Chemometric analysis of nuclear magnetic resonance (NMR) spectroscopy has increased dramatically in recent years. A variety of different chemometric techniques have been applied to a wide range of problems in food, agricultural, medical, process and industrial systems. This article gives a brief review of chemometric analysis of NMR spectral data, including a summary of the types of mixtures and experiments analyzed with chemometric techniques. Common experimental problems encountered during the chemometric analysis of NMR data are also discussed.

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The most conspicuous feature of boron carbides' electronic transport properties is their having both high carrier densities and large Seebeck coefficients. The magnitudes and temperature dependencies of the Seebeck coefficients are consistent with large contributions from softening bipolarons: singlet bipolarons whose stabilization is significantly affected by their softening of local vibrations. Boron carbides' high carrier densities, small activation energies for hopping ({approx} 0.16 eV), and anomalously large Seebeck coefficients combine with their low, glass-like thermal conductivities to make them unexpectedly efficient high-temperature thermoelectrics.

A high beam power of 1.15 MW in the proposed 16-GeV Proton Driver [1] implies serious constraints on beam losses in the machine. The main concerns are the hands-on maintenance and ground-water activation. Only with a very efficient beam collimation system can one reduce uncontrolled beam losses to an allowable level. The results on tolerable beam loss and on a proposed beam collimation system are summarized in this paper. A multi-turn particle tracking in the accelerator defined by all lattice components with their realistic strengths and aperture restrictions, and halo interactions with the collimators is done with the STRUCT code [2]. Full-scale Monte Carlo hadronic and electromagnetic shower simulations in the lattice elements, shielding, tunnel and surrounding dirt with realistic geometry, materials and magnetic field are done with the MARS14 code [3]. It is shown that the proposed 3-stage collimation system, allows localization of more than 99% of beamloss in a special straight section. Beam loss in the rest of the accelerator is 0.2 W/m on average.

The intrinsic chirality of metal surfaces with kinked steps (e.g. Pt(643)) endows them with enantiospecific adsorption properties (D. S. Shell, Langmuir, 14, 1998, 862). To understand these properties quantitatively the impact of thermally-driven step wandering must be assessed. The authors derive a lattice-gas model of step motion on Pt(111) surfaces using diffusion barriers from Density Functional Theory. This model is used to examine thermal fluctuations of straight and kinked steps.

The free standing nanorodes of aluminum and cobalt oxides were grown on electrode and tested as the anodes directly in the half-cell. The average diameter and length of the nanorods are 80 nm and 200 nm respectively. The aligned nanorods demonstrated high initial capacity from 1200-1400 mAh/g at rate of 0.5C. The gradually decrease of initial capacity was observed. The preliminary characterization shows that the changes of the crystalline structure and morphology during cycling may be responsible for the capacity decay.

ArchGenXML is a tool that allows easy creation of Zope products through the use of Archetypes. The Integrated Design and Production Reference (IDPR) should be highly configurable in order to meet the needs of a diverse engineering community. Ease of configuration is key to the success of IDPR. The purpose of this paper is to describe a method of using a UML diagram editor to configure IDPR through ArchGenXML and Archetypes.

Congress is now debating reauthorization of omnibus farm legislation, as most commodityprice support provisions expire in 2002. This report discusses this debate, specifically aspects relating to commitments that the U.S. has as a World Trade Organization (WTO) member. Because of the interrelationships between trade and domestic support policies, lawmakers are interested in what the Agreement on Agriculture stipulates with regard to domestic supports, and how not only the United States but also other countries are meeting their Agreement commitments.

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Steady-state analyses of generic PBPK models for volatile organic chemical (VOC) exposure and risk assessment have been undertaken and applied for nearly two decades now. Chiu and White's paper on this subject adds little new to this earlier work. Their dismissive claim that ''Similar analyses have been done for specific chemicals and for inhalation'' is misleading, because some of this earlier work did indeed focus on ''generic'' PBPK models generally applicable to VOC exposure by multiple routes. In particular, the earliest of these previous studies developed steady-state solutions for generic PBPK models including respiratory and 1-compartment oral routes of exposure, and further specified how to add injection and dermal exposure routes. Chiu and White included a 2-compartment oral pathway and a lung compartment in an otherwise identical generic PBPK model, but did not consider other exposure pathways such as dermal uptake. Each of the earlier studies first presented a steady-state solution to a generic, multiroute PBPK model, and only then applied the generic solution to a problem or illustration involving a specific compound--i.e., the same approach used later by Chiu and White. For example, the earlier study included a simple, intuitive expression for low-dose metabolized fraction f*{sub m} of any …

