In this paper, we present a simple annealing procedure (which we refer to as ''flash-annealing'' because of short duration) that results in the formation of an ultralow friction surface film on vanadium diboride (VB{sub 2}) surfaces. This annealing is done in a box furnace at 800 C for a period of 5 min. During annealing, the exposed surface of the VB{sub 2} undergoes oxidation and forms a layer of boron oxide (B{sub 2}O{sub 3}). In open air, the B{sub 2}O{sub 3} layer reacts spontaneously with moisture and forms a boric acid (H{sub 3}BO{sub 3}) film. The friction coefficient of a 440C steel pin against this H{sub 3}BO{sub 3} film is {approx}0.05, compared to 0.8 against the as-received VB{sub 2}. Based on Raman spectroscopy and electron microscopy studies, we elucidate the ultralow friction mechanism of the flash-annealed VB{sub 2} surfaces.

It is well known that the NMR method for protein structure determination applies to small proteins and that its effectiveness decreases very rapidly as the molecular weight increases beyond about 30 kD. We have recently developed a method for protein structure determination that can fully utilize partial NMR data as calculation constraints. The core of the method is a threading algorithm that guarantees to find a globally optimal alignment between a query sequence and a template structure, under distance constraints specified by NMR/NOE data. Our preliminary tests have demonstrated that a small number of NMR/NOE distance restraints can significantly improve threading performance in both fold recognition and threading-alignment accuracy, and can possibly extend threading's scope of applicability from structural homologs to structural analogs. An accurate backbone structure generated by NMR-constrained threading can then provide a significant amount of structural information, equivalent to that provided by the NMR method with many NMR/NOE restraints; and hence can greatly reduce the amount of NMR data typically required for accurate structure determination. Our preliminary study suggests that a small number of NMR/NOE restraints may suffice to determine adequately the all-atom structure when those restraints are incorporated in a procedure combining threading, modeling of loops …

GaAs-based metal semiconductor field effect transistors (MESFETS), heterojunction bipolar transistors (HBTs) and high electron mobility transistors (HEMTs) have been exposed to ECR SiJ&/NH3 discharges for deposition of SiNX passivating layers. The effect of source power, rf chuck power, pressure and plasma composition have been investigated. Effects due to both ion damage and hydrogenation of dopants are observed. For both HEMTs and MESFETS there are no conditions where substantial increases in channel sheet resistivity are not observed, due primarily to (Si-H)O complex formation. In HBTs the carbon-doped base layer is the most susceptible layer to hydrogenation. Ion damage in all three devices is minimized at low rf chuck power, moderate ECR source power and high deposition rates.

A batch vitrification process, which utilizes an oxalate precipitate and frit (or cullet), is being developed at the Savannah River Technology Center (SRTC) to immobilize an Am-Cm solution. Prior to being accepted as the baseline flowsheet, numerous laboratory-scale tests were conducted to demonstrate its feasibility and to characterize the general melt behavior of the oxalate/frit system. The effects of frit particle size and oxalate precipitation temperature were the initial focus of these studies. Two technical issues were identified during these initial tests that warranted further study: a volume or bed expansion was observed at approximately 1140 degrees C and ''excessive'' bubble formation between 1220 - 1250 degrees C. Although high temperature bubble formation does not pose a serious process concern (i.e., longer residence times and/or higher process temperatures minimize bubble retention), the volume expansion is undesirable during processing. The volume expansion may limit the amount of glass that can be produced in a single batch. That is, the batch height may have to be controlled so that the material is contained within the Pt-Rh vessel at all times. Both the volume expansion and high temperature bubble formation have been linked to the thermal reduction of CeO{sub 2}. As part of …

The authors investigate finite pulse effects in self-amplified spontaneous emission (SASE), especially the role of coherent spontaneous emission (CSE) in the start and the evolution of the free-electron laser (FEL) process. When the FEL interaction is negligible, they solve the one-dimensional Maxwell equation exactly and clarify the meaning of the slowly varying envelope approximation (SVEA). In the exponential gain regime, they solve the coupled Vlasov-Maxwell equations and extend the linear theory to a bunched beam with energy spread. A time-dependent, non-linear simulation algorithm is employed to study the CSE effect for a general beam distribution.

