Density Functional Theory of Simple Polymers in a Slit Pore: 1. Theory and Efficient Algorithm (open access)

Density Functional Theory of Simple Polymers in a Slit Pore: 1. Theory and Efficient Algorithm

Previous applications of DF theory required a single chain Monte Carlo simulation to be performed within a self-consistent loop. In the current work, a methodology is developed which permits the simulation to be taken out of the iterative loop. Consequently, the calculation of the self-consistent, medium-induced-potential, or field, is decoupled from the simulation. This approach permits different densities, different forms of U{sub M}(r), and different wall-polymer interactions to be investigated from a single Monte Carlo simulation. The increase in computational efficiency is immense.
Date: October 27, 1999
Creator: CURRO,JOHN G.; HOOPER,JUSTIN B. & MCCOY,JOHN D.
Object Type: Article
System: The UNT Digital Library
Waveguide harmonic damper for klystron amplifier. (open access)

Waveguide harmonic damper for klystron amplifier.

A waveguide harmonic damper was designed for removing the harmonic frequency power from the klystron amplifiers of the APS linac. Straight coaxial probe antennas are used in a rectangular waveguide to form a damper. A linear array of the probe antennas is used on a narrow wall of the rectangular waveguide for damping klystron harmonics while decoupling the fundamental frequency in dominent TE{sub 01} mode. The klystron harmonics can exist in the waveguide as waveguide higher-order modes above cutoff. Computer simulations are made to investigate the waveguide harmonic damping characteristics of the damper.
Date: October 27, 1998
Creator: Kang, Y.
Object Type: Article
System: The UNT Digital Library
Improved risk estimated from carbon tetrachloride. Annual progress report, October 1, 1996--September 30, 1997 (open access)

Improved risk estimated from carbon tetrachloride. Annual progress report, October 1, 1996--September 30, 1997

'Carbon tetrachloride (CCl{sub 4}) has been used extensively within the Department of Energy (DOE) nuclear weapons facilities. Rocky Flats was formerly the largest volume user of CCl{sub 4} in the US, with 5,000 gallons used there in 1977 alone. At the Hanford site, several hundred thousand gallons of CCl{sub 4} were discharged between 1955 and 1973 into underground cribs for storage. Levels of CCl{sub 4} in groundwater at highly contaminated sites at the Hanford. facility have exceeded the drinking water standard of 5 ppb by several orders of magnitude. High levels of CCl{sub 4} at these facilities represent a potential health hazard for workers conducting cleanup operations and for surrounding communities. The level of CCl{sub 4} cleanup required at these sites and associated costs are driven by current human health risk estimates which assume that CCl{sub 4} is a genotoxic carcinogen. The overall purpose of these studies is to improve the scientific basis for assessing the health risk associated with human exposure to CCl{sub 4}. Specifically, the authors will determine the toxicokinetics of inhaled and ingested CCl{sub 4} in F344/Crl rats, B6C3F1 mice, and Syrian hamsters. They will also evaluate species differences in the metabolism of CCl{sub 4} by rats, …
Date: October 27, 1997
Creator: Benson, J.M.
Object Type: Report
System: The UNT Digital Library
Simulation and measurement of the electrostatic beam kicker in the low-energy undulator test line. (open access)

Simulation and measurement of the electrostatic beam kicker in the low-energy undulator test line.

An electrostatic kicker has been constructed for use in the Low-Energy Undulator Test Line (LEUTL) at the Advanced Photon Source (APS). The function of the kicker is to limit the amount of beam current to be accelerated by the APS linac. Two electrodes within the kicker create an electric field that adjusts the trajectory of the beam. This paper will explore the static fields that are set up between the offset electrode plates and determine the reaction of the beam to this field. The kicker was numerically simulated using the electromagnetic solver package MAFIA [1].
Date: October 27, 1998
Creator: Waldschmidt, G. J.
Object Type: Article
System: The UNT Digital Library
Annual Radioactive Waste Tank Inspection Program - 1998 (open access)

