The porosities of three mesoporous silica materials were characterized with {sup 129}Xe NMR spectroscopy. The materials were synthesized by a sol-gel process with r = 0, 25, and 70% methanol by weight in an aqueous cetyltrimethylammonium bromide solution. Temperature dependent chemical shifts and spin lattice relaxation times reveal that xenon does not penetrate the pores of the largely disordered (r= 70%) silica. For both r = 0 and 25%, temperature dependent resonances corresponding to physisorbed xenon were observed. An additional resonance for the r = 25% sample was attributed to xenon between the disordered cylindrical pores. 2D NMR exchange experiments corroborate the spin lattice relaxation data which show that xenon is in rapid exchange between the adsorbed and the gas phase.

A 1200 channel Si(Li) detector system has been developed for transvenous coronary angiography experiments using synchrotron radiation. It is part of the synchrotron medical imaging facility at the National Synchrotron Light Source. The detector is made from a single crystal of lithium-drifted silicon with an active area 150 mm long {times} 11 mm high {times} 5 mm thick. The elements are arranged in two parallel rows of 600 elements with a center-to-center spacing of 0.25 mm. All 1200 elements are read out simultaneously every 4 ms. A Intel 80486 based computer with a high speed digital signal processing interface is used to control the beamline hardware and to acquire a series of images. The signal-to-noise, linearity and resolution of the system have been measured. Human images have been taken with this system.

DOE's Atmospheric Chemistry Program is providing partial funding for the Atmospheric Chemistry Colloquium for Emerging Senior Scientists (ACCESS) and FY 1997 Gordon Research Conference in Atmospheric Chemistry

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The response matrix, consisting of the closed orbit change at each beam position monitor (BPM) due to corrector magnet excitations, was measured and analyzed in order to calibrate a linear optics model of SPEAR. The model calibration was accomplished by varying model parameters to minimize the chi-square difference between the measured and the model response matrices. The singular value decomposition (SVD) matrix inversion method was used to solve the simultaneous equations. The calibrated model was then used to calculate corrections to the operational lattice. The results of the calibration and correction procedures are presented.

A risk-based logic model is suggested as an appropriate basis for better predicting accident progression and ensuing source terms to the environment from process upset conditions in complex chemical process facilities. Under emergency conditions, decision-makers may use the Accident Progression Event Tree approach to identify the best countermeasure for minimizing deleterious consequences to receptor groups before the atmospheric release has initiated. It is concluded that the chemical process industry may use this methodology as a supplemental information provider to better comply with the Environmental Protection Agency`s proposed 40 CFR 68 Risk Management Program rule. An illustration using a benzene-nitric acid potential interaction demonstrates the value of the logic process. The identification of worst-case releases and planning for emergency response are improved through these methods, at minimum. It also provides a systematic basis for prioritizing facility modifications to correct vulnerabilities.

Using multi-ion MGPT interatomic potentials derived from first- principles generalized pseudopotential theory, we have performed accurate atomistic simulations on the energetic of dislocation motion in the bcc transition metal Mo. Our calculated results include the (110) and (211) generalized stacking fault ({gamma}) energy surfaces, the Peierls stress required to move an ideal straight <111> screw dislocation, and the kink-pair formation energy for nonstraight screw dislocations. Many-body angular forces, which are accounted for in the present theory through explicit three- and four-ion potentials, are quantitatively important to such properties for the bcc transition metals. This is demonstrated explicitly through the calculated {gamma} surfaces, which are found to be 10-50% higher in energy than those obtained with pure radial-force models. The Peierls stress for an applied <111>/{l_brace}112{r_brace} shear is computed to be about 0.025{mu}, where {mu} is the bulk shear modulus. For zero applied stress, stable kink pairs are predicted to form for kink lengths greater than 4b, where b is the magnitude of the Burgers vector. For long kinks greater than 15b, the calculated asymptotic value of the kink-pair formation energy is 2.0 eV.