The conceptual and computational structure of a performance assessment (PA) for the Waste Isolation Pilot Plant (WIPP) is described. Important parts of thk structure are @ maintenance of a separation between stochastic (i.e., aleatory) and subjective (i.e., epistemic) uncertain, with stochastic uncefinty arising from the many possible disruptions that could occur over the 10,000 Y regulatory period fiat applies to the WIPP and subjective uncertainty arising from `the imprecision with which many of the quantities rquired in tie `hdysis are known, (ii) use of Latin hypercttbe sampling to incorporate the effects of subjective uncefirtty, (iii) use of Monte Carlo (i.e., random) sampling to incorporate the effects of stochastic uncetinty, and OV) efficient use of tie necessarily limited number of mechanistic calculations that can be performed to SUPPOII the analysis. The WIPP is under development by the U.S. Department of Ener~ (DOE) for the geologic (i.e., deep underground) disposal of transuranic (TRU) waste, with the indicated PA supporting a ~Compliance Certification Application (CCA) by the DOE to the U.S. Environmental Protection Agency (EPA) in October 1996 for tie necessary certifications for the WIPP to begin operation. If certified, the WIPP will be the first operational faciliv in tie United States for …

Microstructural analyses by several advanced metallographic techniques were conducted on austenitic stainless steel mockup and core shroud welds that had cracked in boiling water reactors. Contrary to previous beliefs, heat-affected zones of the cracked Type 304L, as well as 304 SS core shroud welds and mockup shielded-metal-arc welds, were free of grain-boundary carbides, which shows that core shroud failure cannot be explained by classical intergranular stress corrosion cracking. Neither martensite nor delta-ferrite films were present on the grain boundaries. However, as a result of exposure to welding fumes, the heat-affected zones of the core shroud welds were significantly contaminated by oxygen and fluorine, which migrate to grain boundaries. Significant oxygen contamination seems to promote fluorine contamination and suppress thermal sensitization. Results of slow-strain-rate tensile tests also indicate that fluorine exacerbates the susceptibility of irradiated steels to intergranular stress corrosion cracking. These observations, combined with previous reports on the strong influence of weld flux, indicate that oxygen and fluorine contamination and fluorine-catalyzed stress corrosion play a major role in cracking of core shroud welds.

Although significant data has been obtained on the condition and composition of the fuel containing masses (FCM) located in the concrete chambers under the Chernobyl Unit 4 reactor cavity, there is still uncertainty regarding the possible recriticality of this material. The high radiation levels make access extremely difficult, and most of the samples are from the FCM surface regions. There is little information on the interior regions of the FCM, and one cannot assume with confidence that the surface measurements are representative of the interior regions. Therefore, reasonable assumptions on the key parameters such as fuel concentration, the concentrations of impurities and neutron poisons (especially boron), the void fraction of the FCM due to its known porosity, and the degrees of fuel heterogeneity, are necessary to evaluate the possibility of recriticality. The void fraction is important since it introduces the possibility of water moderator being distributed throughout the FCM. Calculations indicate that the addition of 10 to 30 volume percent (v/o) water to the FCM has a significant impact on the calculated reactivity of the FCM. Therefore, water addition must be considered carefully. The other possible moderators are graphite and silicone dioxide. As discussed later in this paper, silicone dioxide …

This paper describes metrology of a vertically focusing mirror on the bending magnet beamline in sector-1 of the Advanced Photon Source, Argonne National Laboratory. The mirror was evaluated using measurements from both an optical long trace profiler and x-rays. Slope error profiles obtained with the two methods were compared and were found to be in a good agreement. Further comparisons were made between x-ray measurements and results from the SHADOW ray-tracing code.

