Publications

A new approach to modeling solar thermal electric plants using the TRNSYS simulation environment is discussed. The TRNSYS environment offers many advantages over currently used tools, including the option to more easily study the hybrid solar/fossil plant configurations that have been proposed to facilitate market penetration of solar thermal technologies. A component library developed for Rankine cycle, Brayton cycle, and solar system modeling is presented. A comparison between KPRO and TRNSYS results for a simple Rankine cycle show excellent correlation.

At the request of US sponsors Spencer Management Associates (SMA) and Sun{diamond}Lab, China`s Center for Renewable Energy Development and former Ministry of Electric Power conducted an initial appraisal of the issues involved with developing China`s first solar thermal electric power plant in the sunbelt regions of Tibet or Xinjiang provinces. The appraisal concerns development of a large-scale, grid-connected solar trough or tower project capable of producing 30 or more megawatts of electricity. Several of the findings suggest that Tibet could be a niche market for solar thermal power because a solar plant may be the low-cost option relative to other methods of generating electricity. China has studied the concept of a solar thermal power plant for quite some time. In 1992, it completed a pre-feasibility study for a SEGS-type parabolic trough plant with the aid of Israel`s United Development Limited. Because the findings were positive, both parties agreed to conduct a full-scale feasibility study. However, due to funding constraints, the study was postponed. Most recently, Sun{diamond}Lab and SMA asked China to broaden the analysis to include tower as well as trough concepts. The findings of this most recent investigation completed i November of 1997, are the subject of this paper. The main conclusions of all studies conducted to date suggest that a region in the proximity of Lhasa, Tibet, offers the best near-term opportunity within China. The opportunities for solar thermal power plants in other regions of China were also investigated.

Density functional theories (DFT) for inhomogeneous fluids have been used profitably to study the structure of fluids near surfaces, and to predict solvation forces, adsorption isotherm, and a variety of surface induced phase transitions. However, in nearly all cases, only geometries with 2 symmetry planes (e.g. fluid near a uniform planar interface or a fluid in a uniform cylindrical pore) have been considered. In this paper the authors discuss the generalization of the DFT to cases with either one or no symmetry planes. They present their computational approach, as well as results for charged cylindrical polyelectrolytes and planar surfaces with inhomogeneous chemistry.

The dual control volume grand canonical molecular dynamics (DCV-GCMD) method, designed to enable the dynamic simulation of a system with a steady state chemical potential gradient is first briefly reviewed. A new, novel implementation of the method which enables the establishment of a steady state chemical potential gradient in a multicomponent system without having to insert or delete one of the components is then presented and discussed.

A quick look at the geothermal industry shows a small industry producing about $1 billion in electric sales annually. The industry is becoming older and in need of new innovative solutions to instrumentation problems. A quick look at problem areas is given along with basic instrumentation requirements. The focus of instrumentation is on high temperature electronics.

The desire to reduce the time and cost of design engineering on new components or to validate existing designs in new applications is stimulating the development of modeling and simulation tools. The authors are applying a model-based design approach to low and moderate rate versions of the Li/SOCl{sub 2} D-size cell with success. Three types of models are being constructed and integrated to achieve maximum capability and flexibility in the final simulation tool. A phenomenology based electrochemical model links performance and the cell design, chemical processes, and material properties. An artificial neural network model improves computational efficiency and fills gaps in the simulation capability when fundamental cell parameters are too difficult to measure or the forms of the physical relationships are not understood. Finally, a PSpice-based model provides a simple way to test the cell under realistic electrical circuit conditions. Integration of these three parts allows a complete link to be made between fundamental battery design characteristics and the performance of the rest of the electrical subsystem.

At Sandia National Laboratories the authors are evaluating the energy and power characteristics of commercially available Li-ion cells. Cells of several different sizes (20 Ah, 1.1 Ah, 0.750 Ah and {approximately}0.5 Ah) and geometries (cylindrical and prismatic) from several manufacturers were studied. The cells were pulsed discharged at increasing currents (50 mA to 1,000 mA) over a range of temperatures (+35 C to {minus}40 C) and at different states of charge (4.1 V, open circuit voltage (OCV), fully charged, 3.6 V OCV partially discharged and 3.1 V OCV nearly discharged) and the voltage drop was recorded. The voltage drop was small at ambient and near ambient temperatures indicating that the total cell internal impedance was small under these conditions. However, at {minus} 40 C the voltage drop was significant due to an increase in the cell internal impedance. At a given temperature, the voltage drop increases with decreasing state-of-charge (SOC) or OCV. The cell impedance and other electrochemical properties as a function of temperature and SOC were also measured. The Ragone data indicate that the specific power and specific energy of Li-ion cells of different sizes are comparable and therefore scaling up to {approximately}20 Ah does not affect either the energy or the power.

