Showing papers by "United States Department of Energy published in 1997"

Resonant ultrasound spectroscopy

Abstract: A resonant ultrasound spectroscopy method provides a unique characterization of an object for use in distinguishing similar objects having physical differences greater than a predetermined tolerance. A resonant response spectrum is obtained for a reference object by placing excitation and detection transducers at any accessible location on the object. The spectrum is analyzed to determine the number of resonant response peaks in a predetermined frequency interval. The distribution of the resonance frequencies is then characterized in a manner effective to form a unique signature of the object. In one characterization, a small frequency interval is defined and stepped though the spectrum frequency range. Subsequent objects are similarly characterized where the characterizations serve as signatures effective to distinguish objects that differ from the reference object by more than the predetermined tolerance.

Direct measurement of single-molecule diffusion and photodecomposition in free solution

Abstract: Continuous monitoring of submillisecond free-solution dynamics of individual rhodamine-6G molecules and 30-base single-stranded DNA tagged with rhodamine was achieved. Fluorescence images were recorded from the same set of isolated molecules excited either through the evanescent field at the quartz-liquid interface or as a thin layer of solution defined by micron-sized wires, giving diffraction-limited resolution of interconnected attoliter volume elements. The single-molecule diffusion coefficients were smaller and the unimolecular photodecomposition lifetimes were longer for the dye-DNA covalent complex as compared with those of the dye molecule itself. Unlike bulk studies, stochastic behavior was found for individual molecules of each type, and smaller diffusion coefficients were observed.

Solidification structure and abrasion resistance of high chromium white irons

Abstract: Superior abrasive wear resistance, combined with relatively low production costs, makes high Cr white cast irons (WCIs) particularly attractive for applications in the grinding, milling, and pumping apparatus used to process hard materials. Hypoeutectic, eutectic, and hypereutectic cast iron compositions, containing either 15 or 26 wt pct chromium, were studied with respect to the macrostructural transitions of the castings, solidification paths, and resulting microstructures when poured with varying superheats. Completely equiaxed macrostructures were produced in thick section castings with slightly hypereutectic compositions. High-stress abrasive wear tests were then performed on the various alloys to examine the influence of both macrostructure and microstructure on wear resistance. Results indicated that the alloys with a primarily austenitic matrix had a higher abrasion resistance than similar alloys with a pearlitic/bainitic matrix. Improvement in abrasion resistance was partially attributed to the ability of the austenite to transform to martensite at the wear surface during the abrasion process.

Nucleation ahead of the advancing interface in directional solidification

Abstract: During directional solidification of an alloy, it is possible to nucleate the growing phase or a new phase at or ahead of the interface. This is critical in the phase selection, in the columnar to equiaxed transition under casting, welding or rapid solidification conditions and the formation of bands in peritectic systems. Following Hunt, an appropriate theoretical model is developed to determine the conditions under which nucleation can occur in the liquid close to a moving solid-liquid interface for both, low and high interface velocities. At high growth rates, non-equilibrium effects are shown to play an important role in predicting such transitions.

Comments on the Optical Constants of Metals and an Introduction to the Data for Several Metals

Abstract: Publisher Summary This chapter presents tables and plots of the optical constants N = n - ik for the metals Ag, Au, Cu, Ir, Mo, Ni, Os, Pt, Rh, W, and Al as a function of wavelength from the soft x-ray region to the near infrared. Preceding each data set is a short critique that outlines the procedures used to obtain the constants and the conditions under which they are measured. It is observed that each critique has its own independent set of references. Of all the metals, aluminum appears to have the most widespread spectral application, being used in optical components from the infrared to the soft x-ray region. The chapter also briefly illustrates the methods used to obtain the optical constants. There are four general methods for obtaining experimental data from which the optical constants can be deduced. The first three methods are based on the Fresnel relations for the reflection and transmission of radiation at a flat, smooth interface between two media. The fourth method uses electron-loss spectrum.

