Publications

The development of carbon-carbon (C-C) composites for aerospace applications has prompted the need for ways to improve the poor oxidation resistance of these materials, In order to evaluate and test materials to be used as thermal protection system (TPS) material the need for readily available and reliable testing methods are critical to the success of materials development efforts, With the purpose to evaluate TPS materials, three testing methods were used to assess materials at high temperatures (> 2000°C) and heat flux in excess of 200 Wcm-2. The first two methods are located at the National Solar Thermal Test Facility (NSTTF) at Sandia National Laboratories, which are the Solar Furnace Facility and the Solar Tower Facility, The third method is an oxyacetylene torch set up according to ASTM E285-80 with oxidizing flame control and maximum achievable temperatures in excess of 2000°C In this study, liquid precursors to ultra high temperature ceramics (UHTCs) have been developed into multilayer coatings on C-C composites and evaluated using the oxidation testing methods. The tests will be discussed in detail and correlated with preliminary materials evaluation results with the aim of presenting an understanding of the testing environment on the materials evaluated for oxidation resistance.

Glass-to-metal (GTM) seals maintain hermeticity while allowing the passage of electrical signals. Typically, these seals are comprised of one or more metal pins encapsulated in a glass which is contained in a metal shell. In compression seals, the coefficient of thermal expansion of the metal shell is greater than the glass, and the glass is expected to be in compression. Recent development builds of a multi-pin GTM seal revealed severe cracking of the glass, with cracks originating at or near the pin-glass interface, and propagating circumferentially. A series of finite element analyses (FEA) was performed for this seal with the material set: 304 stainless steel (SS304) shell, Schott S-8061 (or equivalent) glass, and Alloy 52 pins. Stress-strain data for both metals was fit by linear-hardening and power-law hardening plasticity models. The glass layer thickness and its location with respect to geometrical features in the shell were varied. Several additional design changes in the shell were explored. Results reveal that: (1) plastic deformation in the small-strain regime in the metals lead to radial tensile stresses in glass, (2) small changes in the mechanical behavior of the metals dramatically change the calculated stresses in the glass, and (3) seemingly minor design changes in the shell geometry influence the stresses in the glass significantly. Based on these results, guidelines for materials selection and design of seals are provided.

We establish that clamping effects, which limit accurate determination of piezoelectric responses in bulk materials and films using piezoelectric force microscopy (PFM), are not present when measuring discrete nanostructures with radii less than five times the tip radius. This conclusion is established by comparing the piezoelectric response in ZnO rods using two electrode configurations: one with the conducting atomic force microscopy tip acting as the top electrode and the other using a uniform metal top electrode. The distributions of piezoelectric coefficients measured with these two types of electrode configurations are the same. Hence, clamping issues do not play a role in the piezoelectric property measurement of nanomaterials using PFM. The role of conduction electrons on the piezoelectric measurement in both cases is also discussed. © 2008 American Institute of Physics.

Thermal gravimetric analysis (TGA) combined with evolved gas analysis by Fourier transform infrared spectroscopy (FTIR) or mass spectrometry (MS) often is used to study thermal decomposition of organic polymers. Frequently, results are used to determine decomposition mechanisms and to develop rate expressions for a variety of applications, which include hazard analyses. Although some current TGA instruments operate with controlled heating rates as high as 500° C/min, most experiments are done at much lower heating rates of about 5° to 50° C/min to minimize temperature gradients in the sample. The intended applications, such as hazard analyses involving fire environments, for rate expressions developed from TGA experiments often involve heating rates much greater than 50° C/min. The heating rate can affect polymer decomposition by altering relative rates at which competing decomposition reactions occur. Analysis of the effect of heating rate on competing first-order decomposition reactions with Arrhenius rate constants indicated that relative to heating rates of 5° to 50° C/min, observable changes in decomposition behavior may occur when heating rates approach 1,000° C/min. Results from experiments with poly(methyl methacrylate) (PMMA) samples that were heated at 5° to 50° C/min during TGA-FTIR experiments and results from experiments with samples heated at rates on the order of 1,000° C/min during pyrolysis-GC-FTIR experiments supported the analyses.

