A non-local, ordinary-state-based, peridynamics viscoelasticity model is developed. In this model, viscous effects are added to deviatoric deformations and the bulk response remains elastic. The model uses internal state variables and is conceptually similar to linearized isotropic viscolelasticity in the local theory. The modulus state, which is used to form the Jacobian matrix in Newton-Raphson algorithms, is presented. The model is shown to satisfy the 2nd law of thermodynamics and is applicable to problems in solid continuum mechanics where fracture and rate effects are important; it inherits all the advantages for modeling fracture associated with peridynamics. By combining this work with the previously published ordinary-state-based plasticity model, the model may be amenable to viscoplasticity problems where plasticity and rate effects are simultaneously important. Also, the model may be extended to include viscous effects for spherical deformations as well. The later two extensions are not presented and may be the subject of further work.
Large-scale, high-throughput production of nano-structured materials (i.e. nanomanufacturing) is a strategic area in manufacturing, with markets projected to exceed $1T by 2015. Nanomanufacturing is still in its infancy; process/product developments are costly and only touch on potential opportunities enabled by growing nanoscience discoveries. The greatest promise for high-volume manufacturing lies in age-old coating and imprinting operations. For materials with tailored nm-scale structure, imprinting/embossing must be achieved at high speeds (roll-to-roll) and/or over large areas (batch operation) with feature sizes less than 100 nm. Dispersion coatings with nanoparticles can also tailor structure through self- or directed-assembly. Layering films structured with these processes have tremendous potential for efficient manufacturing of microelectronics, photovoltaics and other topical nano-structured devices. This project is designed to perform the requisite R and D to bring Sandia's technology base in computational mechanics to bear on this scale-up problem. Project focus is enforced by addressing a promising imprinting process currently being commercialized.
The predictions of binary collision approximation (BCA) and molecular dynamics (MD) simulations of displacement cascades in GaAs are compared. There are three issues addressed in this work. The first is the optimal choice of the effective displacement threshold to use in the BCA calculations to obtain the best agreement with MD results. Second, the spatial correlations of point defects are compared. This is related to the level of clustering that occurs for different types of radiation. Finally, the size and structure of amorphous zones seen in the MD simulations is summarized. BCA simulations are not able to predict the formation of amorphous material.
The advancement of materials technology towards the development of novel 3D nanostructures for energy applications has been a long-standing challenge. The purpose of this project was to explore photolithographically defineable pyrolyzed photoresist carbon films for possible energy applications. The key attributes that we explored were as follows: (1) Photo-interferometric fabrication methods to produce highly porous (meso, micro, and nano) 3-D electrode structures, and (2) conducting polymer and nanoparticle-modification strategies on these structures to provide enhanced catalytic capabilities and increase conductivity. The resulting electrodes were then explored for specific applications towards possible use in battery and energy platforms.
This report summarizes research performed for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Subcontinuum and Upscaling Task. The work conducted focused on developing a roadmap to include molecular scale, mechanistic information in continuum-scale models of nuclear waste glass dissolution. This information is derived from molecular-scale modeling efforts that are validated through comparison with experimental data. In addition to developing a master plan to incorporate a subcontinuum mechanistic understanding of glass dissolution into continuum models, methods were developed to generate constitutive dissolution rate expressions from quantum calculations, force field models were selected to generate multicomponent glass structures and gel layers, classical molecular modeling was used to study diffusion through nanopores analogous to those in the interfacial gel layer, and a micro-continuum model (K{mu}C) was developed to study coupled diffusion and reaction at the glass-gel-solution interface.