The crystallographic observation of two symmetry-related branches of electron transfer cofactors in the structure of the bacterial reaction center (RC) 13 years ago [1] remains an enigma in light of experimental observations that show that only the A branch is active in the initial electron transfer steps in wild-type RCs. Unidirectional electron flow has been attributed to localized asymmetries between the A and B branches that lead to differences in: (1) the electronic couplings of the cofactors [2]; (2) the relative electrostatic environments of the cofactors, caused by amino acid differences which modulate the free energies of their charge-separated states [3] and/or create a higher dielectric constant on the active side, resulting in a stronger static field for stabilizing A-branch charge transfer states [4,5]. Some photo-induced bleaching of H{sub B} has been observed, in wild-type RCs following trapping of HA{sub A}{sup {minus}}[6], and in ''hybrid'' RCs where the redox potentials of cofactors were manipulated by pigment exchange [7] or mutagenesis [8]. Transient bleaching of the 530-nm band of H{sub B} was more easily observed in the hybrid RCs because the H{sub A} transition at 545 nm was shifted to {approximately}600 nm due to incorporation of a bacteriochlorophyll, designated ''{beta}'', at …

We present a measurement of the time-dependent asymmetry in the rate for {bar B}{sub d}{sup 0} versus B{sub d}{sup 0} decays to J/{psi}K{sub S}{sup 0}. In the context of the Standard Model this is interpreted as a measurement of the CP-violation parameter sin(2{beta}). A total of 198 {+-} 17 B{sub d}{sup 0}/{bar B}{sub d}{sup 0} decays were observed in p{bar p} collisions at {radical}s = 1.8 TeV by the CDF detector at the Fermilab Tevatron. The initial b-flavor is determined by a same side flavor tagging technique. Our analysis results in sin(2{beta}) = 1.8 {+-} 1.1(stat) {+-} 0.3(syst).

As environmental laws become increasingly protective, and with possible future changes in global climate, thermal effects on aquatic resources are likely to receive increasing attention. Lethal temperatures for a variety of species have been determined for situations where temperatures rise rapidly resulting in lethal effects. However, less is known about the effects of chronic exposure to high (but not immediately lethal) temperatures and even less about stress accumulation during periods of fluctuating temperatures. In this paper we present a modeling framework for assessing cumulative thermal stress in fish. The model assumes that stress accumulation occurs above a threshold temperature at a rate depending on the degree to which the threshold is exceeded. The model also includes stress recovery (or alleviation) when temperatures drop below the threshold temperature as in systems with large daily variation. In addition to non-specific physiological stress, the model also simulates thermal effects on growth.

The motivation for a fresh look at heat transfer education, both in content and in methodology, is generated by a number of trends in engineering practice. These include the increasing demand for engineers with interdisciplinary skills, rapid integration of technology, emergence of computerized and interactive problem-solving tools, shortening time of concept-to-market, availability of new technologies, and an increasing number of new or redesigned products and processes in which heat transfer plays a part. Examination of heat transfer education in this context can be aided by considering the changes, both qualitatively and quantitatively, in the student, educator, and researcher populations, employment opportunities, in the needs of corporations, government, industry, and universities, and in the relevant technical problems and issues of the day. Such an overview provides the necessary background for charting a response to the difficult question of how to maintain excellence and continuity in heat transfer education in the face of rapid, widespread, and complex changes. The present paper addresses how to make heat transfer education more relevant and stimulating. This paper represents a written summary of a 1996 panel discussion at the 1996 International Mechanical Engineering Conference and Exhibition (IMECE) of the American Society of Mechanical Engineers (ASME) in …

The authors describe the role for the next-generation ``superlasers`` in the study of matter under extremely high energy density conditions, in comparison to previous uses of nuclear explosives for this purpose. As examples, the authors focus on three important areas of physics that have unresolved issues which must be addressed by experiment: equations of state, turbulent hydrodynamics, and the transport of radiation. They describe the advantages the large lasers will have in a comprehensive experimental program.