Annual Radioactive Waste Tank Inspection Program - 1998

Aqueous radioactive wastes from Savannah River Site separations processes are contained in large underground carbon steel tanks. Inspections made during 1998 to evaluate these vessels and auxiliary appurtenances, along with evaluations based on data accrued by inspections performed since the tanks were constructed, are the subject of this report.
Date: October 27, 1999
Creator: McNatt, F.G.
Object Type: Report
System: The UNT Digital Library
Wavelet Compression of Complex SAR Imagery Using Complex- and Real-Valued Wavelets: A Comparative Study (open access)

Wavelet Compression of Complex SAR Imagery Using Complex- and Real-Valued Wavelets: A Comparative Study

While many synthetic aperture radar (SAR) applications use only detected imagery, dramatic improvements in resolution and employment of algorithms requiring complex-valued SAR imagery suggest the need for compression of complex data. Here, we investigate the benefits of using complex- valued wavelets on complex SAR imagery in the embedded zerotree wavelet compression algorithm, compared to using real-valued wavelets applied separately to the real and imaginary components. This compression is applied at low ratios (4:1-12:1) for high fidelity output. The complex spatial correlation metric is used to numerically evaluate quality. Numerical results are tabulated and original and decompressed imagery are presented as well as correlation maps to allow visual comparisons.
Date: October 27, 1998
Creator: Ives, R. W.; Kiser, C. & Magotra, N.
Object Type: Article
System: The UNT Digital Library
Trusted Objects (open access)

Trusted Objects

In the world of computers a trusted object is a collection of possibly-sensitive data and programs that can be allowed to reside and execute on a computer, even on an adversary's machine. Beyond the scope of one computer we believe that network-based agents in high-consequence and highly reliable applications will depend on this approach, and that the basis for such objects is what we call ''faithful execution.''
Date: October 27, 1999
Creator: Campbell, Philip L.; Pierson, Lyndon G. & Witzke, Edward L.
Object Type: Article
System: The UNT Digital Library
Design and development of a new hybrid spectroelectrochemical sensor. Annual technical progress report, September 15, 1996--September 14, 1997 (open access)

Design and development of a new hybrid spectroelectrochemical sensor. Annual technical progress report, September 15, 1996--September 14, 1997

'A new concept for a chemical sensor that demonstrates three modes of selectivity (electrochemistry, spectroscopy, and selective partitioning) is being developed. The spectroelectrochemical sensor consists of an optically transparent electrode (OTE) coated with a selective film. Sensing is based on the change in optical signal of light passing through the OTE that accompanies an electrochemical reaction of the analyte at the electrode surface. Thus, for an analyte to be detected, it must partition into the selective coating, be electrolyzed at the potential applied to the electrode, and either the analyte or its electrolysis product must absorb light at the wavelength chosen. Selectivity for the analyte relative to other solution components is obtained by choice of coating material, electrolysis potential, and wavelength for optical monitoring. The purpose of this new sensor is to significantly broaden the applicability of sensors to real samples by improving selectivity. This high level of selectivity is to be achieved without any fragile biocomponent. The concept is to be demonstrated with a sensor for ferrocyanide.'
Date: October 27, 1997
Creator: Heineman, W. R.; Seliskar, C. J. & Ridgway, T. H.
Object Type: Report
System: The UNT Digital Library
Reliability Analysis of Penetration Systems Using Nondeterministic Methods (open access)

Reliability Analysis of Penetration Systems Using Nondeterministic Methods

Device penetration into media such as metal and soil is an application of some engineering interest. Often, these devices contain internal components and it is of paramount importance that all significant components survive the severe environment that accompanies the penetration event. In addition, the system must be robust to perturbations in its operating environment, some of which exhibit behavior which can only be quantified to within some level of uncertainty. In the analysis discussed herein, methods to address the reliability of internal components for a specific application system are discussed. The shock response spectrum (SRS) is utilized in conjunction with the Advanced Mean Value (AMV) and Response Surface methods to make probabilistic statements regarding the predicted reliability of internal components. Monte Carlo simulation methods are also explored.
Date: October 27, 1999
Creator: Field, Richard V., Jr.; Paez, Thomas L. & Red-Horse, John R.
Object Type: Article
System: The UNT Digital Library
Multi-Level Micromachined Systems-on-a-Chip: Technology and Applications (open access)

