Publications

Observed peptide gas-phase fragmentation patterns are a complex function of many variables. In order to systematically probe this phenomenon, an array of 40 peptides was synthesized for study. The array of sequences was designed to hold certain variables (peptide length) constant and randomize or balance others (peptide amino acid distribution and position). A high-quality tandem mass spectrometry (MS/MS) data set was acquired for each peptide for all observed charge states on multiple MS instruments, quadrupole-time-of-flight and quadrupole ion trap. The data were analyzed as a function of total charge state and number of mobile protons. Previously known dissociation trends were observed, validating our approach. In addition, the general influence of basic amino acids on dissociation could be determined because, in contrast to the more widely studied tryptic peptides, the amino acids H, K, and R were positionally distributed. Interestingly, our results suggest that cleavage at all basic amino acids is suppressed when a mobile proton is available. Cleavage at H becomes favored only under conditions where a partially mobile proton is present, a caveat to the previously reported trend of enhanced cleavage at H. In conclusion, all acquired data were used as a benchmark to determine how well these sequences would have been identified in a database search using a common algorithm, Mascot.

Here, we have developed a novel flow chamber which imposes a controlled axisymmetric stagnation flow to enable the study of external flow effects on coalescence dynamics. This system allows for the first time the precise positioning of a drop in a three dimensional flow and additionally enforces a highly symmetric flow around the drop. We focus on the study of a single drop approaching a stationary flat plane as this is analogous to two drops approaching each other. A single drop is created and then guided along the unsteady center line of a stagnation flow. The real time computer control algorithm analyzes video images of the drop in two orthogonal planes and manipulates flow restricting valves along the four outlets of the flow. We demonstrate using particle image velocimetry that the computer control not only controls the drop position but also ensures a symmetric flow inside the flow chamber. Finally, this chamber will enable a detailed investigation of the drainage of the thin film between the drop and the lower surface in order to probe the effect of external flow on coalescence.

Here, we examine the coupling of the patterned-interface-reconstruction (PIR) algorithm with the extended finite element method (X-FEM) for general multi-material problems over structured and unstructured meshes. The coupled method offers the advantages of allowing for local, element-based reconstructions of the interface, and facilitates the imposition of discrete conservation laws. Of particular note is the use of an interface representation that is volume-of-fluid based, giving rise to a segmented interface representation that is not continuous across element boundaries. In conjunction with such a representation, we employ enrichment with the ridge function for treating material interfaces and an analog to Heaviside enrichment for treating free surfaces. We examine a series of benchmark problems that quantify the convergence aspects of the coupled method and examine the sensitivity to noise in the interface reconstruction. Finally, the fidelity of a remapping strategy is also examined for a moving interface problem.

This paper presents a new algebraic extension of the Rayleigh quotient multigrid (RQMG) minimization algorithm to compute the smallest eigenpairs of a symmetric positive definite pencil (A, M). Earlier versions of RQMG minimize the Rayleigh quotient over a hierarchy of geometric grids. We replace the geometric mesh information with the algebraic information defined by an algebraic multigrid preconditioner. At each level, we minimize the Rayleigh quotient with a block preconditioned algorithm. Numerical experiments illustrate the efficiency of this new algorithm to compute several eigenpairs. Copyright © 2007 John Wiley & Sons, Ltd.

Like microelectronic circuits, microelectromechanical systems (MEMS) devices are susceptible to damage by electrostatic discharge (ESD). At Sandia National Laboratories, polysilicon electrothermal MEMS actuators have been subjected to ESD pulses to examine that susceptibility. Failures, in the form of cracks at points of high stress concentration, occurred that could not be explained by thermal degradation of the polysilicon caused by excessive heating, or by excessive displacement of the legs of the actuator of the same nature that occur in normal operation. One hypothesis presented in this paper is that the internal magnetic forces between the legs of the actuator, resulting from the ESD-associated high current pulses, might produce vibrations of amplitude sufficient to produce these cracks. However, a dynamic analysis based on simple beam theory indicated that such cracks are unlikely to occur, except under rather extreme conditions. On the other hand, these same current pulses also cause resistive heating of the legs and, therefore, thermally induced compression that can lead to buckling. Buckling stresses, particularly when augmented by magnetic forces, can readily explain failure. Both the magnetic and thermal analyses were performed using the human body model and the machine model of ESD. A justification for ignoring shuttle motion and eddy currents induced in the substrate during the ESD pulse is presented, as well. Copyright © 2007 by ASME.

