A Tightly Coupled Particle-Fluid Model for DNA-Laden Flows in Complex Microscale Geometries (open access)

A Tightly Coupled Particle-Fluid Model for DNA-Laden Flows in Complex Microscale Geometries

We present a stable and convergent method for the computation of flows of DNA-laden fluids in microchannels with complex geometry. The numerical strategy combines a ball-rod model representation for polymers tightly coupled with a projection method for incompressible viscous flow. We use Cartesian grid embedded boundary methods to discretize the fluid equations in the presence of complex domain boundaries. A sample calculation is presented showing flow through a packed array microchannel in 2D.
Date: November 18, 2004
Creator: Trebotich, D; Miller, G H; Colella, P; Graves, D T; Martin, D F & Schwartz, P O
Object Type: Article
System: The UNT Digital Library
FY 2004 Annual Report: DOE Project on Heavy Vehicle Aerodynamic Drag (open access)

FY 2004 Annual Report: DOE Project on Heavy Vehicle Aerodynamic Drag

The objective of this report is: (1) Provide guidance to industry in the reduction of aerodynamic drag of heavy truck vehicles; and (2) Establish a database of experimental, computational, and conceptual design information, and demonstrate potential of new drag-reduction devices. The approaches used were: (1) Develop and demonstrate the ability to simulate and analyze aerodynamic flow around heavy truck vehicles using existing and advanced computational fluid dynamics (CFD) tools; (2) Through an extensive experimental effort, generate an experimental data base for code validation; (3) Using experimental data base, validate computations; (4) Provide industry with design guidance and insight into flow phenomena from experiments and computations; and (5) Investigate aero devices (e.g., base flaps, tractor-trailer gap stabilizer, underbody skirts and wedges, blowing and acoustic devices), provide industry with conceptual designs of drag reducing devices, and demonstrate the full-scale fuel economy potential of these devices.
Date: November 18, 2004
Creator: McCallen, R. C.; Salari, K.; Ortega, J.; Castellucci, P.; Eastwood, C.; Whittaker, K. et al.
Object Type: Report
System: The UNT Digital Library
Co2 geological sequestration (open access)

Co2 geological sequestration

Human activities are increasingly altering the Earth's climate. A particular concern is that atmospheric concentrations of carbon dioxide (CO{sub 2}) may be rising fast because of increased industrialization. CO{sub 2} is a so-called ''greenhouse gas'' that traps infrared radiation and may contribute to global warming. Scientists project that greenhouse gases such as CO{sub 2} will make the arctic warmer, which would melt glaciers and raise sea levels. Evidence suggests that climate change may already have begun to affect ecosystems and wildlife around the world. Some animal species are moving from one habitat to another to adapt to warmer temperatures. Future warming is likely to exceed the ability of many species to migrate or adjust. Human production of CO{sub 2} from fossil fuels (such as at coal-fired power plants) is not likely to slow down soon. It is urgent to find somewhere besides the atmosphere to put these increased levels of CO{sub 2}. Sequestration in the ocean and in soils and forests are possibilities, but another option, sequestration in geological formations, may also be an important solution. Such formations could include depleted oil and gas reservoirs, unmineable coal seams, and deep saline aquifers. In many cases, injection of CO2 into a …
Date: November 18, 2004
Creator: Xu, Tianfu
Object Type: Article
System: The UNT Digital Library
Thermal Decomposition Kinetics of HMX (open access)