Scanning force microscopic exploration of the lubrication capabilities of n-alkanethiolate monolayers chemisorbed at gold : Structural basis of microscopic friction and wear

Abstract: This paper explores the ability of n-alkanethiolates chemisorbed at Au(111) to function as boundary lubricants at microscopic length scales as probed by scanning force microscopy (SFM). Through an examination of the influence of alkyl chain length, we show that the macroscopic structure of this system, as developed from insights into the chain-packing density via infrared reflection spectroscopy, greatly influences the observed friction and wear. That is, the longer chain monolayers exhibit a markedly lower friction and a reduced propensity to wear than the shorter chain monolayers, a situation that reflects the more extensive cohesive interactions between chains. From the combined weight of these findings, we examine the frictional process within the context of an activation mechanism that involves pressure and shear activation volumes. The ability of longer chain alkanethiolate monolayers to lubricate features that arise from changes in substrate topography is also presented, and the resulting mechanist...

Determination of diabatic states through enforcement of configurational uniformity

Abstract: . An electronic structure-based construction of diabatic states from adiabatic states is formulated that is applicable when individual diabatic states contain several dominant configurations. It is accomplished by maximizing the electronic uniformity of the diabatic states with respect to their dominant configurations throughout the entire nuclear coordinate region. The configurations are generated from unambiguously defined diabatization-adapted molecular orbitals. The orthogonal transformation from adiabatic to diabatic states is deduced by an intrinsic analysis of the adiabatic CI coefficients, without calculating matrix elements of additional, derivative or non-derivative operators. The practicality of the method is demonstrated by applying it to the conical intersection region of the 11 A 1 and 21 A 1 states of ozone.

Pharmacologic approaches to protection against radiation-induced lethality and other damage.

Abstract: Studies on mechanisms of radioprotection are leading to a more rational use of protectors for different applications. In considering the feasibility of radioprotectors that act through various mechanisms, it is necessary to distinguish the application needed, e.g., protection against accidental external or internal exposures, acute high-dose radiation injury or low doses over a long period, high-LET radiation exposures during space flight, and protection of normal tissues of cancer patients who are undergoing therapy. Protectors generally are classified as either sulfhydryl compounds, other antioxidants, or receptor-mediated agents (e.g., bioactive lipids, cytokines, and growth factors). This review focuses on comparative radioprotection and toxicity studies in mice using the most effective phosphorothioate agents designated as WR-compounds and other classes of protectors. The superiority of phosphorothioates (WR-2721, WR-151327) as radioprotectors appears to be related to their high affinity for DNA and the similarity in structure of phosphorothioate metabolites to polyamines, and their effects on processes related to DNA structure and synthesis. Drug tolerance levels are available from clinical trials using WR-2721 (amifostine) and provide a basis for discussions of the disadvantages of phosphorothioate administration outside a clinical setting. In this regard, arguments are presented against the current use of WR-2721 by Department of Energy personnel for planned radiation exposures during emergencies. Future research may demonstrate, however, that pharmacologic agents could be useful in accident scenarios, especially when used in combination with therapeutic measures. Assessment of potential prophylactic measures should consider compatibility with therapeutic measures currently in use or ones that might be available in the future for the treatment of radiation injuries. These include antiemetics, purified stem cells, granulocyte colony-stimulating factor, and other cytokines. Their potential usefulness against radiation-induced mutagenesis of pre- and postexposure administration of phosphorothioates and other classes of protectors should be corroborated in humans.

Characterization of Oscillations During Premix Gas Turbine Combustion

Abstract: The use of premix combustion in stationary gas turbines can produce very low levels of NO{sub x} emissions. This benefit is widely recognized, but turbine developers routinely encounter problems with combustion oscillations during the testing of new premix combustors. Because of the associated pressure fluctuations, combustion oscillations must be eliminated in a final combustor design. Eliminating these oscillations is often time-consuming and costly because there is no single approach to solve an oscillation problem. Previous investigations of combustion stability have focused on rocket applications, industrial furnaces, and some aeroengine gas turbines. Comparatively little published data is available for premixed combustion at conditions typical of an industrial gas turbine. In this paper, the authors report experimental observations of oscillations produced by a fuel nozzle typical of industrial gas turbines. Tests are conducted in a specially designed combustor capable of providing the acoustic feedback needed to study oscillations. Tests results are presented for pressures up to 10 atmospheres, theoretical considerations, it is expected that oscillations can be characterized by a nozzle reference velocity, with operating pressure playing a smaller role. This expectation is compared to observed data that shows both the benefits and limitations of characterizing the combustor oscillating behavior in termsmore » of a reference velocity rather than other engine operating parameters. This approach to characterizing oscillations is then used to evaluate how geometric changes to the fuel nozzle will affect the boundary between stable and oscillating combustion.« less