Multi-Level Micromachined Systems-on-a-Chip: Technology and Applications

Researchers at Sandia have recently designed and built several research prototypes, which demonstrate that truly complex mechanical systems can now be realized in a surface micromachined technology. These MicroElectro- Mechanical Systems (MEMS) include advanced actuators, torque multiplying gear tmins, rack and pinion assemblies, positionable mirrors, and mechanical discriminators. All of tile mechanical components are batch fabricated on a single chip of silicon using the infrastructure origimdly developed to support today's highly reliabk; and robust microelectronics industry. Sand ia is also developing the technology 10 integrate microelectronic circuits onto the s,ime piece of silicon that is used to fabricate the MEMS devices. This significantly increases sensitivity and reliability, while fhrther reducing package size and fabrication costs. A review of the MEMS technology and capabilities available at Sandia National Laboratories is presented.
Date: October 27, 1998
Creator: Allen, J. J.; Krygowski, T. W.; Miller, S. L.; Montague, S.; Rodgers, M. S.; Smith, J. H. et al.
Object Type: Article
System: The UNT Digital Library
Analysis of the effect of transverse power distribution in an involute fuel plate with and without oxide film formation. (open access)

Analysis of the effect of transverse power distribution in an involute fuel plate with and without oxide film formation.

Existing thermal hydraulics computer codes can account for variations in power and temperature in the axial and thickness directions but variations across the width of the plate cannot be accounted for. In the case of fuel plates in an annular core this can lead to significant errors which are accentuated by the presence of an oxide layer that builds up on the aluminum cladding with burnup. This paper uses a three dimensional SINDA model to account for the transverse variations in power. The effect of oxide thickness on these differences is studied in detail. Power distribution and fuel conductivity are also considered. The lower temperatures predicted with the SINDA model result in a greater margin to clad and fuel damage.
Date: October 27, 1998
Creator: Smith, R. S.
Object Type: Article
System: The UNT Digital Library
Assessing the Security Vulnerabilities of Correctional Facilities (open access)

Assessing the Security Vulnerabilities of Correctional Facilities

The National Institute of Justice has tasked their Satellite Facility at Sandia National Laboratories and their Southeast Regional Technology Center in Charleston, South Carolina to devise new procedures and tools for helping correctional facilities to assess their security vulnerabilities. Thus, a team is visiting selected correctional facilities and performing vulnerability assessments. A vulnerability assessment helps to identi~ the easiest paths for inmate escape, for introduction of contraband such as drugs or weapons, for unexpected intrusion fi-om outside of the facility, and for the perpetration of violent acts on other inmates and correctional employees, In addition, the vulnerability assessment helps to quantify the security risks for the facility. From these initial assessments will come better procedures for performing vulnerability assessments in general at other correctional facilities, as well as the development of tools to assist with the performance of such vulnerability assessments.
Date: October 27, 1998
Creator: Morrison, G. Steve & Spencer, Debra S.
Object Type: Article
System: The UNT Digital Library
Comment on "Indication from Pioneer 10/11, Galileo, and Ulysses Data, of an Apparent Anomalous, Weak, Long-Range Acceleration" (open access)

Comment on "Indication from Pioneer 10/11, Galileo, and Ulysses Data, of an Apparent Anomalous, Weak, Long-Range Acceleration"

In a recent Letter Anderson et al. report some very intriguing radio observations flom various interplanetary spaceprobes over the past 18 years. They interpret this data as an anomalous deceleration of the spaceprobes. Here I offer a different interpretation: that the anomaly is related to the cosmological red shift.
Date: October 27, 1998
Creator: Humphreys, D.R.
Object Type: Article
System: The UNT Digital Library
Reliability and availability of high power proton accelerators. (open access)

Reliability and availability of high power proton accelerators.

