In this article, we discuss in detail the addition of hydrogen atoms to diacetylene and the reverse dissociation reactions, H + C{sub 4}H{sub 2} {leftrightarrow} i-C{sub 4}H{sub 3} (R1) and H + C{sub 4}H{sub 2} n-C{sub 4}H{sub 3} (R2). The theory utilizes high-level electronic structure methodology to characterize the potential energy surface, Rice-Ramsperger-Kassel-Marcus (RRKM) theory to calculate microcanonical/J-resolved rate coefficients, and a two-dimensional master-equation approach to extract phenomenological (thermal) rate coefficients. Comparison is made with experimental results where they are available. The rate coefficients k{sub 1}(T, p) and k{sub 2}(T, p) are cast in forms that can be used in chemical kinetic modeling. In addition, we predict values of the heats of formation of i-C{sub 4}H{sub 3} and n-C{sub 4}H{sub 3} and discuss their importance in flame chemistry. Our basis-set extrapolated, quadratic-configuration-interaction with single and double excitations (and triple excitations added perturbatively), QCISD(T), predictions of these heats of formation at 298 K are 130.8 kcal/mol for n-C{sub 4}H{sub 3} and 119.3 kcal/mol for the i-isomer; multireference CI calculations with a nine-electron, nine-orbital, complete-active-space (CAS) reference wavefunction give just slightly larger values for these parameters. Our results are in good agreement with the recent focal-point analysis of Wheeler et al. (J. Chem. Phys. 2004, 121, 8800-8813), but they differ substantially for {Delta} H{sub f 298}{sup 0}(n-C{sub 4}H{sub 3}) with the earlier diffusion Monte Carlo predictions of Krokidis et al.
A series of numerical simulations have been performed to determine scaling laws for fast ignition break even of a hot spot formed by energetic particles created by a short pulse laser. Hot spot break even is defined to be when the fusion yield is equal to the total energy deposited in the hot spot through both the initial compression and the subsequent heating. In these simulations, only a small portion of a previously compressed mass of deuterium-tritium fuel is heated on a short time scale, i.e., the hot spot is tamped by the cold dense fuel which surrounds it. The hot spot tamping reduces the minimum energy required to obtain break even as compared to the situation where the entire fuel mass is heated, as was assumed in a previous study [S. A. Slutz, R. A. Vesey, I. Shoemaker, T. A. Mehlhorn, and K. Cochrane, Phys. Plasmas 7, 3483 (2004)]. The minimum energy required to obtain hot spot break even is given approximately by the scaling law E{sub T} = 7.5({rho}/100){sup -1.87} kJ for tamped hot spots, as compared to the previously reported scaling of E{sub UT} = 15.3({rho}/100){sup -1.5} kJ for untamped hotspots. The size of the compressed fuel mass and the focusability of the particles generated by the short pulse laser determines which scaling law to use for an experiment designed to achieve hot spot break even.
Many accelerators at Sandia National Laboratories utilize the Rimfire gas switch for high-voltage, high-power switching. Future accelerators will have increased performance requirements for switching elements. When designing improved versions of the Rimfire switch, there is a need for quick and accurate simulation of the electrical effects of geometry changes. This paper presents an advanced circuit model of the Rimfire switch that can be used for these simulations. The development of the model is shown along with comparisons to past models and experimental results.
The Sandia Lightning Simulator at Sandia National Laboratories can provide up to 200 kA for a simulated single lightning stroke, 100 kA for a subsequent stroke, and hundreds of Amperes of continuing current. It has recently been recommissioned after a decade of inactivity and the single-stroke capability demonstrated. The simulator capabilities, basic design components, upgrades, and diagnostic capabilities are discussed in this paper.
An experimental investigation is made into the fluid mechanics and heat transfer of a circular cylinder immersed in a wall-bounded turbulent mixed-convection flow of water. The cylinder is oriented spanwise to the forced channel flow and within the thermal boundary layer of the heated lower wall. The flow channel is capped with a cold, near-adiabatic upper wall producing a fully turbulent gap Rayleigh number of 10{sup 8}. A low-speed crossflow is applied to advect the turbulent thermal plumes over the cylinder surface. We present spatially resolved cylinder-surface heat-flux data alongside 2-D PIV imaging of the streamwise and wall-normal velocity components for two flow conditions in the mixed-convection heat-transfer regime. The measured cylinder-wake flowfield reflects the complex coupling between the separated wake flow, the highly turbulent freestream and the buoyant wall and cylinder boundary layers. A method for measurement of spatially resolved surface heat fluxes based on the measured cylinder-surface temperature distribution and a well-posed two-dimensional solution to the conduction problem in the cylinder wall is presented. The resulting spatially resolved flux measurements show enhanced surface heat transfer, which results from the intense buoyancy generated free-stream turbulence and mixing in the cylinder wake. This work extends the literature on thermal convection with crossflow well into the turbulent regime and is, to our knowledge, the first investigation of surface heat-transfer to an object of engineering importance placed in this type of turbulent mixed-convection flowfield. The data are currently being utilized for validation of mixed convection turbulence models at Sandia and comparisons between the computational and experimental results are presented.