This report describes the status of research being performed under CRADA No. SC10/01771.00 (Lead/Carbon Functionality in VRLA Batteries) between Sandia National Laboratories and East Penn Manufacturing, conducted for the U.S. Department of Energy's Energy Storage Systems Program. The Quarter 4 Milestone was completed on time. The milestone entails the initiation of high rate, partial state of charge (HRPSoC) cycling of the carbon enhanced batteries. The morphology, porosity, and porosity distribution within the plates after 1k and 10k cycles were documented, illustrating the changes which take place in the early life of the carbon containing batteries, and as the battery approaches failure due to hard sulfation for the control battery. Longer term cycling on a subset of the received East Penn cells containing different carbons (and a control) continues, and will progress into FY12. Carbon has been explored as an addition to lead-acid battery electrodes in a number of ways. Perhaps the most notable to date has been the hybrid 'Ultrabattery' developed by CSIRO where an asymmetric carbon-based electrochemical capacitor is combined with a lead-acid battery into a single cell, dramatically improving high-rate partial-state-of-charge (HRPSoC) operation. As illustrated below, the 'Ultrabattery' is a hybrid device constructed using a traditional lead-acid battery positive plate (i.e., PbO2) and a negative electrode consisting of a carbon electrode in parallel with a lead-acid negative plate. This device exhibits a dramatically improved cycle life over traditional VRLA batteries, as well as increased charge power and charge acceptance. The 'Ultrabattery' has been produced successfully by both The Furukawa Battery Co. and East Penn Manufacturing. An example illustrating the dramatic improvement in cycle life of the Ultrabattery over a conventional VRLA battery is shown in a graph. In addition to the aforementioned hybrid device, carbon has also been added directly to traditional VRLA batteries as an admixture in both the positive and negative plates, the latter of which has been found to result in similar improvements to battery performance under high-rate partial-state-of-charge (HRPSoC) operation. It is this latter construction, where carbon is added directly to the negative active material (NAM) that is the specific incarnation being evaluated through this program. Thus, the carbon-modified (or Pb-C) battery (termed the 'Advanced' VRLA battery by East Penn Manufacturing) is a traditional VRLA battery where an additional component has been added to the negative electrode during production of the negative plate. The addition of select carbon materials to the NAM of VRLA batteries has been demonstrated to increase cycle life by an order of magnitude or more under (HRPSoC) operation. Additionally, battery capacity increases on cycling and, in fact, exceeds the performance of the batteries when new.
The Ground-Based Monitoring R&E Component Evaluation project performs testing on the hardware components that make up Seismic and Infrasound monitoring systems. The majority of the testing is focused on the Digital Waveform Recorder (DWR), Seismic Sensor, and Infrasound Sensor. In order to guarantee consistency, traceability, and visibility into the results of the testing process, it is necessary to document the test and analysis procedures that are in place. Other reports document the testing procedures that are in place (Kromer, 2007). This document serves to provide a comprehensive overview of the analysis and the algorithms that are applied to the Component Evaluation testing. A brief summary of each test is included to provide the context for the analysis that is to be performed.
This report summarizes research conducted through the Sandia National Laboratories Robust Automated Knowledge Capture Laboratory Directed Research and Development project. The objective of this project was to advance scientific understanding of the influence of individual cognitive attributes on decision making. The project has developed a quantitative model known as RumRunner that has proven effective in predicting the propensity of an individual to shift strategies on the basis of task and experience related parameters. Three separate studies are described which have validated the basic RumRunner model. This work provides a basis for better understanding human decision making in high consequent national security applications, and in particular, the individual characteristics that underlie adaptive thinking.
The goal of this LDRD project is to develop a rapid first-order experimental procedure for the testing of advanced cladding materials that may be considered for generation IV nuclear reactors. In order to investigate this, a technique was developed to expose the coupons of potential materials to high displacement damage at elevated temperatures to simulate the neutron environment expected in Generation IV reactors. This was completed through a high temperature high-energy heavy-ion implantation. The mechanical properties of the ion irradiated region were tested by either micropillar compression or nanoindentation to determine the local properties, as a function of the implantation dose and exposure temperature. In order to directly compare the microstructural evolution and property degradation from the accelerated testing and classical neutron testing, 316L, 409, and 420 stainless steels were tested. In addition, two sets of diffusion couples from 316L and HT9 stainless steels with various refractory metals. This study has shown that if the ion irradiation size scale is taken into consideration when developing and analyzing the mechanical property data, significant insight into the structural properties of the potential cladding materials can be gained in about a week.