Prediction of a {1122} hcp stacking fault using a modified generalized stacking-fault calculation

Abstract: We present a new approach for calculating generalized stacking-fault energies, which allows for in-plane relaxation of atoms. When applied to the {112} slip plane in hcp materials, our approach predicts that a stable stacking fault occurs, associated with a slip of 1/6 (11 ) [tbnd] ½ (c + a). This is consistent with the edge dislocation with b = (c + a) breaking into two partial dislocations, each with b = 1/2 (c + a), observed in previous simulations of the dislocation cores. The resulting generalized stacking-fault energy profile may be useful in understanding the competition between {112} (11 ) twinning (observed in Zr and Ti) and the related slip mode, observed in Mg, Co and Zn.

Modulation with cytokines of radiation injury: suggested mechanisms of action.

Abstract: Cytokines, hormonelike proteins, produced by stimulated cells and tissues, were found to protect mice against lethal hematopoietic failure caused by ionizing radiation. Radioprotection was achieved by pretreatment with interleukin-1 (IL-1), tumor necrosis factor (TNF), IL-12, or stem cell factor (SCF) at 18 to 24 hr before irradiation. Pretreatment with antibodies to these cytokines rendered the mice more susceptible to radiation lethality, indicating that these cytokines play a role in innate resistance to radiation. In contrast, treatment with tumor growth factor beta (TGF-beta), a cytokine that inhibits cycling of primitive hematopoietic progenitors, sensitized mice to radiation lethality. The schedule of IL-1 administration was critical to its radioprotective effect. Evidence was obtained that this may be based on the induction of additional cytokines by IL-1. The radioprotective effects of cytokines can be based on induction of cycling of primitive progenitor cells (IL-1, SCF), prevention of apoptosis (SCF), and induction of scavenging proteins and enzymes (IL-1, TNF) that reduce oxidative damage. In contrast, radiosensitizing effects may be due to inhibition of progenitor cycling (TGF-beta) or enhanced progenitor cell apoptosis (TGF-beta). Thus, the insights gained from such studies at the whole-animal level promise a better understanding of the membrane and intracellular events associated with radiation damage and repair of such damage.

A mortality study of employees of the nuclear industry in Oak Ridge, Tennessee.

Abstract: An analysis was conducted of 27,982 deaths among 106,020 persons employed at four Federal nuclear plants in Oak Ridge, Tennessee, between 1943 and 1985. The main objectives were to extend the evaluation of the health effects of employment in the nuclear industry in Oak Ridge to include most workers who were omitted from earlier studies, to compare the mortality experience of workers among the facilities, to address methodological problems that occur when individuals employed at more than one facility are included in the analysis, and to conduct dose-response analyses for those individuals with potential exposure to external radiation. All-cause mortality and all-cancer mortality were in close agreement with national rates. The only notable excesses occurred for white males for lung cancer [standardized mortality ratio (SMR) = 1.18, 1,849 deaths] and non-malignant respiratory disease (SMR = 1.12, 1,568 deaths). A more detailed analysis revealed substantial differences in death rates among workers at the Oak Ridge plants. Evaluation of internally adjusted log SMRs using Poisson regression showed that workers employed only at Tennessee Eastman Corporation or K-25 and at multiple facilities had higher death rates than similar workers employed only at X-10 or Y-12, and that the differences were primarily due to non-cancer causes. Analysis of selected cancer causes for white males indicated large differences among the workers at the different facilities for lung cancer, leukemia and other lymphatic cancer. Dose-response analyses for external penetrating radiation were limited to a subcohort of 28,347 white males employed at X-10 or Y-12. Their collective recorded dose equivalent was 376 Sv. There was a strong "healthy worker effect" in this subcohort-all-cause SMR = 0.80 (4,786 deaths) and all-cancer SMR = 0.87 (1,134 deaths). Variables included in the analyses were age, birth cohort, a measure of socioeconomic status, length of employment, internal radiation exposure potential and facility. For external radiation dose with a 10-year lag, the excess relative risk was 0.31 per Sv (95% CI = -0.16, 1.01) for all causes and 1.45 per Sv (95% CI = 0.15, 3.48) for all cancer. The estimated excess relative risk for leukemia was negative but imprecisely determined. A preliminary dose adjustment procedure was developed to compensate for missing dose but not other dosimetry errors. Results of the analyses using the adjusted doses suggest that the effect of missing dose is an upward bias in dose-response coefficients and test statistics.