It has become increasingly important to address the issues of operational reliability and availability of an accelerator complex early in its design and construction phases. In this context, reliability addresses the mean time between failures and the failure rate, and availability takes into account the failure rate as well as the length of time required to repair the failure. Methods to reduce failure rates include reduction of the number of components and over-design of certain key components. Reduction of the on-line repair time can be achieved by judiciously designed hardware, quick-service spare systems, and redundancy. In addition, provisions for easy inspection and maintainability are important for both reduction of the failure rate as well as reduction of the time to repair. The radiation safety exposure principle of ALARA (As Low As Reasonably Achievable) is easier to comply with when easy inspection capability and easy maintainability are incorporated into the design. Discussions of past experience in improving accelerator availability, some recent developments, and potential R and D items are presented.
Date: October 27, 1998
Creator: Cho, Y.
Object Type: Article
System: The UNT Digital Library
Simultaneous quasiparticle and Josephson tunneling in BSCCO-2212 break junctions. (open access)

Simultaneous quasiparticle and Josephson tunneling in BSCCO-2212 break junctions.

Tunneling measurements are reported for superconductor-insulator-superconductor (SIS) break junctions on underdoped, optimally-doped, and overdoped single crystals of Bi{sub 2}Sr{sub 2}CaCu{sub 2}O{sub 8+{delta}} (Bi-2212). The junction I-V characteristics exhibit well-defined quasiparticle current jumps at eV = 2A as well as hysteretic Josephson currents. The quasiparticle branch has been analyzed in the framework of d{sub x{sup 2}-y{sup 2}} (d-wave) superconductivity and indicates that there is preferential tunneling along the lobe directions of the d-wave gap. For overdoped Bi-2212 with T{sub c} = 62 K, the Josephson current is measured as a function of junction resistance, R{sub n}, which varied by two orders of magnitude (1 k{Omega} to 100 k{Omega}). I{sub c}R{sub n} product is proportional to the 0.47 power of I{sub c} and displays a maximum of 7.0 mV. When the hole doping is decreased from overdoped (T{sub c} = 62 K) to the underdoped regime (T{sub c} = 70 K), the average I{sub c}R{sub n} product increases as does the quasiparticle gap. The maximum I{sub c}R{sub n} is {approximately} 40% of the {Delta}/e at each doping level, with a value as high as 25 mV in underdoped Bi-2212.
Date: October 27, 1998
Creator: Ozyuzer, L.
Object Type: Article
System: The UNT Digital Library
Pinning effect on critical dynamics in Tl{sub 2}Ba{sub 2}CaCu{sub 2}O{sub 8} films before and after introducing columnar defects. (open access)

Pinning effect on critical dynamics in Tl{sub 2}Ba{sub 2}CaCu{sub 2}O{sub 8} films before and after introducing columnar defects.

The effect of columnar defects on the critical dynamics of superconducting Tl{sub 2}Ba{sub 2}CaCu{sub 2}O{sub 8}(Tl-2212) film has been investigated. The Tl-2212 film was irradiated at 0 C by 1.3 GeV U-ions along the normal of the film surface. The dose of 6.0 x 10{sup 10} ions/cm{sup 2} of the U-ion irradiation corresponds to a matching field of 1.2 T. The in-plane longitudinal resistivity of the irradiated Tl-2212 has been measured as a function of magnetic field H and temperature T. The extracted fluctuation part of the conductivity {sigma}{sub xx}(T, H) of the unirradiated sample exhibits 3D-XY scaling behavior that reveals dynamic critical exponent z = 1.8 {+-} 0.1 and static critical exponent v {approx} 1.338. The results indicate that the weak interlayer coupling along the c-axis of Tl-2212 significantly influences static critical exponent v and does not change dynamical critical exponent. After the irradiation, the fluctuation conductivities are enhanced by the strong pinnings and do not exhibit the same 3D-XY scaling behavior as for the unirradiated Tl-2212. Particularly at the low magnetic field values near the matching field of 1.2 T, the fluctuation conductivities show a clear deviation from the critical dynamics, suggesting that the pinning effect on the …
Date: October 27, 1998
Creator: Kim, J.-T.
Object Type: Article
System: The UNT Digital Library
Role of intergrowths in the properties of the naturally layered manganites. (open access)

Role of intergrowths in the properties of the naturally layered manganites.