The HMX {beta}-{delta} solid-solid phase transition, which occurs as HMX is heated near 170 C, is clearly linked to increased reactivity and sensitivity to initiation. Thermally damaged energetic materials (EMs) containing HMX therefore may present a safety concern. Information about the phase transition is vital to a predictive safety model for HMX and HMX-containing EMs. We report work in progress on monitoring the phase transition with real-time Raman spectroscopy and ultrasonic measurements aimed towards a better understanding of physical properties through the phase transition. HMX samples were confined with minimal free volume.in a cell with constant volume. The cell was heated at a controlled rate and real-time Raman spectroscopic or ultrasonic measurements were performed. Raman spectroscopy provides a clear distinction between the two phases because the vibrational transitions of the molecule change with confirmational changes associated with the phase transition. Ultrasonic time-of-flight measurements provide an additional method of distinguishing the two phases because the sound speed through the material changes with the phase transition. Ultrasonic attenuation measurements also provide information about microstructural changes such as increased porosity due to evolution of gaseous decomposition products.

The possibility of separating the trivalent lanthanides, represented by EU{sup 3+}, and actinides, represented by Cf{sup 3+}, using HDEHP in toluene and an aqueous phase containing N-piperidinomethane-1,1-diphosphotic acid, PMDPA, has been investigated. This modified aqueous phase offers potential advantages over the diethylenetriaminepentaacetic acid based TALSPEAK process because of the improved complexation properties of PMDPA in acidic solutions, and the ability to decompose PMDPA before disposal. Extraction experiments were conducted at 25 C in 2 M NaClO{sub 4} between -log [H{sup +}] 1 and 2. The studies enabled us to derive the aqueous phase speciation, the stability constants of the aqueous complexes, and the Cf/Eu separation factors. Despite the presence of an amino group in PMDPA that should favor the retention of the actinides in the aqueous phase, the Cf/Eu separation factors are near unity under the conditions studied.

Polymer electrolyte fuel cells (PEFCs) are being actively developed worldwide for transportation applications. The fuel gas generated from reforming hydrocarbon fuels contains small amounts of CO (0.5-1 vol%), even after the water-gas shift reaction. Carbon monoxide is preferentially adsorbed on the platinum electrocatalyst in the PEFC, thus blocking the access of H{sub 2} to the surface of the catalyst and resulting in the degradation of the cell performance. Therefore, the CO concentration in the PBFC reformate must be reduced to a tolerable level of {le} 100 ppm (1). Catalytic preferential oxidation (2), anode air bleed (3), or a combination of the two can be used to reduce CO to trace levels, but their use in a dynamically varying system is problematic. We are developing a sorption process based on the reversible complex-forming and dissociation reactions of CO with Cu(I). These reactions are well documented in patent and literature (4,5).

The Oak Ridge National Laboratory (ORNL) is ''bringing science to life'' through the creation of knowledge; the invention of new tools and techniques; the scientific analysis of complex situations; and the design, construction and operation of research facilities used by scientists and engineers from throughout the world. ORNL creates and uses partnerships as a means for conducting collaborative research and development (R and D), facilitating access to its capabilities, improving the utilization of its unique science and technological facilities, and assisting in commercialization of technology. This paper will concentrate on seven of the mechanisms used to access ORNL facilities and expertise namely, Cooperative Research and Development Agreements, License Agreements, Personnel Exchanges, Small Business Innovative Research and Small Business Technology Transfer Partnerships, Technical Assistance Program, User Facility Agreements, and Work For Others Agreements. Cooperative Research and Development Agreements, also known as CRADAs, create formal teams of researchers from ORNL and private industry for the purpose of collaborating on an R and D area of interest to both partners. License Agreements give commercial entities authorization to use ORNL-developed technologies for specified purposes. A Personnel Exchange either locates ORNL employees at the site of the partner organization, or, brings the employee(s) of the …

An initial investigation for the use of an amorphous silicon flat panel as an imaging detector for thermal neutrons is described. A dpiX Model SS2200 imaging panel was used with a Li-6 enriched, LiF-ZnS(Ag) scintillator screen for a thermal neutron imaging investigation using the Breazeale Nuclear Reactor and the neutron radiography facility at Penn State University''s Radiation Science and Engineering Center. Good quality thermal neutron images were obtained at exposures in the range of 106 to 107n/cm2, values that compare favorably with those normally required for a medium-speed film result. Spatial resolution observed was in the order of 2 line pairs/mm, a value consistent with the resolution limitation of the imaging screen. The neutron images showed excellent quality, as determined with radiographs of the modified Type A gage test piece, often used to evaluate thermal neutron radioscopic images. Fourteen consecutive holes in the ''A'' gage test piece were observed, an excellent result as compared to typical neutron radioscopic systems.