This article provides a brief review of the field of electroporation and introduces a new microdevice that facilitates studies to test theories, gain understanding, and control this important biomedical technology. Electroporation, a bio-electrochemical process whose fundamentals are not yet understood, is a means of permeating the cell membrane by applying a voltage across the cell and forming nano-scale pores in the membrane. It has become an important field in biotechnology and medicine for the controlled introduction of macromolecules, such as gene constructs and drugs, into various cells. It is viewed as an engineering alternative to biological techniques for the genetic engineering of cells. To study and control electroporation, we have created a low-cost microelectroporation chip that incorporates a live biological cell with an electric circuit. The device revealed an important behavior of cells in electrical fields. They produce measurable electrical information about the electroporation state of the cell that may enable precise control of the process. The device can be used to facilitate fundamental studies of electroporation and can become useful in providing precise control over biotechnological processes.
The WLF equation is typically used to describe the dependence of polymer mobility on temperature at atmospheric pressure. Tests at different pressures would at least require different WLF parameterization. Completely different tests, for example, probing the temperature dependence of mobility at constant density, would require even greater modifications. By performing molecular dynamics simulations on simple chain molecules equilibrated at different thermodynamic states, we have shown that the mobility depends in a more general sense on the potential energy density of the system. That is, mobilities for any equilibrated state collapse onto one master curve when plotted against the potential energy density. Moreover, this relationship can be fit by either a 'generalized' WLF equation or by a power-law relationship observed in critical phenomena. When this mobility relationship is used within a rheologically simple, thermodynamically consistent, viscoelastic framework, quantitative agreement is seen between experimental data and theoretical predictions on a range of tests covering enthalpy relaxation to mechanical yield to physical aging.
This document provides a detailed discussion and a guide for the use of the RadCat 2.0 Graphical User Interface input file generator for the RADTRAN 5.5 code. The differences between RadCat 2.0 and RadCat 1.0 can be attributed to the differences between RADTRAN 5 and RADTRAN 5.5 as well as clarification for some of the input parameters. 3
The synthesis of a photoswitchable polymer by grafting an azobenzene dye to methacrylate followed by polymerization is presented. The azobenzene dye undergoes a trans-cis photoisomerization that causes a persistent change in the refractive index of cast polymer films. This novel polymer was incorporated into superlattices prepared by spin casting and the optical activity of the polymer was maintained. A modified coextruder that allows the rapid production of soft matter superlattices was designed and fabricated.
Two methods for creating a hybrid level-set (LS)/particle method for modeling surface evolution during feature-scale etching and deposition processes are developed and tested. The first method supplements the LS method by introducing Lagrangian marker points in regions of high curvature. Once both the particle set and the LS function are advanced in time, minimization of certain objective functions adjusts the LS function so that its zero contour is in closer alignment with the particle locations. It was found that the objective-minimization problem was unexpectedly difficult to solve, and even when a solution could be found, the acquisition of it proved more costly than simply expanding the basis set of the LS function. The second method explored is a novel explicit marker-particle method that we have named the grid point particle (GPP) approach. Although not a LS method, the GPP approach has strong procedural similarities to certain aspects of the LS approach. A key aspect of the method is a surface rediscretization procedure--applied at each time step and based on a global background mesh--that maintains a representation of the surface while naturally adding and subtracting surface discretization points as the surface evolves in time. This method was coded in 2-D, and tested on a variety of surface evolution problems by using it in the ChISELS computer code. Results shown for 2-D problems illustrate the effectiveness of the method and highlight some notable advantages in accuracy over the LS method. Generalizing the method to 3D is discussed but not implemented.