The addition of hydrogen to the natural gas feedstocks of midsize (30-150 MW) gas turbines was analyzed as a method of reducing nitrogen oxides (NOx) and CO2 emissions. In particular, the costs of hydrogen addition were evaluated against the combined costs for other current NOx and CO2 emissions control technologies for both existing and new systems to determine its benefits and market feasibility. Markets for NOx emissions credits currently exist in California and the Northeast States and are expected to grow. Although regulations are not currently in place in the United States, several other countries have implemented carbon tax and carbon credit programs. The analysis thus assumes that the United States adopts future legislation similar to these programs. Therefore, potential sale of emissions credits for volunteer retrofits was also included in the study. It was found that hydrogen addition is a competitive alternative to traditional emissions abatement techniques under certain conditions. The existence of carbon credits shifts the system economics in favor of hydrogen addition. © 2007.

We present a new algorithm for wide-angle propagation through a general class of optical-waveguide structures defined by dielectric interfaces that may be slanted with respect to the direction of propagation. No regularity of the structure shapes is assumed, no coordinate transformations are employed, and the movement of each grid point between propagation steps is arbitrary within modest angular limitations. When used with an appropriate grid-generation algorithm, this method allows the modeling of an extremely wide variety of high-index-contrast waveguide structures, including meanders and tapers, with good phase accuracy and energy conservation. © 2007 IEEE.

This report details the development of a microfabricated preconcentrator that functions as a fully integrated chemical extractor-injector for a microscale gas chromatograph (GC). The device enables parts-per-billion detection and quantitative analysis of volatile organic compounds (VOCs) in indoor air with size and power advantages over macro-scale systems. The 44 mm{sup 3} preconcentrator extracts VOCs using highly adsorptive, granular forms of graphitized carbon black and carbon molecular sieves. The micron-sized silicon cavities have integrated heating and temperature sensing allowing low power, yet rapid heating to thermally desorb the collected VOCs (GC injection). The keys to device construction are a new adsorbent-solvent filling technique and solvent-tolerant wafer-level silicon-gold eutectic bonding technology. The product is the first granular adsorbent preconcentrator integrated at the wafer level. Other advantages include exhaustive VOC extraction and injection peak widths an order of magnitude narrower than predecessor prototypes. A mass transfer model, the first for any microscale preconcentrator, is developed to describe both adsorption and desorption behaviors. The physically intuitive model uses implicit and explicit finite differences to numerically solve the required partial differential equations. The model is applied to the adsorption and desorption of decane at various concentrations to extract Langmuir adsorption isotherm parameters from effluent curve measurements where properties are unknown a priori.

TPI Composites, Inc. (TPI), Global Energy Concepts, LLC (GEC), and MDZ Consulting (MDZ) have collaborated on a project to design, manufacture, and test prototype carbon-fiberglass hybrid wind turbine blades of 9-m length. The project, funded by Sandia National Laboratories, involves prototype blades in both conventional (unidirectional spar fibers running along the blade span) and ''adaptive'' (carbon fibers in off-axis orientation to achieve bend-twist-coupling) configurations. After manufacture, laboratory testing is being conducted to determine the static and fatigue strength of the prototypes, in conjunction with field testing to evaluate the performance under operational conditions.

We report an analysis of four strains of baker's yeast Saccharomyces cerevisiae using biocavity laser spectroscopy. The four strains are grouped in two pairs wild type and altered, in which one strain differs genetically at a single locus, affecting mitochondrial function. In one pair, the wild-type + and a 0 strain differ by complete removal of mitochondrial DNA mtDNA. In the second pair, the wild-type + and a ? strain differ by knock-out of the nuclear gene encoding Cox4, an essential subunit of cytochrome c oxidase. The biocavity laser is used to measure the biophysical optic parameter , a laser wavelength shift relating to the optical density of cell or mitochondria that uniquely reflects its size and biomolecular composition. As such, is a powerful parameter that rapidly interrogates the biomolecular state of single cells and mitochondria. Wild-type cells and mitochondria produce Gaussian-like distributions with a single peak. In contrast, mutant cells and mitochondria produce leptokurtotic distributions that are asymmetric and highly skewed to the right. These distribution changes could be self-consistently modeled with a single, log-normal distribution undergoing a thousand-fold increase in variance of biomolecular composition. These features reflect a new state of stressed or diseased cells that we call a reactive biomolecular divergence RBD that reflects the vital interdependence of mitochondria and the nucleus. © 2007 Society of Photo-Optical Instrumentation Engineers.

Recently published results for a rigid spherical indenter contacting a thin, linear elastic coating on a rigid planar substrate have been extended to include the case of two contacting spheres, where each sphere is rigid and coated with a thin, linear elastic material. This is done by using an appropriately chosen effective radius and coating modulus. The earlier work has also been extended to provide analytical results that span the transition between the previously derived Derjaguin-Müller-Toporov (DMT)-like (work of adhesion/ coating-modulus ratio is small) and Johnson-Kendall-Roberts (JKR)-like (work of adhesion/coating-modulus ratio is large) limits.