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The standard definition for an achromat is a transport line having zero values for the spatial dispersion (R16) and the angular dispersion (RZ6). For a bunched beam with linear space charge this definition of achromaticity does not hold. The linear space charge in the presence of a bend provides coupling between (a) bunch spatial width and bunch length (R1.5) and (b) bunch angular spread and bunch length (R25). Therefore, achromaticity should be redefined as a line having zero values of the spatial dispersion (R16), the angular dispersion (R26), and matrix elements R15 and R25. These additional conditions (R15=R25=0) can be achieved, for example, with two small RF cavities at appropriate locations in the achromat, to cancel space charge effects. An example of the application of this technique to the Spallation Neutron Source (SNS) high energy beam transport line is presented.

A nuclear weapons identification system (NWIS), under development since 1984 at the Oak Ridge Y-12 Plant and presently in use there, uses active neutron interrogation with low-intensity {sup 252}Cf sources in ionization chambers to provide a timed source of fission neutrons from the spontaneous fission of {sup 252}Cf. To date, measurements have been performed on {approximately}15 different weapons systems in a variety of configurations both in and out of containers. Those systems included pits and fully assembled systems ready for deployment at the Pantex Plant in Amarillo, Texas, and weapons components at the Oak Ridge Y-12 Plant. These measurements have shown that NWIS can identify nuclear weapons and/or components; nuclear weapons/components can be distinguished from mockups where fissile material has been replaced by nonfissile material; omissions of small amounts (4%) of fissile material can be detected; changes in internal configurations can be determined; trainer parts can be identified as was demonstrated by verification of 512 containers with B33 components at the Y-12 Plant (as many as 32 in one 8-hour shift); and nonfissile components can be identified. The current NWIS activities at the Oak Ridge Y-12 Plant include: (1) further development of the system for more portability and lower power …

Nanostructured particles exhibiting well-defined pore sizes and pore connectivities (1-, 2-, or 3-dimensional) are of interest for catalysis, chromatography, controlled release, low dielectric constant fillers, and custom-designed pigments and optical hosts. During the last several years considerable progress has been made on controlling the macroscopic forms of mesoporous silicas prepared by surfactant and block copolymer liquid crystalline templating procedures. Typically interfacial phenomena are used to control the macroscopic form (particles, fibers, or films), while self-assembly of amphiphilic surfactants or polymers is used to control the mesostructure. To date, although a variety of spherical or nearly-spherical particles have been prepared, their extent of order is limited as is the range of attainable mesostructures. They report a rapid, aerosol process that results in solid, completely ordered spherical particles with stable hexagonal, cubic, or vesicular mesostructures. The process relies on evaporation-induced interfacial self-assembly (EISA) confined to a spherical aerosol droplet. The process is simple and generalizable to a variety of materials combinations. Additionally, it can be modified to provide the first aerosol route to the formation of ordered mesostructured films.

A high level rf system, including a power amplifier and cavity, has been designed and built for the AGS Booster. It covers a frequency range of 2.4 to 4.2 MHz and will be used to accelerate high intensity protons. Low intensity polarized protons and heavy ions, to the 1.5 GeV level. A total accelerating voltage of up to 90 kV will be provided by two cavities, each having two gaps. The internally cross coupled, pushpull cavities are driven by an adjacently located power amplifier. In order to accommodate beam intensities up to 0.75 {times} 10{sup 13} protons per bunch, a low plate resistance power tetrode is used. The tube anode is magnetically coupled to one of the cavity's two parallel cells. The amplifier is a grounded cathode configuration driven by a remotely located solid-state amplifier. It has been tested in the laboratory at full gap voltage with satisfactory results. 5 refs., 2 figs., 1 tab.