In this study, we describe the extension of the 2-d preliminary design bluff body drag estimation tool developed by De Chant1 to apply for 3-d flows. As with the 2-d method, the 3-d extension uses a combined approximate Green's function/Gram-Charlier series approach to retain the body geometry information. Whereas, the 2-d methodology relied solely upon the use of small disturbance theory for the inviscid flow field associated with the body of interest to estimate the near-field initial conditions, e.g. velocity defect, the 3-d methodology uses both analytical (where available) and numerical inviscid solutions. The defect solution is then used as an initial condition in an approximate 3-d Green's function solution. Finally, the Green's function solution is matched to the 3-d analog of the classical 2-d Gram-Charlier series and then integrated to yield the net form drag on the bluff body. Preliminary results indicate that drag estimates computed are of accuracy equivalent to the 2-d method for flows with large separation, i.e. less than 20% relative error. As was the lower dimensional method, the 3-d concept is intended to be a supplement to turbulent Navier-Stokes and experimental solution for estimating drag coefficients over blunt bodies.
The Method of Nearby Problems is employed to generate exact solutions to equations 'nearby' the steady and unsteady Burgers equation. Burgers equation is chosen because of the existence of exact solutions, and these exact solutions are discussed. Legendre polynomials are used to derive the exact solutions to the nearby problems, and the application of Legendre polynomials for both 1D and 2D problems is also discussed. Results are presented for the steady-state Burgers equation corresponding to a viscous shock wave for Reynolds numbers of 8, 16, and 512. The low Reynolds number cases are well approximated by 10th order Legendre polynomial fits, while the high Reynolds number case is not. The unsteady Burgers equation corresponding to coalescence of two viscous shock waves at a Reynolds number of 8 is also examined. Preliminary results indicate that further investigation is required to accurately capture this 2D solution.
We performed calculations to investigate the classical theories of chain branching and thermal--run--away that lead to the rapid oxidation of fuels. Mathematically, both theories infer the existence of eigenvalues with positive real parts i.e., explosive modes. We found in studies of homogeneous hydrogen--air and the methane--air mixtures that when ignition is initiated by a sufficiently high initial temperature, the transient response of the system exhibits two stages. The first stage is characterized by the existence of explosive modes. The ensuing second stage consists of fast exponential decay modes that bring the system to its equilibrium point. We demonstrated with two examples that the existence of explosive modes is not a necessary condition for the existence of a premixed flame. Homogeneous ignition calculations for mixtures with an initial concentration of radical species suggest that the diffusive transport of radical species is probably responsible for the lack of explosive modes in premixed flames.
Modal analysis of three-dimensional structures frequently involves finite element discretizations with millions of unknowns and requires computing hundreds or thousands of eigenpairs. In this presentation we review methods based on domain decomposition for such eigenspace computations in structural dynamics. We distinguish approaches that solve the eigenproblem algebraically (with minimal connections to the underlying partial differential equation) from approaches that tightly couple the eigensolver with the partial differential equation.
Low-temperature combustion concepts that utilize cooled EGR, early/retarded injection, high swirl ratios, and modest compression ratios have recently received considerable attention. To understand the combustion and, in particular, the soot formation process under these operating conditions, a modeling study was carried out using the KIVA-3V code with an improved phenomenological soot model. This multi-step soot model includes particle inception, surface growth, surface oxidation, and particle coagulation. Additional models include a piston-ring crevice model, the KH/RT spray breakup model, a droplet wall impingement model, a wall heat transfer model, and the RNG k-{var_epsilon} turbulence model. The Shell model was used to simulate the ignition process, and a laminar-and-turbulent characteristic time combustion model was used for the post-ignition combustion process. A low-load (IMEP=3 bar) operating condition was considered and the predicted in-cylinder pressures and heat release rates were compared with measurements. Predicted soot mass, soot particle size, soot number density distributions and other relevant quantities are presented and discussed. The effects of variable EGR rate (0-68%), injection pressure (600-1200 bar), and injection timing were studied. The predictions demonstrate that both EGR and retarded injection are beneficial for reducing NO{sub x} emissions, although the former has a more pronounced effect. Additionally, higher soot emissions are typically predicted for the higher EGR rates. However, when the EGR rate exceeds a critical value (over 65% in this study), the soot emissions decrease. Reduced soot emissions are also predicted when higher injection pressures or retarded injection timings are employed. The reduction in soot with retarded injection is less than what is observed experimentally, however.