An error was discovered in the ALGEBBRA script used to calculate the disturbed rock zone around the disposal room and the shear failure zone in the anhydrite layers in the original version. To correct the error, a memorandum of correction was submitted according to the Waste Isolation Pilot Plant (WIPP) Quality Assurance program. The recommended course of action was to correct the error, to repeat the post-process, and to rewrite Section 7.4, 7.5, 8, and Appendix B in the original report. The sections and appendix revised by the post-process using the corrected ALGEBRA scripts are provided in this revision. The original report summarizes a series of structural calculations that examine effects of raising the WIPP repository horizon from the original design level upward 2.43 meters. Calculations were then repeated for grid changes appropriate for the new horizon raised to Clay Seam G. Results are presented in three main areas: (1) Disposal room porosity, (2) Disturbed rock zone characteristics, and (3) Anhydrite marker bed failure. No change to the porosity surface for the compliance re-certification application is necessary to account for raising the repository horizon, because the new porosity surface is essentially identical. The disturbed rock zone evolution and devolution are charted in terms of a stress invariant criterion over the regulatory period. This model shows that the propagation of the DRZ into the surrounding rock salt does not penetrate through MB 139 in the case of both the original horizon and the raised room. Damaged salt would be expected to heal in nominally 150 years. The shear failure does not occur in either the upper or lower anhydrite layers at the moment of excavation, but appears above and below the middle of the pillar one day after the excavation. The damaged anhydrite is not expected to heal as the salt in the DRZ is expected to.

This document is the final report for the Antarctica Synthetic Aperture Radar (SAR) Project. The project involved the modification of a Sandia National Laboratories MiniSAR system to operate at X-band in order to assess the feasibility of an airborne radar to detect crevasses in Antarctica. This radar successfully detected known crevasses at various geometries. The best results were obtained for synthetic aperture radar resolutions of at most one foot and finer. In addition to the main goal of detecting crevasses, the radar was used to assess conops for a future operational radar. The radar scanned large areas to identify potential safe landing zones. In addition, the radar was used to investigate looking at objects on the surface and below the surface of the ice. This document includes discussion of the hardware development, system capabilities, and results from data collections in Antarctica.

Environmental legislation related to lead-free soldering technology that have been imposed in several nations are requiring manufacturers to consider several technical and business issues to effectively use the lead-free soldering technology. Several researches for reflow/furnace soldering have focused on tin-silver-copper compositions, commonly referred to as the SAC alloys. These alloys exhibit similar processing performance but presents both solderability and temperature sensitivity issues. The SAC396 alloy has been recommended as a standard replacement for tin/lead solders by the International Electronics Manufacturing Initiative. Long-term reliability is also a primary concern associated with the adaptation of lead-free solder alloys for critical applications. The international soldering community is continuously working to meet the technical challenges of implementing a lead-free soldering technology into consumer and high-reliability electronics.

CHARICE is a multi-platform computer application that analyzes velocity waveform data from ramp-wave experiments to determine a material's quasi-isentropic loading response in stress and density using an iterative characteristics-based approach. The application was built using ITT Visual Information Solutions Interactive Data Language (IDL{reg_sign}), and features graphical interfaces for all user interaction. This report describes the calculation method and available analysis options, and gives instructions for using the application.

This document provides an empirically based performance model for grid-connected photovoltaic inverters used for system performance (energy) modeling and for continuous monitoring of inverter performance during system operation. The versatility and accuracy of the model were validated for a variety of both residential and commercial size inverters. Default parameters for the model can be obtained from manufacturers specification sheets, and the accuracy of the model can be further refined using measurements from either well-instrumented field measurements in operational systems or using detailed measurements from a recognized testing laboratory. An initial database of inverter performance parameters was developed based on measurements conducted at Sandia National Laboratories and at laboratories supporting the solar programs of the California Energy Commission.

Abstract not provided.

Abstract not provided.