The 1.2-MW La Ola photovoltaic (PV) power plant in Lanai, Hawaii, has been in operation since December 2009. The host system is a small island microgrid with peak load of 5 MW. Simulations conducted as part of the interconnection study concluded that unmitigated PV output ramps had the potential to negatively affect system frequency. Based on that study, the PV system was initially allowed to operate with output power limited to 50% of nameplate to reduce the potential for frequency instability due to PV variability. Based on the analysis of historical voltage, frequency, and power output data at 50% output level, the PV system has not significantly affected grid performance. However, it should be noted that the impact of PV variability on active and reactive power output of the nearby diesel generators was not evaluated. In summer 2011, an energy storage system was installed to counteract high ramp rates and allow the PV system to operate at rated output. The energy storage system was not fully operational at the time this report was written; therefore, analysis results do not address system performance with the battery system in place.
This presentation discusses the recent Sandia critical experiments, specifically the Seven Percent Critical Experiment (7uPCX) which is a Nuclear Energy Research Initiative (NERI) project. It also discusses why 7uPCX was used, how 7uPCX is operated and presents some 7uPCX results. The presentation concludes by discussing future plans for the critical experiments.
This presentation on critical experiment training at sandia national laboratories includes an overview of four different experiments that are analyzed in depth. Additionally, a description of the experiment process is provided in each section.
In this paper, a review of work centered on the utilization of multi-dimensional optical diagnostics to study phenomena arising in radiofrequency plasma discharges is given. The diagnostics range from passive techniques such as optical emission to more active techniques utilizing nanosecond lasers capable of both high temporal and spatial resolution. In this review, emphasis is placed on observations that would have been more difficult, if not impossible, to make without the use of such diagnostic techniques. Examples include the sheath structure around an electrode consisting of two different metals, double layers that arise in magnetized hydrogen discharges, or a large region of depleted argon 1s4 levels around a biased probe in an rf discharge.
As the national focus on cyber security increases, there is an evolving need for a capability to provide for high-speed sensing of events, correlation of events, and decision-making based on the adverse events seen across multiple independent large-scale network environments. The purpose of this Shared Vision project, Cyber Security Indications and Warning System, was to combine both Sandia's and LMC's expertise to discover new solutions to the challenge of protecting our nation's infrastructure assets. The objectives and scope of the proposal was limited to algorithm and High Performance Computing (HPC) model assessment in the unclassified environment within funding and schedule constraints. The interest is the identification, scalability assessment, and applicability of current utilized cyber security algorithms as applied in an HPC environment.
Decisions on material selections for electronics packaging can be quite complicated by the need to balance the criteria to withstand severe impacts yet survive deep thermal cycles intact. Many times, material choices are based on historical precedence perhaps ignorant of whether those initial choices were carefully investigated or whether the requirements on the new component match those of previous units. The goal of this program focuses on developing both increased intuition for generic packaging guidelines and computational methodologies for optimizing packaging in specific components. Initial efforts centered on characterization of classes of materials common to packaging strategies and computational analyses of stresses generated during thermal cycling to identify strengths and weaknesses of various material choices. Future studies will analyze the same example problems incorporating the effects of curing stresses as needed and analyzing dynamic loadings to compare trends with the quasi-static conclusions.
This report is a preliminary assessment of the ignition and explosion potential in a depleted hydrocarbon reservoir from air cycling associated with compressed air energy storage (CAES) in geologic media. The study identifies issues associated with this phenomenon as well as possible mitigating measures that should be considered. Compressed air energy storage (CAES) in geologic media has been proposed to help supplement renewable energy sources (e.g., wind and solar) by providing a means to store energy when excess energy is available, and to provide an energy source during non-productive or low productivity renewable energy time periods. Presently, salt caverns represent the only proven underground storage used for CAES. Depleted natural gas reservoirs represent another potential underground storage vessel for CAES because they have demonstrated their container function and may have the requisite porosity and permeability; however reservoirs have yet to be demonstrated as a functional/operational storage media for compressed air. Specifically, air introduced into a depleted natural gas reservoir presents a situation where an ignition and explosion potential may exist. This report presents the results of an initial study identifying issues associated with this phenomena as well as possible mitigating measures that should be considered.