Sandia National Laboratories has been chosen by the US Department of Energy as the primary domestic source for the production of molybdenum-99, utilizing the Annular Core Research Reactor. The method to be used to produce ⁹⁹Mo through the fission of ²³⁵U in 93% enriched UO₂ is based on the process formerly used by Cintichem, Inc. of Tuxedo, New York. The UO₂ is electroplated in a thin coating to the inside of stainless steel Cintichem targets which will be irradiated in the central region of the reactor core. The proposed on-site storage plan for the unirradiated targets is to store them in a dry, secure compartment similar to a file cabinet. Each cabinet drawer will be initially filled with targets and emptied as targets are removed for irradiation. The main objective of this analysis was to postulate and model a set of incredible accident scenarios beyond the proposed storage plan which would possibly induce criticality with the targets in the safe, and determine the k-effective and its associated standard deviation for these conditions. A parametric analysis was performed using Los Alamos National Laboratory`s MCNP (Monte Carlo Neutral Particle) code, Version 4A.

This report provides an updated set of users` instructions for PRONTO3D. PRONTO3D is a three-dimensional, transient, solid dynamics code for analyzing large deformations of highly nonlinear materials subjected to extremely high strain rates. This Lagrangian finite element program uses an explicit time integration operator to integrate the equations of motion. Eight-node, uniform strain, hexahedral elements and four-node, quadrilateral, uniform strain shells are used in the finite element formulation. An adaptive time step control algorithm is used to improve stability and performance in plasticity problems. Hourglass distortions can be eliminated without disturbing the finite element solution using either the Flanagan-Belytschko hourglass control scheme or an assumed strain hourglass control scheme. All constitutive models in PRONTO3D are cast in an unrotated configuration defined using the rotation determined from the polar decomposition of the deformation gradient. A robust contact algorithm allows for the impact and interaction of deforming contact surfaces of quite general geometry. The Smooth Particle Hydrodynamics method has been embedded into PRONTO3D using the contact algorithm to couple it with the finite element method.

Sandia National Laboratories/New Mexico (SNL/NM) is a research and development facility that generates many highly diverse, low-volume mixed waste streams. Under the Federal Facility Compliance Act, SNL/NM must treat its mixed waste in storage to meet the Land Disposal Restrictions treatment standards. Since 1989, approximately 70 cubic meters (2500 cubic feet) of heterogeneous, poorly characterized and inventoried mixed waste was placed in storage that could not be treated as specified in the SNL/NM Site Treatment Plan. A process was created to sort the legacy waste into sixteen well- defined, properly characterized, and precisely inventoried mixed waste streams (Treatability Groups) and two low-level waste streams ready for treatment or disposal. From June 1995 through September 1996, the entire volume of this stored mixed waste was sorted and inventoried through this process. This process was planned to meet the technical requirements of the sorting operation and to identify and address the hazards this operation presented. The operations were routinely adapted to safely and efficiently handle a variety of waste matrices, hazards, and radiological conditions. This flexibility was accomplished through administrative and physical controls integrated into the sorting operations. Many Department of Energy facilities are currently facing the prospect of sorting, characterizing, and treating a large inventory of mixed waste. The process described in this paper is a proven method for preparing a diverse, heterogeneous mixed waste volume into segregated, characterized, inventoried, and documented waste streams ready for treatment or disposal.