The structural and magnetic properties of the two-layered Ruddlesden-Popper phase SrO(La{sub 1{minus}x}Sr{sub x}MnO{sub 3}){sub 2} with x = 0.3 and x = 0.4 are investigated. These naturally layered manganites exhibit a colossal magnetoresistance, a magnetic anisotropy which is strongly composition-dependent, almost no remanence, and a non-vanishing magnetization in an extended temperature range above the Curie temperature (T{sub c}). The magnetization in this temperature range is not intrinsic to the crystal, but is attributed to intergrowths. These two-dimensional lattice imperfections consist of additional or missing SrO layers and have been observed in transmission electron micrographs. The magnetic properties of the intergrowths differ from the bulk crystal which results in unusual magnetic behavior.
Date: October 27, 1998
Creator: Bader, S. D.; Berger, A.; Jiang, J. S.; Miller, D. J.; Mitchell, J. F. & Osgood, R. M., III
Object Type: Article
System: The UNT Digital Library
Winters fuels report (open access)

Winters fuels report

The outlook for distillate fuel oil this winter is for increased demand and a return to normal inventory patterns, assuming a resumption of normal, cooler weather than last winter. With industrial production expected to grow slightly from last winter`s pace, overall consumption is projected to increase 3 percent from last winter, to 3.4 million barrels per day during the heating season (October 1, 1995-March 31, 1996). Much of the supply win come from stock drawdowns and refinery production. Estimates for the winter are from the Energy Information Administration`s (EIA) 4th Quarter 1995 Short-Tenn Energy Outlook (STEO) Mid-World Oil Price Case forecast. Inventories in place on September 30, 1995, of 132 million barrels were 9 percent below the unusually high year-earlier level. Inventories of high-sulfur distillate fuel oil, the principal type used for heating, were 13 percent lower than a year earlier. Supply problems are not anticipated because refinery production and the ready availability of imports should be adequate to meet demand. Residential heating off prices are expected to be somewhat higher than last winter`s, as the effects of lower crude oil prices are offset by lower distillate inventories. Heating oil is forecast to average $0.92 per gallon, the highest price …
Date: October 27, 1995
Creator: unknown
Object Type: Report
System: The UNT Digital Library
The influence of vortex pinning and grain boundary structure on critical currents across grain boundaries in YBa{sub 2}Cu{sub 3}O{sub x}. (open access)

The influence of vortex pinning and grain boundary structure on critical currents across grain boundaries in YBa{sub 2}Cu{sub 3}O{sub x}.

We have used studies of single grain boundaries in YBCO thin films and bulk bicrystals to study the influence of vortex pinning along a grain boundary on dissipation. The critical current density for transport across grain boundaries in thin films is typically more than an order of magnitude larger than that measured for transport across grain boundaries in bulk samples. For low disorientation angles, the difference in critical current density within the grains that form the boundary can contribute to the substantial differences in current density measured across the boundary. However, substantial differences exist in the critical current density across boundaries in thin film compared to bulk bicrystals even in the higher angle regime in which grain boundary dissipation dominates. The differences in critical current density in this regime can be understood on the basis of vortex pinning along the boundary.
Date: October 27, 1998
Creator: Miller, D. J.
Object Type: Article
System: The UNT Digital Library
A Three-Dimensional Photonic Crystal with Stop Band Between at 1.35 and 1.95 Microns (open access)

A Three-Dimensional Photonic Crystal with Stop Band Between at 1.35 and 1.95 Microns

A combination of advanced silicon processing techniques were used to create three- dimensional (3D) photonic crystals with a 180 nano-meter minimum dimension. The resulting 3D crystal displays a strong stop band at optical wavelengths, L=l .35- 1.95pm. This is the smallest 3D crystal ever achieved with a complete 3D photonic band gap.
Date: October 27, 1998
Creator: Fleming, J.G. & Lin, S.
Object Type: Article
System: The UNT Digital Library
Interdisciplinary study of reservoir compartments and heterogeneity. Quarterly technical progress report, July 1995--September 1995 (open access)