Understanding and characterizing the electrical properties of multi-conductor shielded and unshielded cables is an important endeavor for many diverse applications, including airlines, land based communications, nuclear weapons, and any piece of hardware containing multi-conductor cabling. Determining the per unit length capacitance and inductance based on the geometry of the conductors, number of conductors, and characteristics of the shield can prove quite difficult. Relating the inductance and capacitance to shielding effectiveness can be even more difficult. An exceedingly large number of measurements were taken to characterize eight multi-conductor cables, of which four were 3-conductor cables and four were 18-conductor cables. Each set of four cables contained a shielded cable and an unshielded cable with the inner conductors twisted together and a shielded cable and an unshielded cable with the inner conductors not twisted together (or straight). Male LJT connectors were attached on either end of the cable and each cable had a finished length of 22.5 inches. The measurements performed were self and mutual inductance, self and mutual capacitance, and effective height. For the 18 conductor case there ended up being an 18 by 18 element matrix for inductance (with the self inductance terms lying on the diagonal) and an 18 by 18 matrix for capacitance. The effective height of each cable was measured over a frequency range from 220 MHz to 18 GHz in a Mode-Stirred Chamber. The effective height of each conductor of each cable was measured individually and all shorted together, producing 19 frequency responses for each 18 conductor cable. Shielding effectiveness was calculated using the effective heights from the shielded and unshielded cables. The results of these measurements and the statistical analysis of the data will be presented. There will also be a brief presentation of comparison with numerical models.
This report describes an approach for extending the one-dimensional turbulence (ODT) model of Kerstein [6] to treat turbulent flow in three-dimensional (3D) domains. This model, here called ODTLES, can also be viewed as a new LES model. In ODTLES, 3D aspects of the flow are captured by embedding three, mutually orthogonal, one-dimensional ODT domain arrays within a coarser 3D mesh. The ODTLES model is obtained by developing a consistent approach for dynamically coupling the different ODT line sets to each other and to the large scale processes that are resolved on the 3D mesh. The model is implemented computationally and its performance is tested and evaluated by performing simulations of decaying isotropic turbulence, a standard turbulent flow benchmarking problem.
Two-color resonant four-wave-mixing spectroscopy (TC-RFWM) is used to investigate ground-state energy transfer of hydroxyl radical in atmospheric-pressure flames. Two amplified distributed-feedback dye lasers produce 50-ps, nearly transform-limited, infrared (IR) and ultraviolet pulses. The infrared pump laser is tuned to individual rovibrational transitions of OH X {sup 2}{pi}{sub 3/2} (v{prime}=1, N{prime}) {l_arrow} X {sup 2}{pi}{sub 3/2} (v{double_prime}=0, N{double_prime}), and the ultraviolet pulse probes either the directly pumped or collisionally populated intermediate levels via A{sup 2}{Sigma}{sup +} (v*=1, N*) {l_arrow} X{sup 2}{pi}{sub 3/2}(v{prime}=1, N{prime}). By time-delaying the probe pulse with respect to the pump pulse, and appropriately constraining the polarizations of each of the four fields taking part in the wave-mixing process, we are able to independently and unambiguously measure the moments of the rotational angular momentum distribution in single rotational levels of the ground state. We present measurements of population, alignment, and orientation decay in X {sup 2}{pi}{sub 3/2} for several flame conditions. These experiments provide data necessary for the development of accurate models for diagnostic techniques using saturating laser pulses.
An alternative theory of solid mechanics, known as the peridynamic theory, formulates problems in terms of integral equations rather than partial differential equations. This theory assumes that particles in a continuum interact with each other across a finite distance, as in molecular dynamics. Damage is incorporated in the theory at the level of these two-particle interactions, so localization and fracture occur as a natural outgrowth of the equation of motion and constitutive models. A numerical method for solving dynamic problems within the peridynamic theory is described. Accuracy and numerical stability are discussed. Examples illustrate the properties of the method for modeling brittle dynamic crack growth.
Three methods that were used to measure the chemical changes associated with oxidative degradation of polymeric materials are presented. The first method is based on the nuclear activation of {sup 18}O in an elastomer that was thermally aged in an {sup 18}O{sub 2} atmosphere. Second, the alcohol groups in a thermally aged elastomer were derivatized with trifluoroacetic anhydride and their concentration measured via {sup 19}F NMR spectroscopy. Finally, a respirometer was used to directly measure the oxidative rates of a polyurethane foam as a function of aging temperature. The measurement of the oxidation rates enabled acceleration factors for oxidative degradation of these materials to be calculated.
An environmentally friendly method and materials study for desalinating inland brackish waters (i.e., coal bed methane produced waters) using a set of ion-exchange materials is presented. This desalination process effectively removes anions and cations in separate steps with minimal caustic waste generation. The anion-exchange material, hydrotalcite (HTC), exhibits an ion-exchange capacity (IEC) of {approx} 3 mequiv g{sup -1}. The cation-exchange material, an amorphous aluminosilicate permutite-like material, (Na{sub x+2y}Al{sub x}Si{sub 1-x}O{sub 2+y}), has an IEC of {approx}2.5 mequiv g{sup -1}. These ion-exchange materials were studied and optimized because of their specific ion-exchange capacity for the ions of interest and their ability to function in the temperature and pH regions necessary for cost and energy effectiveness. Room temperature, minimum pressure column studies (once-pass through) on simulant brackish water (total dissolved solids (TDS) = 2222 ppm) resulted in water containing TDS = 25 ppm. A second once-pass through column study on actual produced water (TDS = {approx}11,000) with a high carbonate concentration used an additional lime softening step and resulted in a decreased TDS of 600 ppm.
