation (CSP) algorithm. Reduced nonstiff models of prespecified accuracy are constructed, the form and size of which are time-dependent. When compared with conventional asymptotic analysis, CSP exhibits superior performance in constructing reduced models, since it can algorithmically identify and apply all the required order of magnitude estimates and algebraic manipulations. A similar performance is demonstrated by CSP in generating data that allow for the acquisition of physical understanding. It is shown that the processes driving the circadian cycle are (i) mRNA translation into monomer protein, and monomer protein destruction by phosphorylation and degradation (along the largest portion of the cycle); and (ii) mRNA synthesis (along a short portion of the cycle). These are slow processes. Their action in driving the cycle is allowed by the equilibration of the fastest processes; (1) the monomer dimerization with the dimer dissociation (along the largest portion of the cycle); and (2) the net production of monomer+dimmer proteins with that of mRNA (along the short portion of the cycle). Additional results (regarding the time scales of the established equilibria, their origin, the rate limiting steps, the couplings among the variables, etc.) highlight the utility of CSP for automated identification of the important underlying dynamical features, otherwise accessible only for simple systems whose various suitable simplifications can easily be recognized. © 2006 Society for Industrial and Applied Mathematics.

When a micro cantilever beam is excited by base shaking, electrostatic force makes the tip displacement response nonlinear with respect to the base acceleration input. This paper derives a single-degree-of-freedom model for the deflection in a micro cantilever due to electrostatic voltage for this excitation. The tip deflection due to electrostatic force is derived first as part of the total tip deflection, and then in terms of an equivalent base excitation. The relationship between electrostatic deflection and equivalent base excitation is determined numerically, but can be represented accurately by a simple curve-fit function.

Electroslag Remelting (ESR) is a complex process used to produce high quality specialty alloy materials. The quality can be directly correlated to variances in melt rate and immersion depth. Conventional ESR furnaces control these quantities using two independent control loops using proportional changes in current for melt rate and driving the electrode up and down to match a voltage set point for immersion depth. However it is well known that the control loops are highly coupled, i.e. changing the current to account for melt rate deviations changes the voltage depth relationship and vice verse. In addition the noise in measurements of the ESR process can be considerable, forcing conventional controllers to use highly damped responses. A new model-based controller has been developed to embody the coupling and improve responsiveness by using estimates from a reduced-order linear ESR model and the typical process measurements to control melt rate and immersion depth simultaneously. Kalman filtering is used to optimally combine the model estimates of eight process states and the measurements of voltage, current, position and mass to estimate the instantaneous melt rate and immersion depth. Several ESR melts under steady state and transient conditions were conducted to evaluate the performance of the new controller. This paper will discuss the design of the new ESR model and controller and will present experimental results demonstrating its much improved control and responsiveness. While this controller was developed for the ESR process, the effectiveness of model-based control in managing such a complex process with relatively simple equations suggests the approach could be employed for many other processes as well.

The counter-rotating-ring receiver/reactor/recuperator (CR5) solar thermochemical heat engine is a new concept for production of hydrogen that allows for thermal recuperation between solids in an efficient counter-current arrangement. At the heart of the CR5 system are annular rings of a reactive solid ferrite that are thermally and chemically cycled to produce oxygen and hydrogen from water in separate and isolated steps. This design is very demanding from a materials point of view. The ferrite rings must maintain structural integrity and high reactivity after months of thermal cycling and exposure to temperatures in excess of 1100°C. In addition, the design of the rings must have high geometric surface area for gas-solid contact and for adsorption of incident solar radiation. After performing a series of initial screenings, we chose Co0.67Fe2.33O4 as our baseline working material for a planned demonstration of CR5 and have begun additional characterization and development of this material. Our results to date with powders are consistent with the expectation that small particle sizes and the application of a support to inhibit ferrite sintering and enhance the chemistry are critical considerations for a practical operating device. Concurrent with the powder studies, we are using Robocasting, a Sandia-developed technique for free form processing of ceramics, to manufacture monolithic structures with complex three-dimensional geometries for chemical, physical, and mechanical evaluation. We have demonstrated that ferrite/zirconia mixtures can be fabricated into small three-dimensional monolithic lattice structures that give reproducible hydrogen yields over multiple cycles. Copyright © 2006 by ASME.