Since the mid-l980's, assessment of the wind and tornado risks at the Department of Energy (DOE) high and moderate hazard facilities has been based on the straight wind/tornado hazard curves given in UCRL-53526 (Coats, 1985). These curves were developed using a methodology that utilized a model, developed by McDonald, for severe winds at sub-tornado wind speeds and a separate model, developed by Fujita, for tornado wind speeds. For DOE sites not covered in UCRL-53526, wind and tornado hazard assessments are based on the criteria outlined in DOE-STD-1023-95 (DOE, 1996), utilizing the methodology in UCRL-53526; Subsequent to the publication of UCRL53526, in a study sponsored by the Nuclear Regulatory Commission (NRC), the Pacific Northwest Laboratory developed tornado wind hazard curves for the contiguous United States, NUREG/CR-4461 (Ramsdell, 1986). Because of the different modeling assumptions and underlying data used to develop the tornado wind information, the wind speeds at specified exceedance levels, at a given location, based on the methodology in UCRL-53526, are different than those based on the methodology in NUREG/CR-4461. In 1997, Lawrence Livermore National Laboratory (LLNL) was funded by the DOE to review the current methodologies for characterizing tornado wind hazards and to develop a state-of-the-art wind/tornado characterization methodology …

This report considers how the Air Force is changing itself to meet new defensive needs. The issues for Congress on this are mostly budgetary and how effective it will be.

Stable self-channeling of ultra-powerful (P{sub 0} - 1 TW -1 PW) laser pulses in dense plasmas is a key process for many applications requiring the controlled compression of power at high levels. Theoretical computations predict that the transition zone between the stable and highly unstable regimes of relativistic/charge-displacement self-channeling is well characterized by a form of weakly unstable behavior that involves bifurcation of the propagating energy into two powerful channels. Recent observations of channel instability with femtosecond 248 nm pulses reveal a mode of bifurcation that corresponds well to these theoretical predictions. It is further experimentally shown that the use of a suitable longitudinal gradient in the plasma density can eliminate this unstable behavior and restore the efficient formation of stable channels.

Not all the nuclear waste destined for Yucca Mountain is in the form of spent fuel. Some of it will be radioactive waste generated from the production of nuclear weapons. This so-called defense waste exists mainly as corrosive liquids and sludge in underground tanks. An essential task of the U.S. high-level radioactive waste program is to process these defense wastes into a solid material--called a waste form. An ideal waste form would be extremely durable and unreactive with other repository materials. It would be simple to fabricate remotely so that it could be safely transported to a repository for permanent storage. What's more, the material should be able to tolerate exposure to intense radiation without degradation. And to minimize waste volume, the material must be able to contain high concentrations of radionuclides. The material most likely to be used for immobilization of radioactive waste is glass. Glasses are produced by rapid cooling of high-temperature liquids such that the liquid-like non-periodic structure is preserved at lower temperatures. This rapid cooling does not allow enough time for thermodynamically stable crystalline phases (mineral species) to form. In spite of their thermodynamic instability, glasses can persist for millions of years. An alternate to glass …

The 2175 {angstrom} extinction feature is by far the strongest spectral signature of interstellar dust observed by astronomers. Forty years after its discovery the origin of the feature and the nature of the carrier remain controversial. The feature is enigmatic because although its central wavelength is almost invariant its bandwidth varies strongly from one sightline to another, suggesting multiple carriers or a single carrier with variable properties. Using a monochromated transmission electron microscope and valence electron energy-loss spectroscopy we have detected a 5.7 eV (2175 {angstrom}) feature in submicrometer-sized interstellar grains within interplanetary dust particles (IDPs) collected in the stratosphere. The carriers are organic carbon and amorphous silicates that are abundant and closely associated with one another both in IDPs and in the interstellar medium. Multiple carriers rather than a single carrier may explain the invariant central wavelength and variable bandwidth of the astronomical 2175 {angstrom} feature.

In this paper they study generalizations of the Diffie-Hellman problems recently used to construct cryptographic schemes for practical purposes. The Group Computational and the Group Decisional Diffie-Hellman assumptions not only enable one to construct efficient pseudo-random functions but also to naturally extend the Diffie-Hellman protocol to allow more than two parties to agree on a secret key. In this paper they provide results that add to their confidence in the GCDH problem. They reach this aim by showing exact relations among the GCDH, GDDH, CDH and DDH problems.

This report summarizes the current federal regulatory framework and the bills before the 109th Congress.

The two broad categories of fiber-reinforced composite liner repair and deposited weld metal repair technologies were reviewed and evaluated for potential application for internal repair of gas transmission pipelines. Both are used to some extent for other applications and could be further developed for internal, local, structural repair of gas transmission pipelines. Principal conclusions from a survey of natural gas transmission industry pipeline operators can be summarized in terms of the following performance requirements for internal repair: (1) Use of internal repair is most attractive for river crossings, under other bodies of water, in difficult soil conditions, under highways, under congested intersections, and under railway crossings. (2) Internal pipe repair offers a strong potential advantage to the high cost of horizontal direct drilling when a new bore must be created to solve a leak or other problem. (3) Typical travel distances can be divided into three distinct groups: up to 305 m (1,000 ft.); between 305 m and 610 m (1,000 ft. and 2,000 ft.); and beyond 914 m (3,000 ft.). All three groups require pig-based systems. A despooled umbilical system would suffice for the first two groups which represents 81% of survey respondents. The third group would require an …

