In this report we present a model to explain the size-dependent shapes of lead nano-precipitates in aluminum. Size-dependent shape transitions, frequently observed at nanolength scales, are commonly attributed to edge energy effects. This report resolves an ambiguity in the definition and calculation of edge energies and presents an atomistic calculation of edge energies for free clusters. We also present a theory for size-dependent shapes of Pb nanoprecipitates in Al, introducing the concept of ''magic-shapes'' defined as precipitate shapes having near zero elastic strains when inserted into similarly shaped voids in the Al matrix. An algorithm for constructing a complete set of magic-shapes is presented. The experimental observations are explained by elastic strain energies and interfacial energies; edge energies play a negligible role. We replicate the experimental observations by selecting precipitates having magic-shapes and interfacial energies less than a cutoff value.
Effective elastic properties for carbon nanotube reinforced composites are obtained through a variety of micromechanics techniques. Using the in-plane elastic properties of graphene, the effective properties of carbon nanotubes are calculated utilizing a composite cylinders micromechanics technique as a first step in a two-step process. These effective properties are then used in the self-consistent and Mori-Tanaka methods to obtain effective elastic properties of composites consisting of aligned single or multi-walled carbon nanotubes embedded in a polymer matrix. Effective composite properties from these averaging methods are compared to a direct composite cylinders approach extended from the work of Hashin and Rosen (1964) and Christensen and Lo (1979). Comparisons with finite element simulations are also performed. The effects of an interphase layer between the nanotubes and the polymer matrix as result of functionalization is also investigated using a multi-layer composite cylinders approach. Finally, the modeling of the clustering of nanotubes into bundles due to interatomic forces is accomplished herein using a tessellation method in conjunction with a multi-phase Mori-Tanaka technique. In addition to aligned nanotube composites, modeling of the effective elastic properties of randomly dispersed nanotubes into a matrix is performed using the Mori-Tanaka method, and comparisons with experimental data are made. Computational micromechanical analysis of high-stiffness hollow fiber nanocomposites is performed using the finite element method. The high-stiffness hollow fibers are modeled either directly as isotropic hollow tubes or equivalent transversely isotropic effective solid cylinders with properties computed using a micromechanics based composite cylinders method. Using a representative volume element for clustered high-stiffness hollow fibers embedded in a compliant matrix with the appropriate periodic boundary conditions, the effective elastic properties are obtained from the finite element results. These effective elastic properties are compared to approximate analytical results found using micromechanics methods. The effects of an interphase layer between the high-stiffness hollow fibers and matrix to simulate imperfect load transfer and/or functionalization of the hollow fibers is also investigated and compared to a multi-layer composite cylinders approach. Finally the combined effects of clustering with fiber-matrix interphase regions are studied. The parametric studies performed herein were motivated by and used properties for single-walled carbon nanotubes embedded in an epoxy matrix, and as such are intended to serve as a guide for continuum level representations of such nanocomposites in a multi-scale modeling approach.
Technical assessment and remodeling of existing data indicates that the Richton salt dome, located in southeastern Mississippi, appears to be a suitable site for expansion of the U.S. Strategic Petroleum Reserve. The maximum area of salt is approximately 7 square miles, at a subsurface elevation of about -2000 ft, near the top of the salt stock. Approximately 5.8 square miles of this appears suitable for cavern development, because of restrictions imposed by modeled shallow salt overhang along several sides of the dome. The detailed geometry of the overhang currently is only poorly understood. However, the large areal extent of the Richton salt mass suggests that significant design flexibility exists for a 160-million-barrel storage facility consisting of 16 ten-million-barrel caverns. The dome itself is prominently elongated from northwest to southeast. The salt stock appears to consist of two major spine features, separated by a likely boundary shear zone trending from southwest to northeast. The dome decreases in areal extent with depth, because of salt flanks that appear to dip inward at 70-80 degrees. Caprock is present at depths as shallow as 274 ft, and the shallowest salt is documented at -425 ft. A large number of existing two-dimensional seismic profiles have been acquired crossing, and in the vicinity of, the Richton salt dome. At least selected seismic profiles should be acquired, examined, potentially reprocessed, and interpreted in an effort to understand the limitations imposed by the apparent salt overhang, should the Richton site be selected for actual expansion of the Reserve.