Sandia has conducted a number of tests in search of conformal coating products that function acceptably at 225°C or higher. This paper documents the work associated with the initial testing of organic and organic-inorganic materials for this purpose and provides information on materials found which failed initial testing and those materials which show promise. The report also provides insight into our testing process, which is designed to represent the wellbore environment. Copyright © 2006 International Microelectronics And Packaging Society.

This paper 1 develops a novel control system design methodology that uniquely combines: concepts from thermodynamic exergy and entropy; Hamiltonian systems; Lyapunov's direct method and Lyapunov optimal analysis; electric AC power concepts; and power flow analysis. Relationships are derived between exergy/entropy and Lyapunov optimal functions for Hamiltonian systems. The methodology is demonstrated with two fundamental numerical simulation examples: 1) a Duffing oscillator/Coulomb friction nonlinear model that employs PID regulator control and 2) a van der Pol nonlinear oscillator system. The control system performances and/or appropriately identified terms are partitioned and evaluated based on exergy generation and exergy dissipation terms. This novel nonlinear control methodology results in both necessary and sufficient conditions for stability of nonlinear systems.

A series of pressurized sulfuric acid decomposition tests are being performed to (1) obtain data on the fraction of sulfuric acid catalytically converted to sulfur dioxide, oxygen, and water as a function of temperature and pressure, (2) demonstrate real-time measurements of acid conversion for use as process control in the Sulfur-Iodine (SI) thermochemical cycle, and (3) obtain multiple measurements of conversion as a function of temperature within a single experiment. Acid conversion data are presented at pressures of 6 and 11 bars in the temperature range of 750 - 875 °C. The design for an acid decomposer section with heat and mass recovery of undecomposed acid using a direct contact heat exchanger are presented.

An investigation was conducted into factors that effect impedance for a 2.5 MV gas switch. The switch studied was Rimfire, the workhorse gas switch topology for many of Sandia's large accelerators. The geometry of the switch investigated consists of multiple self-break gaps in series with a laser triggered main gap. The switch is situated within a coaxial-like ground return structure. In this geometry there are three avenues that are theoretically possible for reducing switch impedance. They are 1) increasing the number of parallel current sharing channels (multichanneling), 2) decreasing the ratio of radii of the outer to inner conductors, and/or 3) decreasing the length. It was experimentally determined what effects the first two factors have on switch impedance and the results are presented in this work. It was discovered that multichanneling and radii ratio have substantially lesser effects on impedance, when compared to the theoretical effects of a reduction in switch length. This leaves reduction in length as the only remaining significant viable option for reduction of impedance in megavolt multigap switches, which has substantial consequences for the future design of multigap switches. ©2006 IEEE.

Three dimensional finite element analyses were performed to evaluate the structural integrity of SPR caverns located at the Big Hill site. These state-of-the-art analyses simulate the current site configuration with the addition of five caverns to produce an expanded facility. The model simulates 19 caverns in a systematic pattern with equal spacing and uniform cavern size and geometry. Operations, including both cavern workover and cavern enlargement due to leaching, were modeled to account for as many as five future oil drawdowns. The web of salt separating the caverns was reduced due to leaching. The impacts on cavern stability, underground creep closure, surface subsidence, infrastructure, and well integrity were quantified. The analyses include a recently derived damage criterion obtained from laboratory testing of Big Hill salt cores. From a structural viewpoint, the caverns were found to be stable. The thick caprock at Big Hill mitigated the predicted subsidence rates and damage to surface structures is not expected to occur. © 2006, ARMA, American Rock Mechanics Association.

We report on colloidal synthesis of InP and InN nanocrystals (NCs) from organometallic precursors in a noncoordinating solvent using myristic acid as a ligand. The results of NC structural and optical characterization are presented. © 2006 Optical Society of America.