A number of DOE sites are contaminated with mixtures of dense non-aqueous phase liquids (DNAPLs) such as carbon tetrachloride, chloroform, perchloroethylene, and trichloroethylene. At many of these sites, in situ microbial bioremediation is an attractive strategy for cleanup, since it has the potential to degrade DNAPLs in situ without the need for pump-and-treat or soil removal procedures, and without producing toxic byproducts. A rapid screening method to determine broad range metabolic and genetic potential for contaminant degradation would greatly reduce the cost and time involved in assessment for in situ bioremediation, as well as for monitoring ongoing bioremediation treatment. The objective of this project was the development of mass-spectrometry-based methods to screen for genetic potential for both assessment and monitoring of in situ bioremediation of DNAPLs. These methods were designed to provide more robust and routine methods for DNA-based characterization of the genetic potential of subsurface microbes for degrading pollutants. Specifically, we sought to (1) Develop gene probes that yield information equivalent to conventional probes, but in a smaller size that is more amenable to mass spectrometric detection, (2) Pursue improvements to matrix-assisted laser desorption/ionization mass spectrometry (MALDI-MS) methodology in order to allow its more general application to gene probe …

This report will identify and discuss oversight issues and legislation introduced in the 110th Congress to address specific concerns related to how ESA is implemented and how endangered species are managed.

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The use of isoconversional, sometimes called model-free, kinetic analysis methods have recently gained favor in the thermal analysis community. Although these methods are very useful and instructive, the conclusion that model fitting is a poor approach is largely due to improper use of the model fitting approach, such as fitting each heating rate separately. The current paper shows the ability of model fitting to correlate reaction data over very wide time-temperature regimes, including simultaneous fitting of isothermal and constant heating rate data. Recently published data on cellulose pyrolysis by Capart et al. (TCA, 2004) with a combination of an autocatalytic primary reaction and an nth-order char pyrolysis reaction is given as one example. Fits for thermal decomposition of Estane, Viton-A, and Kel-F over very wide ranges of heating rates is also presented. The Kel-F required two parallel reactions--one describing a small, early decomposition process, and a second autocatalytic reaction describing the bulk of pyrolysis. Viton-A and Estane also required two parallel reactions for primary pyrolysis, with the first Viton-A reaction also being a minor, early process. In addition, the yield of residue from these two polymers depends on the heating rate. This is an example of a competitive reaction between …

Vacuum degrades the transmittance and catastrophic damage performance of fused-silica surfaces, both bare and silica-sol anti-reflective coated. These effects may be important in certain space application of photonics devices. When exposed to hundreds of 355-rim, 10-ns laser pulses with fluences in the 2-15 J/cm{sup 2} range, transmittance loss is due to both increased reflectance and absorption at the surface. Spectroscopic measurements show that the absorbed light induces broadband fluorescence from the visible to infrared and that the peak photoluminescence wavelength depends cumulative fluence. The effect appears to be consistent with the formation of surface SiO{sub x} (x<2) with progressively lower x as cumulative fluence increases. Conversely, low fluence CW UV irradiation of fluorescent sites in air reduces the fluorescence signal, which suggests a photochemical oxidation reaction back to Si0{sub 2}. The occurrence of catastrophic damage (craters that grow on each subsequent pulse) also increases in a vacuum relative to air for both coated and uncoated samples. In both cases, the 50% damage probability for 100 one-mm sites decreases from about 45 to 35 J/cm{sup 2} for superpolished fused silica at pressures in the 10{sup -6} Torr range. The damage probability distribution in 10 Torr of air is close to that …

Detailed and global models are presented for thermodynamically inhibited nucleation-growth reactions and applied to the {beta}-{delta} Phase Transition of HMX (nitramine octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine). The detailed model contains separate kinetic parameters for the nucleation process, including an activation energy distribution resulting from a distribution of defect energies, and for movement of the resulting reaction interface within a single particle. A thermodynamic inhibition term is added to both processes so that the rates go to zero at the transition temperature. The global model adds the thermodynamic inhibition term to the extended Prout-Tompkins nucleation-growth formalism for single particles or powders. Model parameters are calibrated from differential scanning calorimetry data. The activation energy for nucleation (333 kJ/mol) is substantially higher than that for growth (29.3 kJ/mol). Use of a small activation energy distribution ({approx}400 J/mol) for the defects improves the fit to a powered sample for both the early and late stages of the transition. The effective overall activation energy for the global model (208.8 kJ/mol) is in between that of nucleation and growth. Comparison of the two models with experiment indicates the thermodynamic inhibition term is more important than the energy distribution feature for this transition. Based on the applicability of the Prout-Tompkins kinetics …