The Wind Energy Technology Department at Sandia National Laboratories (SNL) focuses on producing innovations in wind turbine blade technology to enable the development of longer blades that are lighter, more structurally and aerodynamically efficient, and impart reduced loads to the system. A large part of the effort is to characterize the properties of relevant composite materials built with typical manufacturing processes. This paper provides an overview of recent studies of composite laminates for wind turbine blade construction and summarizes test results for three prototype blades that incorporate a variety of material-related innovations.

The Wind Energy Technology Department at Sandia National Laboratories (SNL) focuses on producing innovations in wind turbine blade technology to enable the development of longer blades that are lighter, more structurally and aerodynamically efficient, and impart reduced loads to the system. A large part of the effort is to characterize the properties of relevant composite materials built with typical manufacturing processes. This paper provides an overview of recent studies of composite laminates for wind turbine blade construction and summarizes test results for three prototype blades that incorporate a variety of material-related innovations.

The two-color resonant four-wave mixing (TC-RFWM) is advertised as a unique spectroscopic device enabling one to directly measure the collisional state-to-state transfer characteristics (rates and correlation times). In contrast to the laser-induced fluorescence, these characteristics are phase-sensitive and open wider opportunities to study the rotational relaxation processes. Further perspectives are offered by the recently recorded collision-induced picosecond TC-RFWM signals of OH. Their quantitative interpretation is now under development. © 2008 American Institute of Physics.

The Multi-Mission Radioisotope Thermoelectric Generator (MMRTG) will use an improved version of the General Purpose Heat Source (GPHS) module as its source of thermal power. This new version, referred to as the Step-2 GPHS Module, has additional and thicker layers of carbon fiber material (Fine Weaved Pierced Fabric) for increased strength over the original GPHS module. The GPHS uses alpha decay of 238Pu in the oxide form as the primary source of heat, and small amounts of other actinides are also present in the oxide fuel. Criticality calculations have been performed by previous researchers on the original version of the GPHS module (Step 0). This paper presents criticality calculations for the present Step-2 version. The Monte Carlo N-Particle extended code (MCNPX) was used for these calculations. Numerous configurations of GPHS module arrays surrounded by wet sand and other materials (to reflect the neutrons back into the stack with minimal absorption) were modeled. For geometries with eight GPHS modules (from a single MMRTG) surrounded by wet sand, the configuration is extremely sub-critical; keff is about 0.3. It requires about 1000 GPHS modules (from 125 MMRTGs) in a close-spaced stack to approach criticality (keff = 1.0) when surrounded by wet sand. The effect of beryllium in the MMRTG was found to be relatively small. © 2008 American Institute of Physics.

Silica based glasses are commonly used as window material in applications which are subject to high velocity impacts. Thorough understanding of the response to shock loading in these materials is crucial to the development of new designs. Despite the lack of long range order in amorphous glasses, the structure can be described statistically by the random network model. Changes to the network structure alter the response to shock loading. Results indicate that in fused silica, substitution of boron as a network former does not have a large effect on the shock loading properties while modifying the network with sodium and calcium changes the dynamic response. These initial results suggest the potential of a predictive capability to determine the effects of other network substitutions.

This paper summarizes the numerical site scale model developed to simulate the transport of radionuclides via ground water in the saturated zone beneath Yucca Mountain.

The practical utility of optimization technologies is often impacted by factors that reflect how these tools are used in practice, including whether various real-world constraints can be adequately modeled, the sophistication of the analysts applying the optimizer, and related environmental factors (e.g. whether a company is willing to trust predictions from computational models). Other features are less appreciated, but of equal importance in terms of dictating the successful use of optimization. These include the scale of problem instances, which in practice drives the development of approximate solution techniques, and constraints imposed by the target computing platforms. End-users often lack state-of-the-art computers, and thus runtime and memory limitations are often a significant, limiting factor in algorithm design. When coupled with large problem scale, the result is a significant technological challenge. We describe our experience developing and deploying both exact and heuristic algorithms for placing sensors in water distribution networks to mitigate against damage due intentional or accidental introduction of contaminants. The target computing platforms for this application have motivated limited-memory techniques that can optimize large-scale sensor placement problems. © 2008 Springer Berlin Heidelberg.