Acoustic wave propagation in a three-dimensional atmosphere that is spatially heterogeneous, time-varying, and/or moving is accurately simulated with a numerical algorithm recently developed under the DOD Common High Performance Computing Software Support Initiative (CHSSI). Sound waves within such a dynamic environment are mathematically described by a set of four, coupled, first-order partial differential equations governing small-amplitude fluctuations in pressure and particle velocity. The system is rigorously derived from fundamental principles of continuum mechanics, ideal-fluid constitutive relations, and reasonable assumptions that the ambient atmospheric motion is adiabatic and divergence-free. An explicit, finite-difference time-domain (FDTD) numerical scheme is used to solve the system for both pressure and particle velocity wavefields. Dependent variables are stored on staggered spatial and temporal grids, and centered FDTD operators possess 2nd-order and 4th-order space/time accuracy. We first present results of a test that shows the accuracy of our algorithm by comparison with analytic formulations. We then present a contrast and comparison of the sound character at a series of distances from a point source activated with a causal source. We are able to investigate the effects of turbulence, complex meteorology (including wind effects), a topographically variable ground surface, and a partially reflective ground surface.

A series of pressurized sulfuric acid decomposition tests are being performed to (1) obtain data on the fraction of sulfuric acid catalytically converted to sulfur dioxide, oxygen, and water as a function of temperature and pressure, (2) demonstrate real-time measurements of acid conversion for use as process control in the Sulfur-Iodine (SI) thermochemical cycle, and (3) obtain multiple measurements of conversion as a function of temperature within a single experiment. Acid conversion data are presented at pressures of 6 and 11 bars in the temperature range of 750 - 875 °C. The design for an acid decomposer section with heat and mass recovery of undecomposed acid using a direct contact heat exchanger are presented.

Laser Engineered Net-shaping (LENS®) can directly manufacture near net shape metallic components from CAD files. The thermal history associated with LENS® process, which involves numerous reheating cycles, is critical to the microstructural evolution and mechanical properties of the LENS® fabricated parts. In this paper, the surface morphology of as-atomized PH13-8Mo steel powder is characterized; Variation of the height of deposited materials with process parameters is measured; Microhardness and tensile tests are carried out to evaluate the mechanical performance of LENS® deposited PH13-8Mo components; Microstructural analysis is conducted using OM, SEM, TEM to understand the microstructural evolution of the LENS® deposited PH13-8Mo samples; The thermal history and its effects on microstructural evolution and resultant mechanical properties is studied in order to understand the relationship between processing parameter, microstructure and mechanical properties of the LENS® fabricated PH13-8Mo components.

The heat output of the radioactive waste proposed to be emplaced at Yucca Mountain will strongly affect the thermal-hydrological (TH) conditions in and near the geologic repository for thousands of years. Recent computational fluid dynamics (CFD) analysis has demonstrated that the emplacement tunnels (drifts) will act as important conduits for gas flows driven by natural convection. As a result, vapor generated from boiling/evaporation of formation water near elevated-temperature sections of the drifts may effectively be transported to cooler end sections (where no waste is emplaced), would condense there, and subsequently drain into underlying rock units. To study these processes, we have developed a new simulation method that couples existing tools for simulating TH conditions in the fractured formation with modules that approximate natural convection in heated emplacement drifts. The new method is applied to evaluate the future TH conditions at Yucca Mountain in a three-dimensional model domain comprising a representative emplacement drift and the surrounding fractured rock.

A tunable electrically small PIFA-as-a-package antenna for miniature wireless device applications has been developed using conventional printed circuit board processing techniques and commercial-off-the-shelf surface mount switches. The design is scalable to any frequency and form factor, while enabling adaptive tuning of the characteristically narrow band resonance of electrically small antennas. Our UHF prototype measures less than 2" (.08λ) on its longest side and provides approximately - 9dBi of gain from 419-472 MHz. Simulated and measured results will be discussed in the presentation.

Asynchronous integrated circuit technology provides low-power and low-noise operation for portable electronic security applications. Rather than using a global clock, asynchronous circuits employ a system of distributed handshake signals that control on-chip dataflow; reducing power consumption to only those parts of a chip actively involved in computation. Sandia has developed an automated asynchronous design flow that enables the rapid development of these asynchronous ASICs. This paper describes the design of asynchronous DES encryption circuits using this flow, and evaluates their performance against standard synchronous implementations. © 2006 IEEE.