Examination of corrosion coupons by transmission electron microscopy after their exposure in the Idaho Advanced Test Reactor (ATR) has broadened the Zircaloy-4 precipitate-amorphization database and validated a new kinetic model for previously unavailable values of temperature and fast-neutron flux. The model describes the amorphization of Zr(Fe,Cr){sub 2} intermetallic precipitates in zirconium alloys as a dynamic competition between radiation damage and thermal annealing that leaves some iron atoms available for flux-assisted diffusion to the zirconium matrix. It predicts the width of the amorphous zone as a function of neutron flux (E&gt;1 MeV), temperature, and time. In its simplest form, the model treats the crystalline/amorphous and precipitate/matrix interfaces as parallel planes, and its accuracy decreases for small precipitates and high fluence as the amorphous-zone width approaches precipitate dimensions. The simplest form of the model also considers diffusion to be rate-determining. This is an accurate approximation for steady-state conditions or slow changes in flux and temperature, but inappropriate for the analysis of faster transients. The paper addresses several difficulties inherent in measuring amorphous-zone width, and utilizes the expanded database to evaluate the improvements in predictive accuracy available through both conversion of the model to spherical coordinates and extension of its time dependency.

We have previously presented simple elastic deformation modeling results for three classes of seismic events of concern in monitoring the CTBT--underground explosions, mine collapses and earthquakes. Those results explored the theoretical detectability of each event type using synthetic aperture radar interferometry (InSAR) based on commercially available satellite data. In those studies we identified and compared the characteristics of synthetic interferograms that distinguish each event type, as well the ability of the interferograms to constrain source parameters. These idealized modeling results, together with preliminary analysis of InSAR data for the 1995 mb 5.2 Solvay mine collapse in southwestern Wyoming, suggested that InSAR data used in conjunction with regional seismic monitoring holds great potential for CTBT discrimination and seismic source analysis, as well as providing accurate ground truth parameters for regional calibration events. In this paper we further examine the detectability and ''discriminating'' power of InSAR by presenting results from InSAR data processing, analysis and modeling of the surface deformation signals associated with underground explosions. Specifically, we present results of a detailed study of coseismic and postseismic surface deformation signals associated with underground nuclear and chemical explosion tests at the Nevada Test Site (NTS). Several interferograms were formed from raw ERS-1/2 radar …

We generally use large-scale hydrocodes to study the dynamic response of targets to influence pulsed radiation loads. However, for many applications where the desired solution does not require a detailed specification of pressure- or velocity-time histories, there are simple analytic approaches that can yield surprisingly accurate results. Examples include determining either the final velocity of a radiation-driven flying plate or the impulse delivered to a structural element. These methods are all based on relatively straightforward use of conservation of mass and momentum, but they typically need one scaling-law parameter. In this context, short pulse means short compared to the characteristic time of the desired response, which allows for the phenomena to be essentially uncoupled. High fluence means that the input energy is great enough to yield vaporization or blowoff of one or more portions of the configuration. We discuss some of these methods, give examples, and suggest limitations and criteria for their use.

Advanced radiographic systems for stockpile stewardship require very small x-ray sources to achieve the required resolution. Focusing multi-kiloampere beams to diameters on the order of 1 mm onto a Bremsstrahlung target leads to the generation of axial electric fields on the order of several MV/cm which act to extract ions out of the surface plasma and accelerate them upstream into the beam. These backstreaming ions act as a distributed electrostatic lens which can perturb the focus of the electron beam in a time varying manner during the pulse. An analytic model of the ion extraction is presented for a particular target geometry along with scaling laws for the perturbation of the focal spot.

Analytical expressions used to optimize AR coatings for single junction solar cells are extended for use in monolithic, series interconnected multi-junction solar cell AR coating design. The result is an analytical expression which relates the solar cell performance (through J{sub sc}) directly to the AR coating design through the device reflectance. It is also illustrated how AR coating design be used to provide an additional degree of freedom for current matching multi-junction devices.

This report describes utilization of multilayer mirrors and beam splitters to develop x-ray laser interferometry, radiography, and deflectometry to probe high-density laser plasmas.