The Arsenic Water Technology Partnership program is a multi-year program funded by a congressional appropriation through the Department of Energy. The program is designed to move technologies from benchscale tests to field demonstrations. It will enable water utilities, particularly those serving small, rural communities and Indian tribes, to implement the most cost-effective solutions to their arsenic treatment needs. As part of the Arsenic Water Technology Partnership program, Sandia National Laboratories is carrying out field demonstration testing of innovative technologies that have the potential to substantially reduce the costs associated with arsenic removal from drinking water. The scope for this work includes: (1) Selection of sites and identification of technologies for pilot demonstrations; (2) Laboratory studies to develop rapid small-scale test methods; and (3) Pilot-scale studies at community sites involving side-by-side tests of innovative technologies. The goal of site selection is to identify sites that allow examination of treatment processes and systems under conditions that are relevant to different geochemical settings throughout the country. A number of candidate sites have been identified through reviews of groundwater quality databases, conference proceedings and discussions with state and local officials. These include sites in New Mexico, Arizona, Colorado, Oklahoma, Michigan, and California. Candidate technologies for the pilot tests are being reviewed through vendor forums, proof-of-principle benchscale studies managed by the American Water Works Association Research Foundation (AwwaRF) and the WERC design contest. The review considers as many potential technologies as possible and screens out unsuitable ones by considering data from past performance testing, expected costs, complexity of operation and maturity of the technology. The pilot test configurations will depend on the site-specific conditions such as access, power availability, waste disposal options and availability of permanent structures to house the test. Conducting pilot tests for media comparison at all sites in need of arsenic treatment would be extremely time consuming and costly. Laboratory studies are being conducted using rapid small-scale column tests (RSSCTs) to predict the performance of pilot-scale adsorption columns. RSSCTs are a rapid and inexpensive method of investigating innovative technologies while varying water quality and/or system design. RSSCTs are scaled down columns packed with smaller diameter adsorption media that receive higher hydraulic loading rates to significantly reduce the duration of experiments. Results for RSSCTs can be obtained in a matter of days to a few weeks, whereas pilot tests can take a number of months to over a year. In the pilot tests, the innovative technologies will be evaluated in terms of adsorptive capacity for arsenic; robustness of performance with respect to water quality parameters including pH, TDS, foulants such as Fe, Mn, silica, and organics, and other metals and radionuclides; and potentially deleterious effects on the water system such as pipe corrosion from low pH levels, fluoride removal, and generation of disinfection by-products. The new arsenic MCL will result in modification of many rural water systems that otherwise would not require treatment. Simultaneous improvement of water quality in systems that will require treatment for other contaminants such as uranium, radon and radium would be an added benefit of this program.
Military test and training ranges operate with live fire engagements to provide realism important to the maintenance of key tactical skills. Ordnance detonations during these operations typically produce minute residues of parent explosive chemical compounds. Occasional low order detonations also disperse solid phase energetic material onto the surface soil. These detonation remnants are implicated in chemical contamination impacts to groundwater on a limited set of ranges where environmental characterization projects have occurred. Key questions arise regarding how these residues and the environmental conditions (e.g., weather and geostratigraphy) contribute to groundwater pollution impacts. This report documents interim results of a mass transfer model evaluating mass transfer processes from solid phase energetics to soil pore water based on experimental work obtained earlier in this project. This mass transfer numerical model has been incorporated into the porous media simulation code T2TNT. Next year, the energetic material mass transfer model will be developed further using additional experimental data.
The use of rotational echo adiabatic passage double resonance (REAPDOR) solid-state nuclear magnetic resonance (NMR) to determine the site location of an adsorbed polar molecule in a zeolite cage is presented. Nitrogen-15 labeled ammonia is used as a probe molecule to characterize the initial adsorption site in 3A zeolite molecular sieves. The relative position of the ammonia adsorption site in the cage is determined by measuring the internuclear distance between the N on ammonia and both a Na cation site and an Al framework environment using {sup 15}N/{sup 23}Na and {sup 15}N/{sup 27}Al REAPDOR NMR experiments, respectively. The measured internuclear distances are similar to a specific ammonia adsorption site for the zeolite 4A ammonia sorption complex located using X-ray diffraction. Additional details regarding the ammonia hydrogen-bonding environment can be extracted from {sup 1}H/{sup 23}Na and {sup 1}H/{sup 27}Al REAPDOR NMR measurements.