The effects of diameter on detonation velocity of packed granular beds of HNS (2,2',4,4',6,6'-hexanitrostilbene) and CL-20 (2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane, HNIW) will be discussed. Due to the novel nature of the diagnostic technique utilized here, a thorough discussion of the experimental method is provided. The dimension at which finite diameter effects occur was characterized by conducting simultaneous streak camera and framing camera measurements on miniature rate sticks similar in concept to traditional rate sticks. A significant difference between historical rate sticks and those discussed here comes in the form of how they were produced. A femtosecond laser was used to generate precision miniature rate sticks down to diameters of 187 μm. Finally, we will discuss the somewhat unexpected result of nano particulate generation of energetic materials due to the laser machining process.

Encapsulation of high voltage transformers can be a difficult undertaking. Stresses arise due to the coefficient of thermal expansion (CTE) mismatch of the components. Due to the viscoelastic nature of the encapsulation, these stresses can change over time. Excessive tensile stress in the ceramic cores results in cracks which can affect the performance of the transformer. The transformer that is the subject of this paper performed well after manufacturing and an initial thermal cycle; four years later however, the same transformer failed during the heat-up portion of a similar thermal cycle. X-rays revealed a large crack in the ceramic core. This paper summarizes the elastic and nonlinear viscoelastic finite element modeling that was done in support of the failure investigation and redesign of the transformer. In both the elastic and viscoelastic finite element models, the maximum principal tensile stresses at the low temperature condition of the thermal cycle exceeded the estimated ultimate tensile strength of the core material. At room temperature, the models predicted that the maximum principal tensile stresses were sufficiently high to produce subcritical crack growth in the core material. The viscoelastic model indicated that the core could experience a significant increase in stress due to physical aging of the encapsulation. Modeling stresses compared well to the cracks found in the failed transformer. The final design utilized a silicone coating applied to the interior surfaces of the cores. The coating acts as a stress relief layer that decouples the high CTE encapsulation from the ceramic core. The addition of the silicone coating resulted in a significant stress reduction. X-rays of transformers made with the silicone coating reveal no cracks in the cores.

This paper presents results on the electro-thermo-mechanical behavior of piezoelectric materials for use in actuator applications with an emphasis on durability performance. The objective of this study was to compare the performance of different commercially available actuator systems and to determine the properties necessary for the design of such actuator systems. Basic piezoelectric properties of five stack actuators were determined as a function of mechanical preload and temperature. Changes in these properties during ferroelectric fatigue up to 107 cycles were determined from strain-field relations after a specified number of fatigue cycles. Experimental results indicate a strong dependence of piezoelectric properties and power requirements on mechanical loading conditions. Results indicate that the optimum operating conditions (i.e., mechanical preload) that will improve actuation capabilities of piezoelectric stack actuators can be determined. That is, strain output was found to increase by 60% for some actuators upon the application of certain compressive prestress. Results of fatigue tests indicate negligible degradation in strain output for some stack actuators even when operated under mechanical preload that causes large displacements through domain wall motion. Similar trends in strain output and current degradation curves (as a function of fatigue cycles) suggest that material degradation can be indirectly inferred from simply measuring the current being dissipated by the material and the fatigue predicted by measuring the strain output (quantity related to domain motion). Finally, temperature rise of lead zirconate titanate stacks due to self-heating should be taken into account when designing actuator systems, since temperature changes were found to significantly influence both strain output and power required to drive piezoelectric stack actuators. Physical mechanisms of ferroelectric fatigue are explored. © 2006 American Institute of Physics.

A new approach to explosive sample preparation is described in which microelectronics-related processing techniques are utilized. Fused silica and alumina substrates were prepared utilizing laser machining. Films of PETN were deposited into channels within the substrates by physical vapor deposition. Four distinct explosive behaviors were observed with high-speed framing photography by driving the films with a donor explosive. Initiation at hot spots was directly observed, followed by either energy dissipation leading to failure, or growth to a detonation. Unsteady behavior in velocity and structure was observed as reactive waves failed due to decreasing channel width. Mesoscale simulations were performed to assist in experiment development and understanding. We have demonstrated the ability to pattern these films of explosives and preliminary mesoscale simulations of arrays of voids showed effects dependent on void size and that detonation would not develop with voids below a certain size. Future work involves experimentation on deposited films with regular patterned porosity to elucidate mesoscale explosive behavior.