The below overview is designed to give the reader a limited understanding of Bayesian and Maximum Likelihood (MLE) estimation; a basic understanding of some of the mathematical tools to evaluate the quality of an estimation; an introduction to energy methods and a limited discussion of damage potential. This discussion then goes on to presented a limited presentation as to how energy methods and Bayesian estimation are used together to qualify components. Example problems with solutions have been supplied as a learning aid. Bold letters are used to represent random variables. Un-bolded letter represent deterministic values. A concluding section presents a discussion of attributes and concerns.
This report describes the status of research being performed under CRADA No. SC10/01771.00 (Lead/Carbon Functionality in VRLA Batteries) between Sandia National Laboratories and East Penn Manufacturing, conducted for the U.S. Department of Energy's Energy Storage Systems Program. The Quarter 3 Milestone was completed on time. The milestone entails an ex situ analysis of a control as well as three carbon-containing negative plates in the raw, as cast form as well as after formation. The morphology, porosity, and porosity distribution within each plate was evaluated. In addition, baseline electrochemical measurements were performed on each battery to establish their initial performance. These measurements included capacity, internal resistance, and float current. The results obtained for the electrochemical testing were in agreement with previous evaluations performed at East Penn manufacturing. Cycling on a subset of the received East Penn cells containing different carbons (and a control) has been initiated.
Multilayer coextrusion has become a popular commercial process for producing complex polymeric products from soda bottles to reflective coatings. A numerical model of a multilayer coextrusion process is developed based on a finite element discretization and two different free-surface methods, an arbitrary-Lagrangian-Eulerian (ALE) moving mesh implementation and an Eulerian level set method, to understand the moving boundary problem associated with the polymer-polymer interface. The goal of this work is to have a numerical capability suitable for optimizing and troubleshooting the coextrusion process, circumventing flow instabilities such as ribbing and barring, and reducing variability in layer thickness. Though these instabilities can be both viscous and elastic in nature, for this work a generalized Newtonian description of the fluid is used. Models of varying degrees of complexity are investigated including stability analysis and direct three-dimensional finite element free surface approaches. The results of this work show how critical modeling can be to reduce build test cycles, improve material choices, and guide mold design.
An antenna is considered to be placement-immune when the antenna operates effectively regardless of where it is placed. By building antennas on magnetic conductor materials, the radiated fields will be positively reinforced in the desired radiation direction instead of being negatively affected by the environment. Although this idea has been discussed thoroughly in theoretical research, the difficulty in building thin magnetic conductor materials necessary for in-phase field reflections prevents this technology from becoming more widespread. This project's purpose is to build and measure an electrically-small antenna on a new type of non-metallic, thin magnetic conductor. This problem has not been previously addressed because non-metallic, thin magnetic conductor materials have not yet been discovered. This work proposed the creation of an artificial magnetic conductor (AMC) with in-phase field reflections without using internal electric conductors, the placement of an electrically-small antenna on this magnetic conductor, and the development of a transmit-receive system that utilizes the substrate and electrically-small antenna. By not using internal electric conductors to create the AMC, the substrate thickness can be minimized. The electrically-small antenna will demonstrate the substrate's ability to make an antenna placement immune, and the transmit-receive system combines both the antenna and the substrate while adding a third layer of system complexity to demonstrate the complete idea.