The presentation outline of this paper is: (1) How identification of chemical hazards fits into a security risk analysis approach; (2) Techniques for target identification; and (3) Identification of chemical hazards by different organizations. The summary is: (1) There are a number of different methodologies used within the chemical industry which identify chemical hazards: (a) Some develop a manual listing of potential targets based on published lists of hazardous chemicals or chemicals of concern, 'expert opinion' or known hazards. (b) Others develop a prioritized list based on chemicals found at a facility and consequence analysis (offsite release affecting population, theft of material, product tampering). (2) Identification of chemical hazards should include not only intrinsic properties of the chemicals but also potential reactive chemical hazards and potential use for activities off-site.
Sandia National Laboratories has previously tested a capability to impose a 7.5 g-rms (30 g peak) radial vibration load up to 2 kHz on a 25 lb object with superimposed 50 g acceleration at its centrifuge facility. This was accomplished by attaching a 3,000 lb Unholtz-Dickie mechanical shaker at the end of the centrifuge arm to create a 'Vibrafuge'. However, the combination of non-radial vibration directions, and linear accelerations higher than 50g's are currently not possible because of the load capabilities of the shaker and the stresses on the internal shaker components due to the combined centrifuge acceleration. Therefore, a new technique using amplified piezo-electric actuators has been developed to surpass the limitations of the mechanical shaker system. They are lightweight, modular and would overcome several limitations presented by the current shaker. They are 'scalable', that is, adding more piezo-electric units in parallel or in series can support larger-weight test articles or displacement/frequency regimes. In addition, the units could be mounted on the centrifuge arm in various configurations to provide a variety of input directions. The design along with test results will be presented to demonstrate the capabilities and limitations of the new piezo-electric Vibrafuge.
The influence of thermal stratification on auto-ignition at constant volume and high pressure is studied by Direct Numerical Simulation (DNS) with complex H{sub 2}/air chemistry with a view to providing better understanding of combustion processes in homogeneous charge compression ignition engines. In particular the dependence of overall ignition progress on initial mixture conditions is determined. The propagation speed of ignition fronts that emanate from 'hot spots' given by a temperature spectrum is monitored by using the displacement velocity of a scalar that tracks the location of maximum heat release. The evolution of the front velocity is compared for different initial temperature distributions and the role of scalar dissipation of heat and mass is identified. It is observed that both deagrative as well as spontaneous ignition front propagation occur depending upon the local temperature gradient. It is found that the ratio of the instantaneous front speed to the deflagrative speed is a good measure of the local mode of propagation. This is verified by examining the energy and species balances. A parametric study in the amplitudes of the initial temperature fluctuation is performed and shows that this parameter has a significant influence on the observed combustion mode. Higher levels of stratification lead to more front-like structures. Predictions of the multi-zone model are presented and explained using the diagnostics developed.
The impacts of small niobium additions to processing, microstructure, and electrical properties in the Zr-rich lead zirconate titanate ceramics (PZT 95/5) were investigated. The influence of niobium content on dielectric responses and the characteristics of ferroelectric behaviors, as well as the relative phase stability and the hydrostatic pressure induced ferroelectric-to- antiferroelectric phase transformation are reported. Results indicate that increasing the niobium concentration in the solid solutions enhances densification, refines the microstructure, decreases dielectric constant and spontaneous polarization, and stabilizes the ferroelectric phase. The stabilization of ferroelectric phase with respect to the antiferroelectric phase near PZT 95/5 composition dramatically increases the pressure required for the ferroelectric-to-antiferroelectric phase transformation. These observations were correlated to the creation of A-site vacancies and a slight modification of the crystal structure. The importance of these composition-property relationships on device application will be presented.
Optical actuation of microelectromechanical systems (MEMS) is advantageous for applications for which electrical isolation is desired. Thirty-two polycrystalline silicon opto-thermal actuators, optically-powered MEMS thermal actuators, were designed, fabricated, and tested. The design of the opto-thermal actuators consists of a target for laser illumination suspended between angled legs that expand when heated, providing the displacement and force output. While the amount of displacement observed for the opto-thermal actuators was fairly uniform for the actuators, the amount of damage resulting from the laser heating ranged from essentially no damage to significant amounts of damage on the target. The likelihood of damage depended on the target design with two of the four target designs being more susceptible to damage. Failure analysis of damaged targets revealed the extent and depth of the damage.