Abrasive wear of intermetallic-based alloys and composites

Abstract: In this study, the abrasive wear behavior of Fe3Al, TiAl, Ti3Al, Al3Ti, NiAl, Ni3Al and MoSi2, and composites based on these compounds, were assessed and compared to the behavior of selected metals, alloys and ceramics. Under the wear conditions used for these tests, the softer intermetallic compounds (e.g. TiAl and Fe3Al) behaved in a manner similar to the metals and alloys, whereas, the harder intermetallic compound (i.e. MoSi2) behaved more like a ceramic. The influence of Al atomic fraction, superlattice structure and ternary alloying additions on the wear behavior of Fe3Al was investigated. Controlling the Al content and third element additions affected wear resistance more than superlattice structure. Composite strengthening was also explored as a method for improving wear resistance. The addition of hard second phase particles (i.e. TiB2 to NiAl and SiC to MoSi2) was also very effective improving wear resistance. Surprisingly, the addition of softer Nb particles did not significantly degrade the wear resistance of a MoSi2 matrix, even at Nb additions of 40%.

Systematic Study of the Genus Vogesella gen. nov. and Its Type Species, Vogesella indigofera comb. nov.

Abstract: A blue-pigmented colony that had a metallic copper-colored sheen was isolated in 1973 from a standard spread plate count preparation of oxidation pond sediment. Over the next 11 years, an additional 12 strains of blue-pigmented bacteria were isolated from freshwater samples and compared to several reference strains of bacteria. Morphological and biochemical tests revealed that these 13 isolates were very similar to [Pseudomonas] indigofera ATCC 19706T (T = type strain) and ATCC 14036. A numerical analysis (in which simple matching similarity coefficients were clustered by the unweighted pair group mathematical averaging method) of morphological and biochemical characteristics revealed 90.0% relatedness between the 13 isolates and [P.] indigofera ATCC 19706T and ATCC 14036 and 73.6% relatedness between the 13 isolates and a cluster containing Burkholderia cepacia ATCC 25416T, Janthinobacterium lividum ATCC 12473T, and the Pseudomonas species tested. A phylogenetic analysis, in which both 5S rRNA and 16S rRNA were used, also revealed that the 13 isolates were closely related to each other and to strains ATCC 19706T and ATCC 14036. In addition, both 5S rRNA and 16S rRNA analyses demonstrated that the isolates and strains ATCC 19706T and ATCC 14036 were members of the beta subdivision of the Proteobacteria and were closely related to Chromobacterium violaceum ATCC 12742T but sufficiently distinct to warrant placement in a new genus. Accordingly, we propose that the 13 isolates and strains ATCC 19706T and ATCC 14306 be placed in the genus Vogesella gen. nov., which is named in honor of Otto Voges, who first isolated and described this blue-pigmented eubacterium in 1893. We also propose that [P.] indigofera be renamed Vogesella indigofera comb. nov. and designated the type species of the genus; strain ATCC 19706 is the type strain of this species.

A state-selected study of the ion–molecule reactions O+(4S,2D,2P)+N2

Abstract: Absolute state-selected cross sections for the reactions O+(4S,2D,2P)+N2→N2++O, NO++N, and N++NO (and/or N++N+O) have been measured in the center-of-mass collision energy (Ec.m.) range of 0.06–40 eV employing the differential retarding potential method and the O+(2D) and O+(2P) ion state-selection schemes we developed recently. Charge transfer is the overwhelming product channel for the O+(2D)+N2 and O+(2P)+N2 reactions. Contrary to the results of previous experiments, the charge transfer cross sections for O+(2P)+N2 are found to be 30%–100% greater than those for O+(2D)+N2. This observation suggests that N2 is an excellent quenching gas for O+(2D,2P). While the Ec.m. dependencies for the cross sections of NO+ from O+(4S)+N2 and O+(2D)+N2 are similar, exhibiting a broad maximum in the Ec.m. range of 1.5–8 eV, the cross section for NO+ from O+(2P)+N2 is found to decrease as Ec.m. is decreased. The N+ signal observed in the O+(4S)+N2 reaction is attributed to the formation of N++N+O. The pathway of O++N2→N+...

