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.

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The release of radioactive elements from the stainless steel-15 wt% zirconium (SS-15Zr) metal waste form will be governed by the corrosion behavior of ZrFe{sub 2}-type intermetallics phases present in the alloy. In this article, oxidation products that formed on a ZrFe{sub 2}-type intermetallic sample exposed to 200 C steam were characterized by Auger Electron Spectroscopy (AES) and Transmission Electron Microscopy (TEM). The data revealed two oxide layers on the sample surface: an outer crystalline iron-oxide layer and an inner amorphous zirconium-rich layer believed to be zirconium oxide. Thermodynamic considerations indicate that the zirconium-rich layer formed first. The iron-oxide layer appears to have resulted from the diffusion of iron through the zirconium-rich layer to the oxide-vapor interface.

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An increase in engine and vehicle efficiency usually requires an increase in the severity of contact at the interfaces of many critical components. Examples of such components include piston rings and cylinder liners in the engine, gears in the transmission and axle, bearings, etc. These components are oil-lubricated and require enhancement of their tribological performance. Argonne National Laboratory (ANL) recently developed a carbon-based coating with very low friction and wear properties. These near-frictionless-carbon (NFC) coatings have potential for application in various engine components for performance enhancement. This paper presents the study of the tribological performance of NFC-coated steel surfaces when lubricated with fully formulated and basestock synthetic oils. The NFC coatings reduced both the friction and wear of lubricated steel surfaces. The effect of the coating was much more pronounced in tests with basestock oil. This suggests that NFC-coated parts may not require heavily formulated lubricant oils to perform satisfactorily in terms of reliability and durability.

A ''new'' process for developing control systems - Less engine testing - More robust control system - Shorter development cycle time - ''Smarter'' approach to engine control - On-board models describe engine behavior - Shorter, systematic calibration process - Customer and legislative requirements designed-in.

The Pacific Northwest National Laboratory (PNNL) is developing and implementing a customer satisfaction assessment program (CSAP) to assess the quality of research and development provided by the laboratory. We present the customer survey component of the PNNL CSAP. The customer survey questionnaire is composed of 2 major sections, Strategic Value and Project Performance. The Strategic Value section of the questionnaire consists of 5 questions that can be answered with a 5 point Likert scale response. These questions are designed to determine if a project is directly contributing to critical future national needs. The Project Performance section of the questionnaire consists of 9 questions that can be answered with a 5 point Likert scale response. These questions determine PNNL performance in meeting customer expectations. Many approaches could be used to analyze customer survey data. We present a statistical model that can accurately capture the random behavior of customer survey data. The properties of this statistical model can be used to establish a "gold standard'' or performance expectation for the laboratory, and then assess progress. The gold standard is defined from input from laboratory management --- answers to 4 simple questions, in terms of the information obtained from the CSAP customer survey, …

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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.

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The purpose of this section of the welding manual is to: (1) Provide a general description of the major responsibilities of the organizations involved with welding. (2) Provide general guidance concerning the application of codes related to welding. This manual contains requirements for welding for all Fluor Hanford (FH) welding operators working on the W460 Project, in the Plutonium Finishing Plant (PFP) at the U. S. Department of Energy (DOE) Hanford facilities. These procedures and any additional requirements for these joining processes can be used by all FH welding operators that are qualified. The Welding Procedure Specifications (WPS) found in this document were established from Procedure Qualification Records (PQR) qualified by FH specifically for the W460 Project. PQRs are permanent records of the initial testing and qualification program and are used to backup, and support, the WPS. The identification numbers of the supporting PQR(s) are recorded on each WPS. All PQRs are permanently stored under the supervision of the Fluor Hanford Welding Engineer (FHWE). New PQRs and WPSs will continue to be developed as necessary. The qualification of welders, welding operators and welding procedures will be performed for FH under supervision and concurrent of the FHWE. All new welding procedures …

The MPSS Software Quality Assurance (SQAP) describes the tools and strategy used in the development of the MPSS software. The document also describes the methodology for controlling and managing changes to the software.

This study is a requirements document that presents analysis for the functional description for the master pump shutdown system. This document identifies the sources of the requirements and/or how these were derived. Each requirement is validated either by quoting the source or an analysis process involving the required functionality, performance characteristics, operations input or engineering judgment. The requirements in this study apply to the first phase of the W314 Project. This document has been updated during the definitive design portion of the first phase of the W314 Project to capture additional software requirements and is planned to be updated during the second phase of the W314 Project to cover the second phase of the project's scope.

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This report provides a new evaluation of the Hanford tank bump accident analysis and consequences for incorporation into the Authorization Basis. The analysis scope is for the safe storage of waste in its current configuration in single-shell and double-shell tanks.

In this paper the authors present performance results from several parallel benchmarks and applications on a 400-node Linux cluster at Sandia National Laboratories. They compare the results on the Linux cluster to performance obtained on a traditional distributed-memory massively parallel processing machine, the Intel TeraFLOPS. They discuss the characteristics of these machines that influence the performance results and identify the key components of the system software that they feel are important to allow for scalability of commodity-based PC clusters to hundreds and possibly thousands of processors.

Turbocharger transient lag inherently imposes a tradeoff between a robust engine response to transient load shifts and exhaust emissions. By itself, a well matched turbocharger for an engine has limited flexibility in improving this transient response. Electrically-assisted turbocharging has been seen as an attractive option to improve response and lower transient emissions. This paper presents the results of a multi-year joint CRADA between DDC and ORNL. Virtual lab diesel simulation models characterized the performance improvement potential of an electrically assisted turbocharger technology. Operating requirements to reduce transient duration between load shift time by up to 50% were determined. A turbomachine has been conceptualized with an integrated motor-generator, providing transient burst boost plus energy recovery capability. Numerous electric motor designs were considered, and a prototype motor was developed, fabricated, and is undergoing tests. Power controls have been designed and fabricated.

Particulate filter system consists of a filter and a regeneration strategy Commercial filters are very effective at removing PM, but regeneration is a challenge. In addition to removal of PM if is important to reduce other pollutants including NO, from diesel engine exhaust Particulate filter regeneration strategy can include catalysts, fuel additives, engine control, and fuel injection Regeneration 5M?-500 C without catalyst Near 350 C with fuel additive or catalyst coated DPF

This paper focuses on a process designed to facilitate two key decisions early in the building design process that are critical to a building's sustainability. As vital decisions are made during the building's design, the process and accompanying tools assist the design team in prioritizing their goals, setting performance targets, and evaluating design options to ensure that the most important issues affecting building sustainability are considered.