In 1993 Sandia was directed to design containers for the long-term storage and transport of nuclear weapons origin fissile material. This program was undertaken at the direction of the US Department of Energy and in cooperation with Lawrence Livermore National Laboratory and Los Alamos National Laboratory. Lawrence Livermore National Laboratory and Los Alamos National Laboratory were tasked with developing the internal fixturing for the contents. The hardware is being supplied by AlliedSignal Federal Manufacturing and Technologies, and the packaging process has been developed at Mason and Hanger Corporation`s Pantex Plant. The unique challenge was to design a container that could be sealed with the fissile material contents; and, anytime during the next 50 years, the container could be transported with only the need for the pre-shipment leak test. This required a rigorous design capable of meeting the long-term storage and transportation requirements. This report addresses the final testing that was undertaken to demonstrate compliance with US radioactive materials transport regulations.

A prototype high frequency tuning fork oscillator has been fabricated and tested in an integrated surface micromachining technology. The amplifier circuitry uses a capacitive current detection method, which offers superior noise performance over previous resistive methods. The prototype device has an output frequency of 1.022 MHz and exhibits a noise floor of {minus}88 dBc/Hz at a distance of 500 Hz from the carrier. The dominant source of frequency instability is the nonlinearity introduced by the use of parallel plate actuation.

The authors attempt to extend their previous efforts towards a reliable control scheme that guarantees a specified degree of reliability for civil engineering structures. Herein, a two degree of freedom system is examined. Covariance control techniques are explored to design a compensator that will provide optimal closed loop performance, while satisfying a constraint on system reliability. It was found for the system under examination that a stable control does not exist that also meets the target reliability level. Alternate formulations continue to be investigated.

This paper summarizes the results of cutting tests performed using an actively damped boring bar to minimize chatter in metal cutting. A commercially available 2 inch diameter boring bar was modified to incorporate PZT stack actuators for controlling tool bending vibrations encountered during metal removal. The extensional motion of the actuators induce bending moments in the host structure through a two-point preloaded mounting scheme. Cutting tests performed at various speeds and depths of cuts on a hardened steel workpiece illustrate the bar`s effectiveness toward eliminating chatter vibrations and improving workpiece surface finish.

The application of physico-chemical phenomena to either increase machinability of hard materials, improve the wear resistance of cutting surfaces, or enhance sintering of particle compacts can have large economic impact on technologies ranging from materials forming processes to oil well drilling. Unfortunately, the broad application of these physico-chemical principles is limited by the authors ability to predict the optimum conditions for a wide variety of materials surfaces. Predictive models must be built upon understanding of the elementary events involved in surface damage and mobility. The authors have developed a new approach to examine the fundamental mechanisms controlling physico-chemical surface stability that combines: (1) atomic-scale control of surface contact forces and displacements under well controlled adsorbate conditions using the Interfacial Force Microscope, (2) atomic-level imaging of surface and near-surface structure and defects using Field Ion Microscopy, and (3) first-principles modeling of the effect of surface stress on adsorbate bonding interactions and the subsequent generation of surface damage. This unique combination of approaches has provided new insights into observed physico-chemical phenomena and provided the basis for developing true predictive models that are needed for wide application of these important new approaches to modifying the surface sensitive properties of materials.

The Single Heater Test (SHT) is a sixteen-month-long heating and cooling experiment begun in August, 1996, located underground within the unsaturated zone near the potential geologic repository at Yucca Mountain, Nevada. During the 9 month heating phase of the test, roughly 15 m{sup 3} of rock were raised to temperatures exceeding 100 C. In this paper, temperatures measured in sealed boreholes surrounding the heater are compared to temperatures predicted by 3D thermal-hydrologic calculations performed with a finite difference code. Three separate model runs using different values of bulk rock permeability (4 microdarcy to 5.2 darcy) yielded significantly different predicted temperatures and temperature distributions. All the models differ from the data, suggesting that to accurately model the thermal-hydrologic behavior of the SHT, the Equivalent Continuum Model (ECM), the conceptual basis for dealing with the fractured porous medium in the numerical predictions, should be discarded in favor of more sophisticated approaches.

