Detonation cell widths, which provide a measure of detonability of a mixture, were measured for hydrocarbon-air and hydrogen-air-diluent mixtures. Results were obtained from a 0.43-m-diameter, 13.1-m-long heated detonation tube with an initial pressure of 101 kPa and an initial temperature between 25 and 100°C. The cell widths of simple cyclic hydrocarbons are somewhat smaller than those of comparable straight-chain alkanes. Cyclic hydrocarbons tested generally had similar cell sizes despite differences in degree of bond saturation, bond strain energy, oxygen substitution, and chemical structure. There was a significant reduction in the cell width of octane, a straight-chain alkane, when it was mixed with small quantities of hexyl nitrate. The effect of a diluent, such as steam and carbon dioxide, on the cell width of a hydrogen-air mixture is shown over a wide range of mixture stoichiometries. The data illustrate the effects of initial temperature and pressure on the cell width when compared to previous studies. Not only is carbon dioxide more effective than steam at increasing the mixture cell width, but also its effectiveness increases relative to that of steam with increasing concentrations. The detonability limits, which are dependent on the facility geometry and type of initiator used in this study, were measured for fuel-lean and fuel-rich hydrogen-air mixtures and stoichiometric hydrogen-air mixtures diluted with steam. The detonability limits are nominally at the flammability limits for hydrogen-air mixtures. The subcellular structure within a fuel-lean hydrogen-air detonation cell was recorded using a sooted foil. The uniform fine structure of the self-sustained transverse wave and the irregular structure of the overdriven lead shock wave are shown at the triple point path that marks the boundary between detonation cells.
The results of experiments examining the thermal decomposition of N 2 O and its reactivity with methane in supercritical water at approximately 500°C and 30 MPa are presented. The rate of thermal decomposition is observed to be close to the rate predicted by extrapolating an Arrhenius expression from the literature that has been shown to be valid at 750°C and 1.0 MPa. The observed first-order rate constant at 500°C is 9.4 × 10 -6 s -1 . There is no significant effect on N 2 O stability due to the presence of supercritical water relative to ambient pressure. Measurements exploring the conversion rate of methane in the presence of N 2 O reveal that simple oxidation chemistry competes with polymerization. The data suggest that much of the carbon in the system is converted to (CH 2 ) n oligomers that separates from the supercritical phase. A detailed kinetic mechanism is used to explore characteristics of these competing processes.
Direct numerical simulation (DNS) with complex chemistry was used to study statistics of displacement and consumption speeds in turbulent lean premixed methane-air flames. The main focus of the study is an evaluation of the extent to which a turbulent flame in the thin reaction zones regime can be described by an ensemble of strained laminar flames. Conditional averages with respect to strain for displacement and consumption speeds are presented over a wide range of strain typically encountered in a turbulent flame, compared with previous studies that either made local pointwise comparisons or conditioned the data on small strain and curvature. The conditional averages for positive strains are compared with calculated data from two different canonical strained laminar configurations to determine which is the optimal representation of a laminar flame structure embedded in a turbulent flame: the reactant-to-product (R-to-P) configuration or the symmetric twin flame configuration. Displacement speed statistics are compared for the progress-variable isosurface of maximum reaction rate and an isosurface toward the fresh gases, which are relevant for both modeling and interpretation of experiment results. Displacement speeds in the inner reaction layer are found to agree very well with the laminar R-to-P calculations over a wide range of strain for higher Damköhler number conditions, well beyond the regime in which agreement was expected. For lower Damköhler numbers, a reduced response to strain is observed, consistent with previous studies and theoretical expectations. Compared with the inner layer, broader and shifted probability density functions (PDFs) of displacement speed were observed in the fresh gases, and the agreement with the R-to-P calculations deteriorated. Consumption speeds show a poorer agreement with strained laminar calculations, which is attributed to multidimensional effects and a more attenuated unsteady response to strain fluctuations; however, they also show less departure from the unstrained laminar value, suggesting that detailed modeling of this quantity may not be critical for the conditions considered. For all quantities investigated, including CO production, the R-to-P laminar configuration provides an improved description relative to the twin flame configuration, which predicts qualitatively incorrect trends and overestimates extinction.