Results of displacement damage correlation between neutrons, light ions and heavy ions in bipolar junction transistors are presented. Inverse gain degradation as the function of fluence was measured. The inverse gain degradation due to heavy ion irradiation followed the Messenger-Spratt equation, while some deviation was found for light ions. © 2006 IEEE.

Future energy systems based on gasification of coal or biomass for co-production of electrical power and gaseous or liquid fuels may require gas turbine operation on unusual fuel mixtures. In addition, global climate change concerns may dictate the production of a CO2 product stream for end-use or sequestration, with potential impacts on the oxidizer used in the gas turbine. In this study the operation at atmospheric pressure of a small, optically accessible swirl-stabilized premixed combustor, burning fuels ranging from pure methane to conventional and H2-rich and H2-lean syngas mixtures is investigated. Both air and CO2-diluted oxygen are used as the oxidizers. CO and NOx emissions for these flames have been determined over the full range of stoichiometrics from the lean blow-off limit to slightly rich conditions (φ ∼ 1.03). The presence of hydrogen in the syngas fuel mixtures results in more compact, higher temperature flames, resulting in increased flame stability and higher NOx emissions. The lean blowoff limit and the lean stoichiometry at which CO emissions become significant both decrease with increasing H2 content in the syngas. For the investigated mixtures, CO emissions near the stoichiometric point do not become significant until (φ > 0.95. At this stoichiometric limit, where dilute-oxygen power systems would preferably operate, CO emissions rise more rapidly for combustion in O2-CO2 mixtures than for combustion in air.

The flexibility gained in moving from an analog video system to a digital video system is immeasurable, and the onslaught of new IP-addressable cameras and recording solutions has given security system designers an endless set of options for migrating to a digital video system. Video can be brought up and viewed by any authorized user on the security network, and adding new devices is as easy as plugging them into the security network. However, the change to an IP-based framework also leads to a completely different set of considerations-What kind of bandwidth does the network infrastructure need in order to handle all the video streaming across it? How do you integrate an IP video system into the rest of a Physical Security System (including Entry Control, Command, Control, and Communication)? This paper will address these considerations, among others, to help guide security system designers in determining the type of video system best suited for their applications. © 2006 IEEE.

A mesoscale dimensional artifact based on silicon bulk micromachining fabrication has been developed with the intention of evaluating the artifact both on a high precision Coordinate Measuring Machine (CMM), and on a video-probe based measuring system. A high accuracy touch-probe based CMM can achieve accuracies that are as good as the 2-D repeatability of video-probe systems. While video-probe based systems are commonly used to inspect mesoscale mechanical components, a video-probe system's certified accuracy is generally much worse than its repeatability. By using a hybrid artifact where the same features can be extracted by both a touch-probe and a video-probe, the accuracy of video-probe systems can be improved. In order to use the micromachined device as a calibration artifact, it is important to understand the uncertainty present in the touch-probe measurements. An uncertainty analysis is presented to show the potential accuracy of the measurement of these artifacts on a high precision CMM.

There is a need to provide response force personnel with advanced warning of intruder activity in rough terrain outside the traditional facility perimeter. Often the land surrounding a high consequence facility is remote and difficult to sensor with conventional long-range detection systems. In order to combat this difficult problem, Sandia has investigated, developed, and fielded a wireless sensor network that demonstrated the value of providing advanced information of adversary activities. The project used wireless technologies to detect and assess intruders in remote 'un-engineered' terrain around a fixed facility. In the time since the wireless intrusion detection system was fielded, minimal time has been spent on maintenance and no batteries required replacement Sandia's wireless sensor network provides advanced warning of intruder activities and its installation will improve the security posture of a facility. © 2006 IEEE.