The occurrence of gas in salt mines and caverns has presented some serious problems to facility operators. Salt mines have long experienced sudden, usually unexpected expulsions of gas and salt from a production face, commonly known as outbursts. Outbursts can release over one million cubic feet of methane and fractured salt, and are responsible for the lives of numerous miners and explosions. Equipment, production time, and even entire mines have been lost due to outbursts. An outburst creates a cornucopian shaped hole that can reach heights of several hundred feet. The potential occurrence of outbursts must be factored into mine design and mining methods. In caverns, the occurrence of outbursts and steady infiltration of gas into stored product can effect the quality of the product, particularly over the long-term, and in some cases renders the product unusable as is or difficult to transport. Gas has also been known to collect in the roof traps of caverns resulting in safety and operational concerns. The intent of this paper is to summarize the existing knowledge on gas releases from salt. The compiled information can provide a better understanding of the phenomena and gain insight into the causative mechanisms that, once established, can help mitigate the variety of problems associated with gas releases from salt. Outbursts, as documented in mines, are discussed first. This is followed by a discussion of the relatively slow gas infiltration into stored crude oil, as observed and modeled in the caverns of the US Strategic Petroleum Reserve. A model that predicts outburst pressure kicks in caverns is also discussed.

A cooperative national laboratory/industry research program was initiated in 1994 that improved understanding of the geomechanical processes causing well casing damage during oil production from weak, compactible formations. The program focused on the shallow diatomaceous oil reservoirs located in California`s San Joaquin Valley, and combined analyses of historical field data, experimental determination of rock mechanical behavior, and geomechanical simulation of the reservoir and overburden response to production and injection. Sandia National Laboratories` quasi-static, large-deformation structural mechanics finite element code JAS3D was used to perform the three-dimensional geomechanical simulations. One of the material models implemented in JAS3D to simulate the time-independent inelastic (non-linear) deformation of geomaterials is a generalized version of the Sandler and Rubin cap plasticity model (Sandler and Rubin, 1979). This report documents the experimental rock mechanics data and material cap plasticity models that were derived to describe the Belridge Diatomite reservoir rock at the South Belridge Diatomite Field, Section 33.

The Waste Isolation Pilot Plant (WIPP) Compliance Certification Application (CCA) Performance Assessment (PA) Parameter Database and its ties to supporting information evolved over the course of two years. When the CCA was submitted to the Environmental Protection Agency (EPA) in October 1996, information such as identification of parameter value or distribution source was documented using processes established by Sandia National Laboratories WIPP Quality Assurance Procedures. Reviewers later requested additional supporting documentation, links to supporting information, and/or clarification for many parameters. This guidebook is designed to document a pathway through the complex parameter process and help delineate flow paths to supporting information for all WIPP CCA parameters. In addition, this report is an aid for understanding how model parameters used in the WIPP CCA were developed and qualified. To trace the source information for a particular parameter, a dual-route system was established. The first route uses information from the Parameter Records Package as it existed when the CCA calculations were run. The second route leads from the EPA Parameter Database to additional supporting information.

The authors performed a series of experiments on the Particle Beam Fusion Accelerator II (PBFA II) in May, 1994, and obtained a brightness temperature of 61 {+-} 2 eV for an ion-beam heated hohlraum. The hohlraum was a 4-mm-diameter, right-circular cylinder with a 1.5-mm-thick gold wall, a low-density CH foam fill, and a 1.5- or 3-mm-diameter diagnostic aperture in the top. The nominal parameters of the radially-incident PBFA II Li ion beam were 9 MeV peak energy ({approximately}10 MeV at the gas cell) at the target at a peak power of 2.5 {+-} 0.3 TW/cm{sup 2} and a 15 ns pulse width. Azimuthal variations in intensity of a factor of 3, with respect to the mean, were observed. Nonuniformities in thermal x-ray emission across the area of the diagnostic hole were also observed. Time-dependent hole-closure velocities were measured: the time-averaged velocity of {approximately}2 cm/{micro}s is in good agreement with sound speed estimates. Unfolded x-ray spectra and brightness temperatures as a function of time are reported and compared to simulations. Hole closure corrections are discussed with comparisons between XRD and bolometer measurements. Temperature scaling with power on target is also presented.

This report summarizes a two-year Laboratory-Directed Research and Development (LDRD) program to gain understanding and control of the important parameters which govern the optical performance of rare-earth (RE) doped ceramics. This LDRD developed the capability to determine stable atomic arrangements in RE doped alumina using local density functional theory, and to model the luminescence from RE-doped alumina using molecular dynamic simulations combined with crystal-field calculations. Local structural features for different phases of alumina were examined experimentally by comparing their photoluminescence spectra and the atomic arrangement of the amorphous phase was determined to be similar to that of the gamma phase. The luminescence lifetimes were correlated to these differences in the local structure. The design of both high and low-phonon energy host materials was demonstrated through the growth of Er-doped aluminum oxide and lanthanum oxide. Multicomponent structures of rare-earth doped telluride glass in an alumina and silica matrix were also prepared. Finally, the optical performance of Er-doped alumina was determined as a function of hydrogen content in the host matrix. This LDRD is the groundwork for future experimentation to understand the effects of ionizing radiation on the optical properties of RE-doped ceramic materials used in space and other radiation environments.