Domain decomposed Monte Carlo codes, like other domain-decomposed codes, are difficult to debug. Domain decomposition is prone to error, and interactions between the domain decomposition code and the rest of the algorithm often produces subtle bugs. These bugs are particularly difficult to find in a Monte Carlo algorithm, in which the results have statistical noise. Variations in the results due to statistical noise can mask errors when comparing the results to other simulations or analytic results. If a code can get the same result on one domain as on many, debugging the whole code is easier. This reproducibility property is also desirable when comparing results done on different numbers of processors and domains. We describe how reproducibility, to machine precision, is obtained on different numbers of domains in an Implicit Monte Carlo photonics code.
In an on going study of gap bridging for thin plate Nd:YAG laser lap welds, empirical data, high speed imaging, and computer modeling were utilized to better understand surface physics attributed to the formation and solidification of a weld pool. Experimental data indicates better gap bridging can be achieved through optimized laser parameters such as pulse length, duration, and energy. Long pulse durations at low energies generating low peak powers were found to create the highest percent of gap bridging ability. At constant peak power, gap-bridging ability was further improved by using a smaller spot diameter resulting in higher irradiances. Hence, welding in focus is preferable for bridging gaps. Gas shielding was also found to greatly impact gap-bridging ability. Gapped lap welds that could not be bridged with UHP Argon gas shielding, were easily bridged when left unshielded and exposed to only air. Incident weld angle and joint offset were also investigated for their ability to improve gap bridging. Optical filters and brightlight surface illumination enabled high-speed imaging to capture the fluid dynamics of a forming and solidifying weld pool. The effects of various laser parameters and the weld pool's interaction with the laser beam could also be observed utilizing the high-speed imaging. The work described is used to develop and validate a computer model with improved weld pool physics. Finite element models have been used to derive insight into the physics of gap bridging. The dynamics of the fluid motion within the weld pool in conjunction with the free surface physics have been the primary focus of the modeling efforts. Surface tension has been found to be a more significant factor in determining final weld pool shape than expected.
This report presents a initial validation strategy for specific SNL pulsed power program applications of the ALEGRA-HEDP radiation-magnetohydrodynamics computer code. The strategy is written to be (1) broadened and deepened with future evolution of particular specifications given in this version; (2) broadly applicable to computational capabilities other than ALEGRA-HEDP directed at the same pulsed power applications. The content and applicability of the document are highly constrained by the R&D thrust of the SNL pulsed power program. This means that the strategy has significant gaps, indicative of the flexibility required to respond to an ongoing experimental program that is heavily engaged in phenomena discovery.
This report is an independent assessment of the potential for karst dissolution in evaporitic strata of the Rustler Formation at the Waste Isolation Pilot Plant (WIPP) site. Review of the available data suggests that the Rustler strata thicken and thin across the area in depositional patterns related to lateral variations in sedimentary accommodation space and normal facies changes. Most of the evidence that has been offered for the presence of karst in the subsurface has been used out of context, and the different pieces are not mutually supporting. Outside of Nash Draw, definitive evidence for the development of karst in the Rustler Formation near the WIPP site is limited to the horizon of the Magenta Member in drillhole WIPP-33. Most of the other evidence cited by the proponents of karst is more easily interpreted as primary sedimentary structures and the localized dissolution of evaporitic strata adjacent to the Magenta and Culebra water-bearing units. Some of the cited evidence is invalid, an inherited baggage from studies made prior to the widespread knowledge of modern evaporite depositional environments and prior to the existence of definitive exposures of the Rustler Formation in the WIPP shafts. Some of the evidence is spurious, has been taken out of context, or is misquoted. Lateral lithologic variations from halite to mudstone within the Rustler Formation under the WIPP site have been taken as evidence for the dissolution of halite such as that seen in Nash Draw, but are more rationally explained as sedimentary facies changes. Extrapolation of the known karst features in Nash Draw eastward to the WIPP site, where conditions are and have been significantly different for half a million years, is unwarranted. The volumes of insoluble material that would remain after dissolution of halite would be significantly less than