An unavoidable by-product of a metallic structure's use is the appearance of crack, corrosion, erosion and other flaws. Economic barriers to the replacement of these structures have created an aging civil and military infrastructure and placed even greater demands on efficient and safe repair and inspection methods. As a result of Homeland Security issues and these aging infrastructure concerns, increased attention has been focused on the rapid repair and preemptive reinforcement of structures such as buildings and bridges. This Laboratory Directed Research and Development (LDRD) program established the viability of using bonded composite patches to repair metallic structures. High modulus fiber-reinforced polymer (FRP) material may be used in lieu of mechanically fastened metallic patches or welds to reinforce or repair damaged structures. Their use produces a wide array of engineering and economic advantages. Current techniques for strengthening steel structures have several drawbacks including requiring heavy equipment for installation, poor fatigue performance, and the need for ongoing maintenance due to continued corrosion attack or crack growth. The use of bonded composite doublers has the potential to correct the difficulties associated with current repair techniques and the ability to be applied where there are currently no rehabilitation options. Applications include such diverse structures as: buildings, bridges, railroad cars, trucks and other heavy machinery, steel power and communication towers, pipelines, factories, mining equipment, ships, tanks and other military vehicles. This LDRD also proved the concept of a living infrastructure by developing custom sensors and self-healing chemistry and linking this technology with the application of advanced composite materials. Structural Health Monitoring (SHM) systems and mountable, miniature sensors were designed to continuously or periodically assess structural integrity. Such systems are able to detect incipient damage before catastrophic failure occurs. The ease of monitoring an entire network of distributed sensors means that structural health assessments can occur more often, allowing operators to be even more vigilant with respect to flaw onset. In addition, the realization of smart structures, through the use of in-situ sensors, allows condition-based maintenance to be substituted for conventional time-based maintenance practices. The sensitivity and reliability of a series of sensor systems was quantified in laboratory and real-world environments. Finally, self healing methods for composite materials were evolved--using resin modules that are released in response to the onset of delaminations--so that these components can provide a living infrastructure with minimal need for human intervention. This program consisted of four related research elements: (1) design, installation, and performance assessment of composite repairs, (2) in-situ sensors for real-time health monitoring, (3) self healing of in-service damage in a repair, and (4) numerical modeling. Deployment of FRP materials and bonded joints requires proper design, suitable surface preparation methods, and adequate surveillance to ensure structural integrity. By encompassing all 'cradle-to-grave' tasks --including design, analysis, installation, durability, flaw containment, and inspection--this program is designed to firmly establish the capabilities of composite doubler repairs and introduce technology to incorporate self-monitoring and self-healing (living structures) methodologies. A proof-of-concept repair was completed on a steel highway bridge in order to demonstrate the potential of composite doubler technology for critical infrastructure use.

This report (Nuclear Power Plant Security Assessment Technical Manual) is a revision to NUREG/CR-1345 (Nuclear Power Plant Design Concepts for Sabotage Protection) that was published in January 1981. It provides conceptual and specific technical guidance for U.S. Nuclear Regulatory Commission nuclear power plant design certification and combined operating license applicants as they: (1) develop the layout of a facility (i.e., how buildings are arranged on the site property and how they are arranged internally) to enhance protection against sabotage and facilitate the use of physical security features; (2) design the physical protection system to be used at the facility; and (3) analyze the effectiveness of the PPS against the design basis threat. It should be used as a technical manual in conjunction with the 'Nuclear Power Plant Security Assessment Format and Content Guide'. The opportunity to optimize physical protection in the design of a nuclear power plant is obtained when an applicant utilizes both documents when performing a security assessment. This document provides a set of best practices that incorporates knowledge gained from more than 30 years of physical protection system design and evaluation activities at Sandia National Laboratories and insights derived from U.S. Nuclear Regulatory Commission technical staff into a manual that describes a development and analysis process of physical protection systems suitable for future nuclear power plants. In addition, selected security system technologies that may be used in a physical protection system are discussed. The scope of this document is limited to the identification of a set of best practices associated with the design and evaluation of physical security at future nuclear power plants in general. As such, it does not provide specific recommendations for the design and evaluation of physical security for any specific reactor design. These best practices should be applicable to the design and evaluation of physical security for all future plants. Note that the original NUREG/CR-1345 remains valid for many light water reactor designs. While the focus of this document is on new plants, existing nuclear power plants and nuclear material facilities may be able to apply these best practices and security system technologies when upgrading or modifying their physical protection systems.

As the power requirements for modern electronics continue to decrease, many devices which were once dependent on wired power are now being implemented as portable devices operating from self-contained power sources. The most prominent source of portable power is the electrochemical battery, which converts chemical energy into electricity. However, long lasting batteries require large amounts of space for chemical storage, and inevitably require replacement when the chemical reaction no longer takes place. There are many transducers and scavenging energy sources (SES) that are able to exploit their environment to generate low levels of electrical power over a long-term time period, including photovoltaic cells, thermoelectric generators, thermionic generators, and kinetic/piezoelectric power generators. This generated power is sustainable as long as specific environmental conditions exist and also does not require the large volume of a long lifetime battery. In addition to the required voltage generation, stable power conversion requires excess energy to be efficiently stored in an ultracapacitor or similar device and monitoring control algorithms to be implemented, while computer modeling and simulation can be used to complement experimental testing. However, building an efficient and stable power source scavenged from a varying input source is challenging.

Abstract not provided.

Abstract not provided.

Abstract not provided.

Abstract not provided.