Thermal Decomposition Kinetics of HMX

Nucleation-growth kinetic expressions are derived for thermal decomposition of HMX from a variety of thermal analysis data types, including mass loss for isothermal and constant rate heating in an open pan and heat flow for isothermal and constant rate heating in open and closed pans. Conditions are identified in which thermal runaway is small to nonexistent, which typically means temperatures less than 255 C and heating rates less than 1 C/min. Activation energies are typically in the 140 to 165 kJ/mol range for open pan experiments and about 150 to 165 kJ/mol for sealed pan experiments. Our activation energies tend to be slightly lower than those derived from data supplied by the University of Utah, which we consider the best previous thermal analysis work. The reaction clearly displays more than one process, and most likely three processes, which are most clearly evident in open pan experiments. The reaction is accelerated in closed pan experiments, and one global reaction appears to fit the data well. Comparison of our rate measurements with additional literature sources for open and closed low temperature pyrolysis from Sandia gives a likely activation energy of 165 kJ/mol at 10% conversion.
Date: November 18, 2004
Creator: Burnham, A K & Weese, R K
Object Type: Report
System: The UNT Digital Library
Dose-dependent misrejoining of radiation-induced DNA double-strand breaks in human fibroblasts: Experimental and theoretical study for high and low LET radiation (open access)

Dose-dependent misrejoining of radiation-induced DNA double-strand breaks in human fibroblasts: Experimental and theoretical study for high and low LET radiation

Misrejoining of DNA double-strand breaks (DSBs) was measured in human primary fibroblasts after exposure to X-rays and high LET particles (He, N and Fe) in the dose range 10-80 Gy. To measure joining of wrong DNA ends, the integrity of a 3.2 Mbp restriction fragment was analyzed directly after exposure and after 16 hr of repair incubation. It was found that the misrejoining frequency for X-rays was non-linearly related to dose, with less probability of misrejoining at low doses than at high doses. The dose dependence for the high LET particles, on the other hand, was closer to being linear, with misrejoining frequencies higher than for X-rays particularly at the lower doses. These experimental results were simulated with a Monte-Carlo approach that includes a cell nucleus model with all 46 chromosomes present, combined with realistic track structure simulations to calculate the geometrical positions of all DSBs induced for each dose. The model assumes that the main determinant for misrejoining probability is the distance between two simultaneously present DSBs. With a Gaussian interaction probability function with distance, it was found that both the low and high LET data could be fitted with an interaction distance (sigma of the Gaussian curve) of …
Date: November 18, 2004
Creator: Rydberg, Bjorn; Cooper, Brian; Cooper, Priscilla K.; Holley, William & Chatterjee, Aloke
Object Type: Article
System: The UNT Digital Library
Technical Report for DOE grant ER63467-1020269-0008388 ''International Innovation & Diffusion of Environmental Technologies: The Case of NOX'' (open access)

Technical Report for DOE grant ER63467-1020269-0008388 ''International Innovation & Diffusion of Environmental Technologies: The Case of NOX''

This research traces the development of nitrogen dioxide (NOX) and sulfur dioxide (SO2) pollution control devices for coal-fired power plants in the United States, Japan, and Germany. This is of particular interest because of the timing of regulation in each country. While the US was an early adopter of SO2 regulations, it did not adopt stringent NOX regulations until the 1990s. Both Japan and Germany adopted stringent NOX regulations earlier. As such, advanced control techniques such as selective catalytic reduction (SCR) were first developed in Japan and Germany. In contrast, US firms were more active in the development of SO2 control devices. This study uses patent data from the three countries, as well as adoption data for individual plants, to trace the development of these technologies. Of particular interest is the role of technology transfer. While we know from previous research that firms respond to new regulations in their own country with new innovations, we do no t know the extent to which firms respond to regulations in foreign countries. Moreover, we know little about how innovations developed abroad enter the domestic knowledge base. For example, do firms make direct use of knowledge developed in foreign countries, or is domestic …
Date: November 18, 2004
Creator: Popp, David
Object Type: Report
System: The UNT Digital Library
CONFIGURATION GENERATOR MODEL (open access)