Preparing Computer Aided Design models for successful mesh generation continues to be a crucial part of the design to analysis process. A common problem in CAD models is features that are very small compared to the desired mesh size. Small features exist for a variety of reasons and can require an excessive amount of elements or inhibit mesh generation all together. Many of the tools for removing small features modify only the topology of the model (often in a secondary topological representation of the model) leaving the underlying geometry as is. The availability of tools that actually modify the topology and underlying geometry in the boundary representation (B-rep) model is much more limited regardless of the inherent advantages of this approach. This paper presents a process for removing small featrues from a B-rep model using almost solely functionality provided by the underlying solid modeling kernel. The process cuts out the old topology and reconstructs new topology and geometry to close the volume. The process is quite general and can be applied to complex configurations of unwanted topology.

Systems in flight often encounter environments with combined vibration and constant acceleration. Sandia National Laboratories has developed a new system capable of combining these environments for hardware qualification testing on a centrifuge. To demonstrate that combined vibration plus centrifuge acceleration is equivalent to the vibration and acceleration encountered in a flight environment the equations of motion of a spring mass damper system in each environment were derived and compared. These equations of motion suggest a decrease in natural frequency for spring mass damper systems undergoing constant rotational velocity on a centrifuge. It was shown mathematically and through experimental testing that the natural frequency of a spring-mass system will decrease with increased rotational velocity. An increase of rotational velocity will eventually result in system instability. The development and testing of a mechanical system to demonstrate this characteristic is discussed. Results obtained from frequency domain analysis of time domain data is presented as is the implications these results conclude about centrifuge testing of systems with low natural frequency on small radius centrifuges.

Quantitative studies of material properties and interfaces using the atomic force microscope (AFM) have important applications in engineering, biotechnology and chemistry. Emerging studies require an estimate of the stiffness of the probe so that the forces exerted on a sample can be determined from the measured displacements. Numerous methods for determining the spring constant of AFM cantilevers have been proposed, yet none accounts for the effect of the mass of the probe tip on the calibration procedure. This work demonstrates that the probe tip does have a significant effect on the dynamic response of an AFM cantilever by experimentally measuring the first few modes of a commercial AFM probe and comparing them with those of a theoretical model for a cantilever probe that does not have a tip. The mass and inertia of an AFM probe tip are estimated from scanning electron microscope images and a simple model for the probe is derived and tuned to match the first few modes of the actual probe. Analysis suggests that both the method of Sader and the thermal tune method of Hutter and Bechhoefer give erroneous predictions of the area density or the effective mass of the probe. However, both methods do accurately predict the static stiffness of the AFM probe due to the fact that the mass terms cancel so long as the mode shape of the AFM probe does not deviate from the theoretical model. The calibration errors that would be induced due to differences between mode shapes measured in this study and the theoretical ones are estimated.

A large volume-headspace apparatus that permits the heating of pottery fragments for direct analysis by gas chromatography/mass spectrometry (GC/MS) is described here. A series of fermented-corn beverages were produced in modern clay pots and the pots were analyzed to develop organic-species profiles for comparison with fragments of ancient pottery. Brewing pots from the Tarahumara of northern Mexico, a tribe that produces a corn-based fermented beverage, were also examined for volatile residues and the organic-species profiles were generated. Finally, organic species were generated from ancient potsherds from an archeological site and compared with the modern spectra. The datasets yielded similar organic species, many of which were identified by computer matching of the resulting mass spectra with the NIST mass spectral library. Additional analyses are now underway to highlight patterns of organic species common to all the spectra. This presentation demonstrates the utility of thermal desorption coupled with GC/MS for detecting fermentation residues in the fabric of unglazed archaeological ceramics after centuries of burial. © 2008 Materials Research Society.