Calibration of hydroacoustic and T-phase stations for Comprehensive Nuclear-Test-Ban Treaty (CTBT) monitoring will be an important element in establishing new operational stations and upgrading existing stations. Calibration of hydroacoustic stations is herein defined as precision location of the hydrophones and determination of the amplitude response from a known source energy. T-phase station calibration is herein defined as a determination of station site attenuation as a function of frequency, bearing, and distance for known impulsive energy sources in the ocean. To understand how to best conduct calibration experiments for both hydroacoustic and T-phase stations, an experiment was conducted in May, 1999 at Ascension Island in the South Atlantic Ocean. The experiment made use of a British oceanographic research vessel and collected data that will be used for CTBT issues and for fundamental understanding of the Ascension Island volcanic edifice.

We present results of multiple-time-scale simulations of 5, 10 and 15 keV low temperature ion implantation of arsenic on silicon (100), followed by high temperature anneals. The simulations start with a molecular dynamics (MD) calculation of the primary state of damage after 10ps. The results are then coupled to a kinetic Monte Carlo (MC) simulation of bulk defect diffusion and clustering. Dose accumulation is achieved considering that at low temperatures the damage produced in the lattice is stable. After the desired dose is accumulated, the system is annealed at 800{degrees}C for several seconds. The results provide information on the evolution for the damage microstructure over macroscopic length and time scales and affords direct comparison to experimental results. We discuss the database of inputs to the MC model and how it affects the diffusion process.

AlliedSignal Federal Manufacturing & Technologies (FM&T) was asked to perform a proof-of-concept study for the Missouri Highway and Transportation Department (MHTD), Research Division, in June 1997. The goal of this proof-of-concept study was to ascertain if automated scanning and imaging techniques might be applied effectively to the problem of concrete evaluation. In the current evaluation process, a concrete sample core is manually scanned under a microscope. Voids (or air spaces) within the concrete are then detected visually by a human operator by incrementing the sample under the cross-hairs of a microscope and by counting the number of "pixels" which fall within a void. Automation of the scanning and image analysis processes is desired to improve the speed of the scanning process, to improve evaluation consistency, and to reduce operator fatigue. An initial, proof-of-concept image analysis approach was successfully developed and demonstrated using acquired black and white imagery of concrete samples. In this paper, the automated scanning and image capture system currently under development will be described and the image processing approach developed for the proof-of-concept study will be demonstrated. A development update and plans for future enhancements are also presented.

This paper presents a new approach for the automatic definition and treatment of mechanical contact in explicit nonlinear finite element analysis. Automatic contact offers the benefits of significantly reduced model construction time and fewer opportunities for user error, but faces significant challenges in reliability and computational costs. Key aspects of the proposed new method include automatic identification of adjacent and opposite surfaces in the global search phase, and the use of a well-defined surface normal which allows a consistent treatment of shell intersection and corner contact conditions without a ad-hoc rules. The paper concludes with three examples which illustrate the performance of the newly proposed algorithm in the public DYNA3D code.

Mixed dark matter scenario can reconcile the COBE data and the observed large scale structure. So far the massive neutrino with a mass of a few eV has been the only discussed candidate for the hot dark matter component. We point out that the hadronic axion in the so-called hadronic axion window, f{sub a} {approx} 10{sup 6} GeV, is a perfect candidate as hot dark matter within the mixed dark matter scenario. The current limits on the hadronic axion are summarized. The most promising methods to verify the hadronic axion in this window are the resonant absorption of almost-monochromatic solar axions from M1 transition of the thermally excited {sup 57}Fe in the Sun, and the observation of the ''axion burst'' in water Cerenkov detectors from another supernova.

During normal DARHT II operation, the beam exiting the accelerator will be well characterized by its nominal design parameters of 20-MeV, 2000-Amperes, 2-{micro}sec-pulse length, and 3 cm-mr unnormalized emittance. Normal operation will have the beam delivered to a beam dump via several DC magnets. A 2-way kicker magnet is used to deflect portions of the beam into the straight ahead beamline leading to either a diagnostic beamline or to the converter target beamline. During start up and or beam development periods, the beam exiting the accelerator may have parameters outside the acceptable range of values for normal operation. The Enge beamline must accommodate this range of unacceptable beam parameters, delivering the entire 80 KiloJoule of beam to the dump even though the energy, emittance, and/or match is outside the nominal design range.