Charge localization in disordered colossal-magnetoresistance manganites

Abstract: The metallic or insulating nature of the paramagnetic phase of the colossal-magnetoresistance manganites is investigated via a double-exchange Hamiltonian with diagonal disorder. The mobility edge trajectory is determined with the transfer-matrix method. Density-of-states calculations indicate that random hopping alone is not sufficient to induce Anderson localization at the Fermi level with 20--30 % doping. We argue that the metal-insulator transition is likely due to the formation of localized polarons from nonuniform extended states as the effective bandwidth is reduced by random hoppings and electron-electron interactions.

Spatial Location of the Space Charge Effect in Individual Ion Clouds Using Monodisperse Dried Microparticulate Injection with a Twin Quadrupole Inductively Coupled Plasma Mass Spectrometer

Abstract: Pulses of analyte and matrix ions from individual drops are measured simultaneously using a twin quadrupole inductively coupled plasma mass spectrometer (ICP-MS). The sample solution is introduced by monodisperse dried microparticulate injection (MDMI). At modest Pb concentrations (500 ppm), a shoulder on the leading edge of the Li+ signal appears. At higher matrix concentrations (1000 to at least 1500 ppm), a dip in the leading edge of the Li+ signal develops. These changes in the shapes of the Li+ pulses are attributed to space charge effects in the extraction system and ion optics of the mass spectrometer. A qualitative depiction for this behavior is proposed, in which the Li+ ions are deflected out of the preferred ion path and then refocused by the ion optics. Part of the Li+ ion cloud is driven ahead of the Pb+ cloud, and part is trapped behind the Pb+ cloud. The result is a shoulder on the leading edge of the Li+ signal. With the Pb matrix present, the shapes of the analyte ion pulses are sensitive...

AMS measurement of environmental U-236 Preliminary results and perspectives

Abstract: 236U is a 23.4 Ma half-life radioactive isotope whose natural global abundance is expected to be overwhelmed in many places by its production and release during nuclear power generation. The detection of excess 236U in the environment is therefore a method of monitoring the presence of activated uranium. However, 236U has not been widely used for environmental studies due to the difficulties of measuring it at low levels with standard α-spectrometry or thermal ionization mass spectrometry. In principle, accelerator mass spectrometry can overcome some of the difficulties encountered in the traditional methods, making it possible to detect 236U at very low levels so that a large range of environmental samples can be analyzed. In this paper, we report some preliminary results of the 236U measurements of four water samples from the US Idaho Chemical Processing Plant. Limitations with our current AMS system and the perspectives for considerable improvements will be discussed.

Method for producing nanocrystalline multicomponent and multiphase materials

Abstract: A process for producing multi-component and multiphase nanophase materials is provided wherein a plurality of elements are vaporized in a controlled atmosphere, so as to facilitate thorough mixing, and then condensing and consolidating the elements. The invention also provides for a multicomponent and multiphase nanocrystalline material of specified elemental and phase composition having component grain sizes of between approximately 1 nm and 100 nm. This material is a single element in combination with a binary compound. In more specific embodiments, the single element in this material can be a transition metal element, a non-transition metal element, a semiconductor, or a semi-metal, and the binary compound in this material can be an intermetallic, an oxide, a nitride, a hydride, a chloride, or other compound.

Energetics of vacancy and substitutional impurities in aluminum bulk and clusters

Abstract: We present a careful study of the energetics of vacancy and substitutional impurities in aluminum in both the bulk and small cluster environments. The calculations are done within the framework of the local-density-functional formalism and are based on the pseudopotential method with plane-wave expansion and periodic boundary conditions. Both the ionic and electronic degrees of freedom are fully relaxed. The electronic structure problem is treated with a preconditioned conjugate-gradient method that applies equally well to insulators and metals, and is suitable for parallel computing. We have considered up to 216 atoms in the supercell, and we show that reliable results can be obtained with 108-atom cells with proper {bold k}-point sampling. Vacancy-formation energy, heats of solution of the impurities and the relaxations near the defects are in good agreement with available experimental data. The energetics of substitution in small clusters was found to be rather different from bulk. {copyright} {ital 1997} {ital The American Physical Society}