Recommendations for improving the process for expert panel reviews of technical and programmatic aspects of science and technology programs are provided based on an evaluation study of pilot reviews for two programs at Sandia National Laboratories. These reviews were part of a larger Technical Review Pilot for the US Department of Energy (DOE). Both the Sandia Pulse Power program and Solar Thermal Electric program (a virtual lab with NREL) reviews used the recommended four DOE review criteria, but motivation for the review and the review process differed. These differences provide insight into recommendations for ways to improve the review of DOE`s multifaceted technical programs. Recommendations are: (1) Review when the program has specific need for information or validation. There is no one size fits all correct time or reason to review technical programs. (2) Tailor the four DOE criteria to the program and its need for information and explain them to the Review Panel. (3) Pay attention to the review process. Spend more time in preparation and pre-review and on briefings on the review outcomes. (4) Evaluate reviews to determine how to do them better. The survey instrument is provided for those who wish to modify it for their own use.

That there are significant definitional differences between languages is a statement of the obvious. It logically follows that definitional ambiguity occurs when translating a term from one language to another. The far-reaching implications of this fact, however, are not as widely recognized. One word that has been and will continue to be significant is warhead. This analysis (1) examines the different translations and definitions of the word warhead in English and Russian; (2) discusses the usage of warhead in the context of arms control; and (3) explores the implications definitional differences have for future negotiations. It specifically utilizes treaty texts, as well as the Helsinki agreement text, to construct a contextual use of warhead. It is concluded that if US policymakers are committed to including nuclear explosive devices in START III force reductions, negotiators must identify and use a more specific term than warhead or boyegolovka. Also included as an appendix are copies of the signed Helsinki agreement in both English and Russian.

As part of the design of the Process and Environmental Technology Laboratory (PETL) in FY97, an energy conservation report (ECR) was completed. The original energy baseline for the building, established in Title 1 design, was 595,000 BTU/sq. ft./yr, site energy use. Following the input of several reviewers and the incorporation of the various recommendations into the Title 2 design, the projected energy consumption was reduced to 341,000 BTU/sq. ft./yr. Of this reduction, it is estimated that about 150,000 BTU/sq. ft./yr resulted from inclusion of more energy efficient options into the design. The remaining reductions resulted from better accounting of energy consumption between Title 1 ECR and the final ECR. The energy efficient features selected by the outcome of the ECR were: (1) Energy Recovery system, with evaporative cooling assist, for the Exhaust/Make-up Air System; (2) Chilled Water Thermal Storage system; (3) Premium efficiency motors for large, year-round applications; (4) Variable frequency drives for all air handling fan motors; (4) Premium efficiency multiple boiler system; and (5) Lighting control system. The annual energy cost savings due to these measures will be about $165,000. The estimated annual energy savings are two million kWhrs electric, and 168,000 therms natural gas, the total of which is equivalent to 23,000 million BTUs per year. Put into the perspective of a typical office/light lab at SNL/NM, the annual energy savings is equal the consumption of a 125,000 square foot building. The reduced air emissions are approximately 2,500 tons annually.

Thermite (metal oxide) mixtures, intermetallic reactants, and metal fuels have long been used in pyrotechnic applications. Advantages of these systems typically include high energy density, impact insensitivity, high combustion temperature, and a wide range of gas production. They generally exhibit high temperature stability, and possess insensitive ignition properties. In this paper, the authors review the applications, benefits, and characteristics of thermite mixtures, intermetallic reactants, and metal fuels. Calculated values for reactant density, heat of reaction (per unit mass and per unit volume), and reaction temperature (without and with consideration of phase changes and the variation of specific heat values) are tabulated. These data are ranked in several ways, according to density, heat of reaction, reaction temperature, and gas production.