This report presents the results of a Fermilab study of the sensitivity for Higgs boson production at the upgraded Tevatron in Run II. The study extends previous Tevatron results by combining all possible search channels, considering the production of higher mass Higgs bosons and interpreting the results in the context of supersymmetric Higgs production as well as Standard Model production.

Detection of Chemical/Biological Agents and Simulants A new detector for chemical and biological agents is being developed for the U. S. Army under the Chemical and Biological Mass Spectrometer Block II program. The CBMS Block II is designed to optimize detection of both chemical and biological agents through the use of direct sampling inlets [I], a multi- ported sampling valve and a turbo- based vacuum system to support chemical ionization. Unit mass resolution using air as the buffer gas [2] has been obtained using this design. Software to control the instrument and to analyze the data generated from the instrument has also been newly developed. Detection of chemical agents can be accomplished. using the CBMS Block II design via one of two inlets - a l/ I 6'' stainless steel sample line -Chemical Warfare Air (CW Air) or a ground probe with enclosed capillary currently in use by the US Army - CW Ground. The Block II design is capable of both electron ionization and chemical ionization. Ethanol is being used as the Cl reagent based on a study indicating best performance for the Biological Warfare (BW) detection task (31). Data showing good signal to noise for 500 pg of …

We report progress of a continuing effort to characterize and simulate the response of energetic materials (EMs), primarily HMX-based, under conditions leading to cookoff. Our experiments include mechanical-effects testing of HMX and FIMX with binder at temperatures nearing decomposition thresholds. Additional experiments have focused on decomposition of these EMs under confinement, measuring evolution of gas products and observing the effect of pressurization on the solid. Real-time measurements on HMX show abrupt changes that maybe due to sudden void collapse under increasing load. Postmortem examination shows significant internal damage to the pellets, including voids and cracks. These experiments have been used to help develop a constitutive model for pure HMX. Unconfined uniaxial compression tests were performed on HMX and LX-14 to examine the effect of binders on the deviatoric strength of EM pellets, and to assess the need of including deviatoric terms in the model. A scale-up experiment will be described that is being developed to validate the model and provide additional diagnostics.

Whereas polymeric and common inorganic anions frequently deprive the synthetic chemist of a chance to modify a charge transfer salt's structure through anion alterations, discrete organometallic anions provide a vast opportunity to probe the structure/property correlations of a material through rational synthetic methods. We have recently undertaken a research effort aimed at the crystallization of conducting charge transfer salts which possess modifiable, organometallic anions as the charge compensating entities. This research has been richly rewarded with the discovery of a new family of bis(ethylenedithio) tetrathiafulvalene (BEDT-TTF or ET) based molecular superconductors. Herein is presented a summary of over twenty {kappa}(ET){sub 2}M(CF{sub 3}){sub 4}(1,1,2-trihaloethane) (M = Cu, Ag, Au) superconducting salts. Three new related salts are also reported: (ET){sub 2} [trans-Ag(CF{sub 3}),(CN){sub 2}], {kappa}{sub L}(BEDT-TSF){sub 2}Ag(CF{sub 3}){sub 4}(TCE), and {kappa}{sub L}(ET){sub 2}Ag(CF{sub 3}){sub 3}Cl(TCE).

The refining industry is a major source of CO{sub 2} emissions in the industrial sector and therefore in the future can expect to face increasing pressures to reduce emission levels. The energy used in refining is impacted by market dictates, crude quality, and environmental regulations. While the industry is technologically advanced and relatively efficient opportunities nevertheless exist to reduce energy usage and CO{sub 2} emissions. The opportunities will vary from refinery to refinery and will necessarily have to be economically viable and compatible with each refiner's strategic plans. Recognizing the many factors involved, a target of 15-20% reduction in CO{sub 2} emissions from the refining sector does not appear to be unreasonable, assuming a favorable investment climate.