CONFIGURATION GENERATOR MODEL

''The Disposal Criticality Analysis Methodology Topical Report'' prescribes an approach to the methodology for performing postclosure criticality analyses within the monitored geologic repository at Yucca Mountain, Nevada. An essential component of the methodology is the ''Configuration Generator Model for In-Package Criticality'' that provides a tool to evaluate the probabilities of degraded configurations achieving a critical state. The configuration generator model is a risk-informed, performance-based process for evaluating the criticality potential of degraded configurations in the monitored geologic repository. The method uses event tree methods to define configuration classes derived from criticality scenarios and to identify configuration class characteristics (parameters, ranges, etc.). The probabilities of achieving the various configuration classes are derived in part from probability density functions for degradation parameters. The NRC has issued ''Safety Evaluation Report for Disposal Criticality Analysis Methodology Topical Report, Revision 0''. That report contained 28 open items that required resolution through additional documentation. Of the 28 open items, numbers 5, 6, 9, 10, 18, and 19 were concerned with a previously proposed software approach to the configuration generator methodology and, in particular, the k{sub eff} regression analysis associated with the methodology. However, the use of a k{sub eff} regression analysis is not part of the …
Date: November 18, 2004
Creator: Alsaed, A.
Object Type: Report
System: The UNT Digital Library
Laser Coupling to Reduced-Scale Targets at the Early Light Program of the National Ignition Facility (open access)

Laser Coupling to Reduced-Scale Targets at the Early Light Program of the National Ignition Facility

A platform for analysis of material properties under extreme conditions, where a sample is bathed in radiation with a high temperature, is under development. This hot environment is produced with a laser by depositing maximum energy into a small, high-Z can. Such targets were recently included in an experimental campaign using the first four of the 192 beams of the National Ignition Facility, under construction at the University of California Lawrence Livermore National Laboratory. These targets demonstrate good laser coupling, reaching a radiation temperature of 340 eV. In addition, there is a unique wavelength dependence of the Raman backscattered light that is consistent with Brillouin backscatter of Raman forward scatter [A. B. Langdon and D. E. Hinkel, Physical Review Letters 89, 015003 (2002)]. Finally, novel diagnostic capabilities indicate that 20% of the direct backscatter from these reduced-scale targets is in the polarization orthogonal to that of the incident light.
Date: November 18, 2004
Creator: Hinkel, D. E.; Schneider, M. B.; Baldis, H. A.; Bower, D.; Campbell, K. M.; Celeste, J. R. et al.
Object Type: Article
System: The UNT Digital Library
Kinetics of HMX and CP Decomposition and Their Extrapolation for Lifetime Assessment (open access)

Kinetics of HMX and CP Decomposition and Their Extrapolation for Lifetime Assessment

Decomposition kinetics are determined for HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine) and CP (2-(5-cyanotetrazalato) pentaammine cobalt (III) perchlorate) separately and together. For high levels of thermal stress, the two materials decompose faster as a mixture than individually. This effect is observed both in high-temperature thermal analysis experiments and in long-term thermal aging experiments. An Arrhenius plot of the 10% level of HMX decomposition by itself from a diverse set of experiments is linear from 120 to 260 C, with an apparent activation energy of 165 kJ/mol. Similar but less extensive thermal analysis data for the mixture suggests a slightly lower activation energy for the mixture, and an analogous extrapolation is consistent with the amount of gas observed in the long-term detonator aging experiments, which is about 30 times greater than expected from HMX by itself for 50 months at 100 C. Even with this acceleration, however, it would take {approx}10,000 years to achieve 10% decomposition at {approx}30 C. Correspondingly, negligible decomposition is predicted by this kinetic model for a few decades aging at temperatures slightly above ambient. This prediction is consistent with additional sealed-tube aging experiments at 100-120 C, which are estimated to have an effective thermal dose greater than that from decades …
Date: November 18, 2004
Creator: Burnham, A K; Weese, R K & Andrzejewski, W J
Object Type: Report
System: The UNT Digital Library
Antiferromagnetism in Pr3In: Singlet/triplet physics withfrustration (open access)