Abstract not provided.

Advancements in our capabilities to accurately model physical systems using high resolution finite element models have led to increasing use of models for prediction of physical system responses. Yet models are typically not used without first demonstrating their accuracy or, at least, adequacy. In high consequence applications where model predictions are used to make decisions or control operations involving human life or critical systems, a movement toward accreditation of mathematical model predictions via validation is taking hold. Model validation is the activity wherein the predictions of mathematical models are demonstrated to be accurate or adequate for use within a particular regime. Though many types of predictions can be made with mathematical models, not all predictions have the same impact on the usefulness of a model. For example, predictions where the response of a system is greatest may be most critical to the adequacy of a model. Therefore, a model that makes accurate predictions in some environments and poor predictions in other environments may be perfectly adequate for certain uses. The current investigation develops a general technique for validating mathematical models where the measures of response are weighted in some logical manner. A combined experimental and numerical example that demonstrates the validation of a system using both weighted and non-weighted response measures is presented.

We investigated the synthesis of bismuth oxy-iodide and iodate compounds, in an effort to develop materials for iodine recovery from caustic waste streams and/or final waste disposal if repository conditions included ambient conditions similar to those under which the iodine was initially captured. The results presented involve the in-situ crystallization of layered bismuth oxide compounds with aqueous dissolved iodine (which resides as both iodide and iodate in solution). Although single-phase bismuth oxy-iodide materials have already been described in the context of capturing radioiodine, our unique contribution is the discovery that there is a mixture of Bi-O-I compositions, not described in the prior work, which optimize both the uptake and the degree of insolubility (and leachability) of iodine. The optimized combination produces a durable material that is suitable as a waste form for repository conditions such as are predicted at the Yucca Mountain repository (YMP) or in a similar type of repository that could be developed in coordination with iodine production via Global Nuclear Energy Program (GNEP) production cycles. © 2008 Materials Research Society.

Peridynamics (PD) is a continuum theory that employs a nonlocal model to describe material properties. In this context, nonlocal means that continuum points separated by a finite distance may exert force upon each other. A meshless method results when PD is discretized with material behavior approximated as a collection of interacting particles. This paper describes how PD can be implemented within a molecular dynamics (MD) framework, and provides details of an efficient implementation. This adds a computational mechanics capability to an MD code, enabling simulations at mesoscopic or even macroscopic length and time scales. © 2008 Elsevier B.V.

Cellular autofluorescence, though ubiquitous when imaging cells and tissues, is often assumed to be small in comparison to the signal of interest. Uniform estimates of autofluorescence intensity obtained from separate control specimens are commonly employed to correct for autofluorescence. While these may be sufficient for high signal-to-background applications, improvements in detector and probe technologies and introduction of spectral imaging microscopes have increased the sensitivity of fluorescence imaging methods, exposing the possibility of effectively probing the low signal-to-background regime. With spectral imaging, reliable monitoring of signals near or even below the noise levels of the microscope is possible if autofluorescence and background signals can be accurately compensated for. We demonstrate the importance of accurate autofluorescence determination and utility of spectral imaging and multivariate analysis methods using a case study focusing on fluorescence confocal spectral imaging of host-pathogen interactions. In this application fluorescent proteins are produced when bacteria invade host cells. Unfortunately the analyte signal is spectrally overlapped and typically weaker than the cellular autofluorescence. In addition to discussing the advantages of spectral imaging for following pathogen invasion, we present the spectral properties of mouse macrophage autofluorescence. The imaging and analysis methods developed are widely applicable to cell and tissue imaging. © 2008 Copyright SPIE - The International Society for Optical Engineering.