the observed bed thicknesses, thus dissolution is an unlikely explanation for the lateral variations from halite to mudstone and siltstone. Several surficial depressions at WIPP, suggested to be sinkholes, do not have enough catchment area to form a sinkhole, and holes drilled to investigate the subsurface strata do not support a sinkhole interpretation. Surface drainage across the WIPP site is poorly developed because it has been disrupted by migrating sand dunes and because precipitation is not focused by defined catchment areas in this region of low precipitation and low-dip bedding, not because it has been captured by sinkholes. There are no known points of discharge from the Rustler Formation at WIPP that would indicate the presence of a subsurface karst drainage system. The existing drillholes across the WIPP site, though small in diameter, are sufficient to assess the probability of karst development along the horizontal fractures that are common in the Rustler Formation, and the area of investigation has been augmented significantly by the mapping of four large-diameter shafts excavated into the WIPP repository. The general absence of dissolution, karsting, and related conduits is corroborated by the pumping tests which have interrogated large volumes of the Rustler Formation between drillholes. Diffusion calculations suggest that separate isotopic signatures for the water found in the fractures and the water found in the pores of the matrix rock between fractures are unlikely, thus the isotopic evidence for ancient Rustler formation waters is valid. Geophysical techniques show a number of anomalies, but the anomalies do not overlap to portray consistent and mutually supporting patterns that can be definitively related to karst void space at any given location. The coincidence of the Culebra and Magenta potentiometric heads between Nash Draw and the WIPP site is the inevitable intersection of two non-parallel surfaces rather than an indication of karst-related hydraulic communication between the two units. The proponents of karst in the Rustler Formation at the WIPP site tend to mix data, to take data out of context, and to offer theory as fact. They do not analyze the data or synthesize it into a rigorous, mutually supporting framework. They assume that the existence of an anomaly rather than the specific characteristics of that anomaly proves the existence of intra-stratal karst in the Rustler Formation. In most cases, the interpretations of karst offered are non-unique interpretations of data for which more plausible interpretations exist.
In March 2005, the United States Coast Guard requested that Sandia National Laboratories provide a technical review and evaluation of the appropriateness and completeness of models, assumptions, analyses, and risk management options presented in the Cabrillo Port LNG Deepwater Port Independent Risk Assessment-Revision 1 (Cabrillo Port IRA). The goal of Sandia's technical evaluation of the Cabrillo Port IRA was to assist the Coast Guard in ensuring that the hazards to the public and property from a potential LNG spill during transfer, storage, and regasification operations were appropriately evaluated and estimated. Sandia was asked to review and evaluate the Cabrillo Port IRA results relative to the risk and safety analysis framework developed in the recent Sandia report, ''Guidance on Risk Analysis and Safety Implications of a Large Liquefied Natural Gas (LNG) Spill over Water''. That report provides a framework for assessing hazards and identifying approaches to minimize the consequences to people and property from an LNG spill over water. This report summarizes the results of the Sandia review of the Cabrillo Port IRA and supporting analyses. Based on our initial review, additional threat and hazard analyses, consequence modeling, and process safety considerations were suggested. The additional analyses recommended were conducted by the Cabrillo Port IRA authors in cooperation with Sandia and a technical review panel composed of representatives from the Coast Guard and the California State Lands Commission. The results from the additional analyses improved the understanding and confidence in the potential hazards and consequences to people and property from the proposed Cabrillo Port LNG Deepwater Port Project. The results of the Sandia review, the additional analyses and evaluations conducted, and the resolutions of suggested changes for inclusion in a final Cabrillo Port IRA are summarized in this report.
Constitutive models for chemically reacting networks are formulated based on a generalization of the independent network hypothesis. These models account for the coupling between chemical reaction and strain histories, and have been tested by comparison with microscopic molecular dynamics simulations. An essential feature of these models is the introduction of stress transfer functions that describe the interdependence between crosslinks formed and broken at various strains. Efforts are underway to implement these constitutive models into the finite element code Adagio. Preliminary results are shown that illustrate the effects of changing crosslinking and scission rates and history.