Antiferromagnetism in Pr3In: Singlet/triplet physics withfrustration

We present neutron diffraction, magnetic susceptibility and specific heat data for a single-crystal sample of the cubic (Cu{sub 3}Au structure) compound Pr{sub 3}In. This compound is believed to have a singlet ({Lambda}{sub 1}) groundstate and a low-lying triplet ({Lambda}{sub 4}) excited state. In addition, nearest-neighbor antiferromagnetic interactions are frustrated in this structure. Antiferromagnetic order occurs below T{sub N} = 12K with propagation vector (0, 0, 0.5 {center_dot}{delta}) where {delta} {approx} 1/12. The neutron diffraction results can be approximated with the following model: ferromagnetic sheets from each of the three Pr sites alternate in sign along the propagation direction with a twelve-unit-cell square-wave modulation. The three moments of the unit cell of 1 {micro}{sub B} magnitude are aligned so as to sum to zero as expected for nearest-neighbor antiferromagnetic interactions on a triangle. The magnetic susceptibility indicates that in addition to the antiferromagnetic transition at 12K, there is a transition near 70K below which there is a small (0.005 {micro}{sub B}) ferromagnetic moment. There is considerable field and sample dependence to these transitions. The specific heat data show almost no anomaly at T{sub N} = 12K. This may be a consequence of the induced moment in the {Lambda}{sub 1} singlet, but …
Date: November 18, 2004
Creator: Christianson, A. D.; Lawrence, J. M.; Zarestky, J. L.; Suzuki, H.; Thompson, J. D.; Hundley, M. F. et al.
Object Type: Article
System: The UNT Digital Library
Effect of Oxalate on the Recycle of Neptunium Filtrate Solution by Anion Exchange (open access)

Effect of Oxalate on the Recycle of Neptunium Filtrate Solution by Anion Exchange

A series of laboratory column runs has been performed that demonstrates the recovery of neptunium (Np) containing up to 0.05 M oxalate. Np losses were generally less than one percent to the raffinate for feed solutions that contained 2 to 10 g Np/L. Up to 16 percent Np losses were observed with lower Np feed concentrations, but those losses were attributed to the shortened residence times rather than the higher oxalate to Np ratios. Losses in the plant are expected to be significantly less due to the lower cross-section flowrate possible with existing plant pumps. Elimination of the permanganate treatment of filtrates appears to be reasonable since the amount of Np in those filtrates does not appear to be practical to recover. Combination of untreated filtrates with other actinide rich solutions is not advisable as precipitation problems are likely. If untreated filtrates are kept segregated from other actinide rich streams, the recovery of the remaining Np is probably still possible, but could be limited due to the excessively high oxalate to Np ratio. The persistence of hydrazine/hydrazoic acid in filtrate solutions dictates that the nitrite treatment be retained to eliminate those species from the filtrates prior to transfer to the …
Date: November 18, 2004
Creator: Kyser, E
Object Type: Report
System: The UNT Digital Library
Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry (open access)

Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry

''Evaluation of Potential Impacts of Microbial Activity on Drift Chemistry'' focuses on the potential for microbial communities that could be active in repository emplacement drifts to influence the in-drift bulk chemical environment. This report feeds analyses to support the inclusion or exclusion of features, events, and processes (FEPs) in the total system performance assessment (TSPA) for the license application (LA), but this work is not expected to generate direct feeds to the TSPA-LA. The purpose was specified by, and the evaluation was performed and is documented in accordance with, ''Technical Work Plan For: Near-Field Environment and Transport In-Drift Geochemistry Analyses'' (BSC 2004 [DIRS 172402], Section 2.1). This report addresses all of the FEPs assigned by the technical work plan (TWP), including the development of exclusion arguments for FEPs that are not carried forward to the TSPA-LA. Except for an editorial correction noted in Section 6.2, there were no other deviations from the TWP. This report documents the completion of all assigned tasks, as follows (BSC 2004 DIRS 172402, Section 1.2.1): (1) Perform analyses to evaluate the potential for microbial activity in the waste emplacement drift under the constraints of anticipated physical and chemical conditions. (2) Evaluate uncertainties associated with these …
Date: November 18, 2004
Creator: Wang, Y.
Object Type: Report
System: The UNT Digital Library