Interdisciplinary study of reservoir compartments and heterogeneity. Quarterly technical progress report, July 1995--September 1995

This United States Department of Energy (DOE) research project was established to document the integrated team approach for solving reservoir engineering problems. A field study integrating the disciplines of geology, geophysics, and petroleum engineering will be the mechanism for documenting the integrated approach. This is an area of keen interest to the oil and gas industry. The goal will be to provide tools and approaches that can be used to detect reservoir compartments, reach a better reserve estimate, and improve profits early in the life of a field.
Date: October 27, 1995
Creator: Kirk, C.W. Van & Thompson, R.S.
Object Type: Report
System: The UNT Digital Library
On Practical Modifications to the Barnes-Hut Multipole Method for Electromagnetic Scattering (open access)

On Practical Modifications to the Barnes-Hut Multipole Method for Electromagnetic Scattering

This paper presents a simple methodology for quickly predicting and optimizing computer run time for the Barnes-Hut multipole method for boundary element electromagnetic scattering problems. The methodology is easily extended to other multipole methods (e.g., Greengard-Rokhlin) and to other physics. The idea is to simply COZM t the number of element-cell interactions, number of direct element- element interactions, and the number of cell multipole expansion creations (each expansion weighted by the number of elements in the cell), and then finally combine these three results with the associated unit costs to obtain the total computer :un-time to perform a single matrix-vector multiply. By counting operations instead of actually performing them, the time to predict the computer run time is orders of magnitude smaller than the time to actually perform the associated calculations. This allows for very quick optimization of parameters, such as the maximum number of elements in a final generation cell of the tree. Numerical examples are presented herein in which the rate of return (time saved over time spent finding optimal parameter values) is significantly more than two orders of magnitude.
Date: October 27, 1998
Creator: Driessen, B. J. & Kotulski, J. D.
Object Type: Article
System: The UNT Digital Library
Limitations of the Arrhenius Methododolgy (open access)

Limitations of the Arrhenius Methododolgy

The Arrhenius methodology has been utilized for many years to NOV 171998 predict polymer lifetimes in various applications. Unfortunately, there are numerous potential limitations associated with this methodology, o ST I many of which can lead to non-Arrhenius behavior. This paper will review several of these limitations, including a brief mention of diffusion-limited oxidation (DLO) effects and a more extensive discussion of the implication of changes in the effective Arrhenius activation energy E. or in the dominant reactions as the temperature changes. Changes in Ea or in the dominant reactions with temperature can happen for any material, making extrapolations beyond the experimental temperature range problematic. Unfortunately, when mechanistic changes occur, they invariably result in a reduction in effective Arrhenius activation energy, leading to lower than expected material lifetimes. Thus it is critically important to derive methods for testing the Arrhenius extrapolation assumption. One approach that we have developed involves ultrasensitive oxygen consumption measurements. Results from the application of this approach will be reviewed.
Date: October 27, 1998
Creator: Celina, M.; Clough, R. L. & Gillen, K. T.
Object Type: Article
System: The UNT Digital Library
Z-Pinch Driven Inertial Confinement Fusion Target Physics Research at Sandia National Laboratories (open access)

Z-Pinch Driven Inertial Confinement Fusion Target Physics Research at Sandia National Laboratories

Three hohlraum concepts are being pursued at Sandia National Laboratories (SNL) to investigate the possibility of using pulsed power driven magnetic implosions (z-pinches) to drive high gain targets capable of yields in the range of 200-1000 MJ. This research is being conducted on SNL'S.Z facility that is capable of driving peak currents of 20 MA in z-pinch loads producing implosion velocities as high as 7.5X 107 cm/s, x-ray energies approaching 2 MJ, and x-ray powers exceeding 200 TW. This paper will discuss each of these hohlraum concepts and will overview the experiments that have been conducted on these systems to date.
Date: October 27, 1998
Creator: Alberts, T. E.; Asay, J. R.; Baca, P. M.; Baker, K. L.; Breeze, S. P.; Chandler, G. A. et al.
Object Type: Article
System: The UNT Digital Library