A three-dimensional tungsten photonic crystal is thermally excited and shown to emit light at a narrow band, {lambda} = 3.3-4.25 {micro}m. The emission is experimentally observed to exceed that of the free-space Planck radiation over a wide temperature range, T = 475-850 K. it is proposed that an enhanced density of state associated with the propagating electromagnetic Bloch waves in the photonic crystal is responsible for this experimental finding.
This paper provides a brief overview of the fields of biological micro-electromechanical systems (bioMEMs) and associated nanobiotechnologies, collectively denoted as BioMicroNano. Although they are developing at a very rapid pace and still redefining themselves, several stabilized areas of research and development can be identified. Six major areas are delineated, and specific examples are discussed and illustrated. Various applications of the technologies are noted, and potential market sizes are compared.
Simplified models that are based on macroscopic force balances and droplet-geometry approximations are presented for predicting the onset of instability leading to removal of water droplets at the gas diffusion layer (GDL)/gas flow channel (GFC) interface. Visualization experiments are carried out to observe the formation, growth, and removal or instability of the water droplets at the GDL/GFC interface of a simulated polymer electrolyte fuel cell cathode. Droplet-instability diagrams or windows computed by the simplified models are compared with those measured experimentally, and good agreement is obtained. Two-dimensional flow simulations employing the finite element method coupled with an arbitrary Lagrangian-Eulerian formulation for determining the liquid/gas interface position are also performed to assess the simplified cylindrical-droplet model. Necessary conditions for preventing fully grown droplets from lodging in the flow channel are derived using the simplified models. It is found that droplet removal can be enhanced by increasing flow channel length or mean gas flow velocity, decreasing channel height or contact angle hysteresis, or making the GDL/GFC interface more hydrophobic.
Concerns over the illicit trafficking of radiological and nuclear materials were focused originally on the lack of security and accountability of such material throughout the former Soviet states. This is primarily attributed to the frequency of events that have occurred involving the theft and trafficking of critical material components that could be used to construct a Radiological Dispersal Device (RDD) or even a rudimentary nuclear device. However, with the continued expansion of nuclear technology and the deployment of a global nuclear fuel cycle these materials have become increasingly prevalent, affording a more diverse inventory of dangerous materials and dual-use items. To further complicate the matter, the list of nuclear consumers has grown to include: (1) Nation-states that have gone beyond the IAEA agreed framework and additional protocols concerning multiple nuclear fuel cycles and processes that reuse the fuel through reprocessing to exploit technologies previously confined to the more industrialized world; (2) Terrorist organizations seeking to acquire nuclear and radiological material due to the potential devastation and psychological effect of their use; (3) Organized crime, which has discovered a lucrative market in trafficking of illicit material to international actors and/or countries; and (4) Amateur smugglers trying to feed their families in a post-Soviet era. An initial look at trafficking trends of this type seems scattered and erratic, localized primarily to a select group of countries. This is not necessarily the case. The success with which other contraband has been smuggled throughout the world suggests that nuclear trafficking may be carried out with relative ease along the same routes by the same criminals or criminal organizations. Because of the inordinately high threat posed by terrorist or extremist groups acquiring the ingredients for unconventional weapons, it is necessary that illicit trafficking of these materials be better understood as to prepare for the sustained global development of the nuclear fuel cycle. Conversely, modeling and analyses of this activity must not be limited in their scope to loosely organized criminal smuggling, but address the problem as a commercial, industrial project for the covert development of nuclear technologies and unconventional weapon development.
The nation's electric power sector is highly interdependent with the economic sectors it serves; electric power needs are driven by economic activity while the economy itself depends on reliable and sustainable electric power. To advance higher level understandings of the vulnerabilities that result from these interdependencies and to identify the loss prevention and loss mitigation policies that best serve the nation, the National Infrastructure Simulation and Analysis Center is developing and using N-ABLE{trademark}, an agent-based microeconomic framework and simulation tool that models these interdependencies at the level of collections of individual economic firms. Current projects that capture components of these electric power and economic sector interdependencies illustrate some of the public policy issues that should be addressed for combined power sector reliability and national economic security.
Technologies that could quickly detect and identify virus particles would play a critical role in fighting bioterrorism and help to contain the rapid spread of disease. Of special interest is the ability to detect the presence and movement of virions without chemically modifying them by attaching molecular probes. This would be useful for rapid detection of pathogens in food or water supplies without the use of expensive chemical reagents. Such detection requires new devices to quickly screen for the presence of tiny pathogens. To develop such a device, we fabricated nanochannels to transport virus particles through ultrashort laser cavities and measured the lasing output as a sensor for virions. To understand this transduction mechanism, we also investigated light scattering from virions, both to determine the magnitude of the scattered signal and to use it to investigate the motion of virions.