Many engineering application problems use optimization algorithms in conjunction with numerical simulators to search for solutions. The formulation of relevant objective functions and constraints dictate possible optimization algorithms. Often, a gradient based approach is not possible since objective functions and constraints can be nonlinear, nonconvex, non-differentiable, or even discontinuous and the simulations involved can be computationally expensive. Moreover, computational efficiency and accuracy are desirable and also influence the choice of solution method. With the advent and increasing availability of massively parallel computers, computational speed has increased tremendously. Unfortunately, the numerical and model complexities of many problems still demand significant computational resources. Moreover, in optimization, these expenses can be a limiting factor since obtaining solutions often requires the completion of numerous computationally intensive simulations. Therefore, we propose a multifidelity optimization algorithm (MFO) designed to improve the computational efficiency of an optimization method for a wide range of applications. In developing the MFO algorithm, we take advantage of the interactions between multi fidelity models to develop a dynamic and computational time saving optimization algorithm. First, a direct search method is applied to the high fidelity model over a reduced design space. In conjunction with this search, a specialized oracle is employed to map the design space of this high fidelity model to that of a computationally cheaper low fidelity model using space mapping techniques. Then, in the low fidelity space, an optimum is obtained using gradient or non-gradient based optimization, and it is mapped back to the high fidelity space. In this paper, we describe the theory and implementation details of our MFO algorithm. We also demonstrate our MFO method on some example problems and on two applications: earth penetrators and groundwater remediation.
This report documents a field trial program carried out at Well No.15 located at Kirtland Air Force Base, Albuquerque, New Mexico, to evaluate the performance of two relatively new arsenic removal media, ALCAN-AASF50 (ferric coated activated alumina) and granular ferric hydroxide (US Filter-GFH). The field trial program showed that both media were able to remove arsenate and meet the new total arsenic maximum contaminant level (MCL) in drinking water of 10 {micro}g/L. The arsenate removal capacity was defined at a breakthrough effluent concentration of 5 {micro}g/L arsenic (50% of the arsenic MCL of 10 {micro}g/L). At an influent pH of 8.1 {+-} 0.4, the arsenate removal capacity of AASF50 was 33.5 mg As(V)/L of dry media (29.9 {micro}g As(V)/g of media on a dry basis). At an influent pH of 7.2 {+-} 0.3, the arsenate removal capacity of GFH was 155 mg As(V)/L of wet media (286 {micro}g As(V)/g of media on a dry basis). Silicate, fluoride, and bicarbonate ions are removed by ALCAN AASF50. Chloride, nitrate, and sulfate ions were not removed by AASF50. The GFH media also removed silicate and bicarbonate ions; however, it did not remove fluoride, chloride, nitrate, and sulfate ions. Differences in the media performance partly reflect the variations in the feed-water pH between the 2 tests. Both the exhausted AASF50 and GFH media passed the Toxicity Characteristic Leaching Procedure (TCLP) test with respect to arsenic and therefore could be disposed as nonhazardous waste.
In this report, we systematically evaluate the ability of current-generation, satellite-based spectroscopic sensors to distinguish uranium mines and mills from other mineral mining and milling operations. We perform this systematic evaluation by (1) outlining the remote, spectroscopic signal generation process, (2) documenting the capabilities of current commercial satellite systems, (3) systematically comparing the uranium mining and milling process to other mineral mining and milling operations, and (4) identifying the most promising observables associated with uranium mining and milling that can be identified using satellite remote sensing. The Ranger uranium mine and mill in Australia serves as a case study where we apply and test the techniques developed in this systematic analysis. Based on literature research of mineral mining and milling practices, we develop a decision tree which utilizes the information contained in one or more observables to determine whether uranium is possibly being mined and/or milled at a given site. Promising observables associated with uranium mining and milling at the Ranger site included in the decision tree are uranium ore, sulfur, the uranium pregnant leach liquor, ammonia, and uranyl compounds and sulfate ion disposed of in the tailings pond. Based on the size, concentration, and spectral characteristics of these promising observables, we then determine whether these observables can be identified using current commercial satellite systems, namely Hyperion, ASTER, and Quickbird. We conclude that the only promising observables at Ranger that can be uniquely identified using a current commercial satellite system (notably Hyperion) are magnesium chlorite in the open pit mine and the sulfur stockpile. Based on the identified magnesium chlorite and sulfur observables, the decision tree narrows the possible mineral candidates at Ranger to uranium, copper, zinc, manganese, vanadium, the rare earths, and phosphorus, all of which are milled using sulfuric acid leaching.