This report summarizes the results of an effort to establish a framework for assigning and communicating technology readiness levels (TRLs) for the modeling and simulation (ModSim) capabilities at Sandia National Laboratories. This effort was undertaken as a special assignment for the Weapon Simulation and Computing (WSC) program office led by Art Hale, and lasted from January to September 2006. This report summarizes the results, conclusions, and recommendations, and is intended to help guide the program office in their decisions about the future direction of this work. The work was broken out into several distinct phases, starting with establishing the scope and definition of the assignment. These are characterized in a set of key assertions provided in the body of this report. Fundamentally, the assignment involved establishing an intellectual framework for TRL assignments to Sandia's modeling and simulation capabilities, including the development and testing of a process to conduct the assignments. To that end, we proposed a methodology for both assigning and understanding the TRLs, and outlined some of the restrictions that need to be placed on this process and the expected use of the result. One of the first assumptions we overturned was the notion of a ''static'' TRL--rather we concluded that problem context was essential in any TRL assignment, and that leads to dynamic results (i.e., a ModSim tool's readiness level depends on how it is used, and by whom). While we leveraged the classic TRL results from NASA, DoD, and Sandia's NW program, we came up with a substantially revised version of the TRL definitions, maintaining consistency with the classic level definitions and the Predictive Capability Maturity Model (PCMM) approach. In fact, we substantially leveraged the foundation the PCMM team provided, and augmented that as needed. Given the modeling and simulation TRL definitions and our proposed assignment methodology, we conducted four ''field trials'' to examine how this would work in practice. The results varied substantially, but did indicate that establishing the capability dependencies and making the TRL assignments was manageable and not particularly time consuming. The key differences arose in perceptions of how this information might be used, and what value it would have (opinions ranged from negative to positive value). The use cases and field trial results are included in this report. Taken together, the results suggest that we can make reasonably reliable TRL assignments, but that using those without the context of the information that led to those results (i.e., examining the measures suggested by the PCMM table, and extended for ModSim TRL purposes) produces an oversimplified result--that is, you cannot really boil things down to just a scalar value without losing critical information.
Experimental data for material plasticity and failure model calibration and validation were obtained from 304L stainless steel. Model calibration data were taken from smooth tension, notched tension, and compression tests. Model validation data were provided from experiments using thin-walled tube specimens subjected to path dependent combinations of internal pressure, extension, and torsion.
Sandia National Laboratories has developed high-energy all-solid-state UV sources for use in laboratory tests of the feasibility of satellite-based ozone DIAL. These sources generate 320 nm light by sum-frequency mixing the 532 nm second harmonic of an Nd:YAG laser with the 803 nm signal light derived from a self-injection-seeded image-rotating optical parametric oscillator (OPO). The OPO cavity utilizes the RISTRA geometry, denoting rotated-image singly-resonant twisted rectangle. Two configurations were developed, one using extra-cavity sum-frequency mixing, where the sum-frequency-generation (SFG) crystal is outside the OPO cavity, and the other intra-cavity mixing, where the SFG crystal is placed inside the OPO cavity. Our goal was to obtain 200 mJ, 10 ns duration, 320 nm pulses at 10 Hz with near-IR to UV (1064 nm to 320 nm) optical conversion efficiency of 25%. To date we've obtained 190 mJ at 320 nm using extra-cavity SFG with 21% efficiency, and > 140 mJ by intra-cavity SFG with efficiency approaching 24%. While these results are encouraging, we've determined our conversion efficiency can be enhanced by replacing self-seeding at the signal wavelength of 803 nm with pulsed idler seeding at 1576 nm. By switching to idler seeding and increasing the OPO cavity dimensions to accommodate flat-top beams with diameters up to 10 mm, we expect to generate UV energies approaching 300 mJ with optical conversion efficiency approaching 25%. While our technology was originally designed to obtain high pulse energies, it can also be used to generate low-energy UV pulses with high efficiency. Numerical simulations using an idler-seeded intra-cavity SFG RISTRA OPO scaled to half its nominal dimensions yielded 560 μJ of 320 nm light from 2 mJ of 532 nm pump using an idler-seed energy of 100 μJ.
This paper reports on a novel approach to atmospheric cloud segmentation from a space based multi-spectral pushbroom satellite system. The satellite collects 15 spectral bands ranging from visible, 0.45 urn, to long wave in fared (IR), 10.7um. The images are radiometrically calibrated and have ground sample distances (GSD) of 5 meters for visible to very near IR bands and a GSD of 20 meters for near IR to long wave IR. The algorithm consists of a hybrid-classification system in the sense that supervised and unsupervised networks are used in conjunction. For performance evaluation, a series of numerical comparisons to human derived cloud borders were performed. A set of 33 scenes were selected to represent various climate zones with different land cover from around the world. The algorithm consisted of the following. Band separation was performed to find the band combinations which form significant separation between cloud and background classes. The potential bands are fed into a K-Means clustering algorithm in order to identify areas in the image which have similar centroids. Each cluster is then compared to the cloud and background prototypes using the Jeffries-Matusita distance. A minimum distance is found and each unknown cluster is assigned to their appropriate prototype. A classification rate of 88% was found when using one short wave IR band and one midwave IR band. Past investigators have reported segmentation accuracies ranging from 67% to 80%, many of which require human intervention. A sensitivity of 75% and specificity of 90% were reported as well.