The thermal interdiffusion of AlSb/GaSb multiquantum wells was measured and the intrinsic diffusivities of Al and Ga determined over a temperature range of 823-948 K for 30-9000 s. The 77-K photoluminescence (PL) was used to monitor the extent of interdiffusion through the shifts in the superlattice luminescence peaks. The chemical diffusion coefficient was quantitatively determined by fitting the observed PL peak shifts to the solution of the Schroedinger equation, using a potential derived from the solution of the diffusion equation. The value of the interdiffusion coefficient ranged from 5.2 x 10{sup -4} to 0.06 nm{sup 2}/s over the conditions studied and was characterized by an activation energy of 3.0 {+-} 0.1 eV. The intrinsic diffusion coefficients for Al and Ga were also determined with higher values for Al than for Ga, described by activation energies of 2.8 {+-} 0.4 and 1.1 {+-} 0.1 eV, respectively.
A number of industrial combustion systems are adopting oxygen-enhanced firing to improve heat transfer characteristics and reduce emissions. The exhaust gas from these systems is dominated by H2O and CO2 and therefore has substantially different gas properties from traditional combustion exhaust. In the past, laser-induced breakdown spectroscopy (LIBS) has been successfully used for the evaluation of alkali aerosol concentrations in air-based combustion systems. This paper presents results of LIBS measurements of alkali concentrations in a laboratory calibration setup and in an oxygen/natural gas container glass furnace. It shows how both gas conditions (composition and temperature) and the molecular form of the alkali species affect the LIBS signals. The paper proposes strategies for mitigating these effects in future applications of LIBS in oxygen-enhanced combustion systems.
The dimensionless extinction coefficient (K{sub e}) of soot must be known to quantify laser extinction measurements of soot concentration and to predict optical attenuation through smoke clouds. Previous investigations have measured K{sub e} for post-flame soot emitted from laminar and turbulent diffusion flames and smoking laminar premixed flames. This paper presents the first measurements of soot K{sub e} from within laminar diffusion flames, using a small extractive probe to withdraw the soot from the flame. To measure K{sub e}, two laser sources (635 nm and 1310 nm) were coupled to a transmission cell, followed by gravimetric sampling. Coannular diffusion flames of methane, ethylene and nitrogen-diluted kerosene burning in air were studied, together with slot flames of methane and ethylene. K{sub e} was measured at the radial location of maximum soot volume fraction at several heights for each flame. Results for K{sub e} at both 635 nm and 1310 nm for ethylene and kerosene coannular flames were in the range of 9-10, consistent with the results from previous studies of post-flame soot. The ethylene slot flame and the methane flames have lower K{sub e} values, in some cases as low as 2.0. These lower values of K{sub e} are found to result from the contributions of (a) the condensation of PAH species during the sampling of soot, (b) the wavelength-dependent absorptivity of soot precursor particles, and, in the case of methane, (c) the negligible contribution of soot scattering to the extinction coefficient. RDG calculations of soot scattering, in combination with the measured K{sub e} values, imply that the soot refractive index is in the vicinity of 1.75-1.03i at 635 nm.
A severe fire and explosion occurred at a propane storage yard in Truth or Consequences, N.M., when a truck ran into the pumping and plumbing system beneath a large propane tank. The storage tank emptied when the liquid-phase excess flow valve tore out of the tank. The ensuing fire engulfed several propane delivery trucks, causing one of them to explode. A series of elevated-temperature stress-rupture tears developed along the top of a 9800 L (2600 gal) truck-mounted tank as it was heated by the fire. Unstable fracture then occurred suddenly along the length of the tank and around both end caps, along the girth welds connecting the end caps to the center portion of the tank. The remaining contents of the tank were suddenly released, aerosolized, and combusted, creating a powerful boiling liquid expanding vapor explosion (BLEVE). Based on metallography of the tank pieces, the approximate tank temperature at the onset of the BLEVE was determined. Metallurgical analysis of the ruptured tank also permitted several hypotheses regarding BLEVE mechanisms to be evaluated. Suggestions are made for additional work that could provide improved predictive capabilities regarding BLEVEs and for methods to decrease the susceptibility of propane tanks to BLEVEs.
This overview is intended to provide the reader with insight into basic reliability issues often confronted when designing long-term geothermal well monitoring equipment. No single system is looked at. General examples of the long-term reliability of other industries are presented. Examples of reliability issues involving electronic components and sensors along with fiber optic sensors and cables are given. This paper will aid in building systems where a long operating life is required. However, as no introductory paper can cover all reliability issues, basic assembly practices and testing concepts are presented.