Force and moment measurements have been made on an instrumented subscale fin model at transonic speeds in Sandia's Trisonic Wind Tunnel to ascertain the effects of Mach number and angle of attack on the interaction of a trailing vortex with a downstream control surface. Components of normal force, bending moment, and hinge moment were measured on an instrumented fin downstream of an identical fin at Mach numbers between 0.85 and 1.24, and combinations of angles of attack between -5° and 10° for both fins. The primary influence of upstream fin deflection is to shift the downstream fin's forces in a direction consistent with the vortex-induced angle of attack on the downstream fin. Secondary non-linear effects of vortex lift were found to increase the slopes of normal force and bending moment coefficients when plotted versus fin deflection angle. This phenomenon was dependent upon Mach number and the angles of attack of both fins. The hinge moment coefficient was also influenced by the vortex lift as the center of pressure was pushed aft with increased Mach number and total angle of attack.

In 2002, Sandia National Laboratories (SNL) initiated a research program to demonstrate the use of carbon fiber in wind turbine blades and to investigate advanced structural concepts through the Blade Systems Design Study, known as the BSDS. One of the blade designs resulting from this program, commonly referred to as the BSDS blade, resulted from a systems approach in which manufacturing, structural and aerodynamic performance considerations were all simultaneously included in the design optimization. The BSDS blade design utilizes "flatback" airfoils for the inboard section of the blade to achieve a lighter, stronger blade. Flatback airfoils are generated by opening up the trailing edge of an airfoil uniformly along the camber line, thus preserving the camber of the original airfoil. This process is in distinct contrast to the generation of truncated airfoils, where the trailing edge the airfoil is simply cut off, changing the camber and subsequently degrading the aerodynamic performance. Compared to a thick conventional, sharp trailing-edge airfoil, a flatback airfoil with the same thickness exhibits increased lift and reduced sensitivity to soiling. Although several commercial turbine manufacturers have expressed interest in utilizing flatback airfoils for their wind turbine blades, they are concerned with the potential extra noise that such a blade will generate from the blunt trailing edge of the flatback section. In order to quantify the noise generation characteristics of flatback airfoils, Sandia National Laboratories has conducted a wind tunnel test to measure the noise generation and aerodynamic performance characteristics of a regular DU97-300-W airfoil, a 10% trailing edge thickness flatback version of that airfoil, and the flatback fitted with a trailing edge treatment. The paper describes the test facility, the models, and the test methodology, and provides some preliminary results from the test.

This report focuses on our recent advances in the fabrication and processing of barium strontium titanate (BST) thin films by chemical solution depositiion for next generation fuctional integrated capacitors. Projected trends for capacitors include increasing capacitance density, decreasing operating voltages, decreasing dielectric thickness and decreased process cost. Key to all these trends is the strong correlation of film phase evolution and resulting microstructure, it becomes possible to tailor the microstructure for specific applications. This interplay will be discussed in relation to the resulting temperature dependent dielectric response of the BST films.

To protect drinking water systems, a contamination warning system can use in-line sensors to detect accidental and deliberate contamination. Currently, detection of an incident occurs when data from a single station detects an anomaly. This paper considers the possibility of combining data from multiple locations to reduce false alarms and help determine the contaminant's injection source and time. If we consider the location and time of individual detections as points resulting from a random space-time point process, we can use Kulldorff's scan test to find statistically significant clusters of detections. Using EPANET, we simulate a contaminant moving through a water network and detect significant clusters of events. We show these significant clusters can distinguish true events from random false alarms and the clusters help identify the time and source of the contaminant. Fusion results show reduced errors with only 25% more sensors needed over a nonfusion approach. © 2008 ASCE.

We propose scalable models and centralized heuristics for the concurrent and coordinated movement of multiple sinks in a wireless sensor network (WSN). The proposed centralized heuristic runs in polynomial time given the solution to the linear program and achieves results that are within 2% of the LP-relaxation-based upper bound. It provides a useful benchmark for evaluating centralized and distributed schemes for controlled sink mobility. © 2008 IEEE.