Inorganic nanoclusters dispersed in organic matrices are of importance to a number of emerging technologies. However, obtaining useful properties from such organic-inorganic composites often requires high concentrations of well-dispersed nanoclusters. In order to achieve this goal the chemistry of the particle surface and the matrix must be closely matched. This is based on the premise of minimization of the interfacial free energy; an excess of free energy will cause phase separation and ultimately aggregation. Thus, the optimal system is one in which the nanoclusters are stabilized by the same molecules that make up the encapsulant. Yet, the organic matrix is typically chosen for its bulk properties, and therefore may not be amenable to chemical modification. Also, the organic-inorganic interface is often critical to establishing and maintaining the desired nanocluster (and hence composite) properties, placing further constraints on proposed chemical modification. For these reasons we have adopted the use of aminefunctionalized trimethoxysilanes (ormosils) as an optical grade encapsulant. In this work, we demonstrate that ormosils can produce beneficial optical effects that are derived from interfacial phenomena, which can be maintained throughout the encapsulation process.
A series of field tests sponsored by Sandia National Laboratories has simultaneously demonstrated the hard-rock drilling performance of different industry-supplied drag bits as well as Sandia's new Diagnostics-While-Drilling (DWD) system, which features a novel downhole tool that monitors dynamic conditions in close proximity to the bit. Drilling with both conventional and advanced ("best effort") drag bits was conducted at the GTI Catoosa Test Facility (near Tulsa, OK) in a well-characterized lithologic column that features an extended hard-rock interval of Mississippi limestone above a layer of highly abrasive Misener sandstone and an underlying section of hard Arbuckle dolomite. Output from the DWD system was closely observed during drilling and was used to make real-time decisions for adjusting the drilling parameters. This paper summarizes penetration rate and damage results for the various drag bits, shows representative DWD display data, and illustrates the application of these data for optimizing drilling performance and avoiding trouble.
Many MEMS devices are based on polysilicon because of the current availability of surface micromachining technology. However, polysilicon is not the best choice for devices where extensive sliding and/or thermal fields are applied due to its chemical, mechanical and tribological properties. In this work, we investigated the mechanical properties of three new materials for MEMS/NEMS devices: silicon carbide (SiC) from Case Western Reserve University (CWRU), ultrananocrystalline diamond (UNCD) from Argonne National Laboratory (ANL), and hydrogen-free tetrahedral amorphous carbon (ta-C) from Sandia National Laboratories (SNL). Young's modulus, characteristic strength, fracture toughness, and theoretical strength were measured for these three materials using only one testing methodology - the Membrane Deflection Experiment (MDE) developed at Northwestern University. The measured values of Young's modulus were 430GPa, 960GPa, and 800GPa for SiC, UNCD, and ta-C, repectively. Fracture toughness measurments resulted in values of 3.2, 4.5, and 6.2 MPa×m 1/2, respectively. The strengths were found to follow a Weibull distribution but their scaling was found to be controlled by different specimen size parameters. Therefore, a cross comparison of the strengths is not fully meaningful. We instead propose to compare their theoretical strengths as determined by employing Novozhilov fracture criterion. The estimated theoretical strength for SiC is 10.6GPa at a characteristic length of 58nm, for UNCD is 18.6GPa at a characteristic length of 37nm, and for ta-C is 25.4GPa at a characteristic length of 38nm. The techniques used to obtained these results as well as microscopic fractographic analyses are summarized in the article. We also highlight the importance of characterizing mechanical properties of MEMS materials by means of only one simple and accurate experimental technique.
Experimental modal analysis (EMA) was carried out on a micro-machined acceleration switch to characterize the motions of the device as fabricated and to compare this with analytical results for the nominal design. Finite element analysis (FEA) of the nominal design was used for this comparison. The acceleration switch was a single-crystal silicon disc supported by four fork-shaped springs. We shook the base of the die with step sine type excitation. A Laser Doppler Velocimeter (LDV) in conjunction with a microscope was used to measure the velocities of the die at several points. The desired first three modes of the structure were identified. The fundamental natural frequency that we measured in this experiment gives an estimate of the actuation g-level for the specified stroke. The fundamental resonance and actuation g-level results from the EMA and the FEA showed large variations. The discrepancy prompted thorough dimensional measurement of the acceleration switch, which revealed discrepancies between the nominal design and tested component.