The U.S. Department of Energy (DOE) has an interest in large scale hydrogen geostorage, which could offer substantial buffer capacity to meet possible disruptions in supply or changing seasonal demands. The geostorage site options being considered are salt caverns, depleted oil/gas reservoirs, aquifers and hard rock caverns. The DOE has an interest in assessing the geological, geomechanical and economic viability for these types of geologic hydrogen storage options. This study has developed an economic analysis methodology and subsequent spreadsheet analysis to address costs entailed in developing and operating an underground geologic storage facility. This year the tool was updated specifically to (1) incorporate more site-specific model input assumptions for the wells and storage site modules, (2) develop a version that matches the general format of the HDSAM model developed and maintained by Argonne National Laboratory, and (3) incorporate specific demand scenarios illustrating the model's capability. Four general types of underground storage were analyzed: salt caverns, depleted oil/gas reservoirs, aquifers, and hard rock caverns/other custom sites. Due to the substantial lessons learned from the geological storage of natural gas already employed, these options present a potentially sizable storage option. Understanding and including these various geologic storage types in the analysis physical and economic framework will help identify what geologic option would be best suited for the storage of hydrogen. It is important to note, however, that existing natural gas options may not translate to a hydrogen system where substantial engineering obstacles may be encountered. There are only three locations worldwide that currently store hydrogen underground and they are all in salt caverns. Two locations are in the U.S. (Texas), and are managed by ConocoPhillips and Praxair (Leighty, 2007). The third is in Teeside, U.K., managed by Sabic Petrochemicals (Crotogino et al., 2008; Panfilov et al., 2006). These existing H{sub 2} facilities are quite small by natural gas storage standards. The second stage of the analysis involved providing ANL with estimated geostorage costs of hydrogen within salt caverns for various market penetrations for four representative cities (Houston, Detroit, Pittsburgh and Los Angeles). Using these demand levels, the scale and cost of hydrogen storage necessary to meet 10%, 25% and 100% of vehicle summer demands was calculated.
Repository performance confirmation links the technical bases of repository science and societal acceptance. This paper explores the myriad aspects of what has been labeled performance confirmation in U.S. programs, which involves monitoring as a collection of distinct activities combining technical and social significance in radioactive waste management. This paper is divided into four parts: (1) A distinction is drawn between performance confirmation monitoring and other testing and monitoring objectives; (2) A case study illustrates confirmation activities integrated within a long-term testing and monitoring strategy for Yucca Mountain; (3) A case study reviews compliance monitoring developed and implemented for the Waste Isolation Pilot Plant; and (4) An approach for developing, evaluating and implementing the next generation of performance confirmation monitoring is presented. International interest in repository monitoring is exhibited by the European Commission Seventh Framework Programme 'Monitoring Developments for Safe Repository Operation and Staged Closure' (MoDeRn) Project. The MoDeRn partners are considering the role of monitoring in a phased approach to the geological disposal of radioactive waste. As repository plans advance in different countries, the need to consider monitoring strategies within a controlled framework has become more apparent. The MoDeRn project pulls together technical and societal experts to assimilate a common understanding of a process that could be followed to develop a monitoring program. A fundamental consideration is the differentiation of confirmation monitoring from the many other testing and monitoring activities. Recently, the license application for Yucca Mountain provided a case study including a technical process for meeting regulatory requirements to confirm repository performance as well as considerations related to the preservation of retrievability. The performance confirmation plan developed as part of the Yucca Mountain license application identified a broad suite of monitoring activities. A revision of the plan was expected to winnow the number of activities down to a manageable size. As a result, an objective process for the next stage of performance confirmation planning was developed as an integral part of an overarching long-term testing and monitoring strategy. The Waste Isolation Pilot Plant compliance monitoring program at once reflects its importance to stakeholders while demonstrating adequate understanding of relevant monitoring parameters. The compliance criteria were stated by regulation and are currently monitored as part of the regulatory rule for disposal. At the outset, the screening practice and parameter selection were not predicated on a direct or indirect correlation to system performance metrics, as was the case for Yucca Mountain. Later on, correlation to performance was established, and the Waste Isolation Pilot Plant continues to monitor ten parameters originally identified in the compliance certification documentation. The monitoring program has proven to be effective for the technical intentions and societal or public assurance. The experience with performance confirmation in the license application process for Yucca Mountain helped identify an objective, quantitative methodology for this purpose. Revision of the existing plan would be based on findings of the total system performance assessment. Identification and prioritization of confirmation activities would then derive from performance metrics associated with performance assessment. Given the understanding of repository performance confirmation, as reviewed in this paper, it is evident that the performance confirmation program for the Yucca Mountain project could be readily re-engaged if licensing activities resumed.
This report provides documentation for the completion of the Sandia Level II milestone 'Develop feedback system for intelligent dynamic resource allocation to improve application performance'. This milestone demonstrates the use of a scalable data collection analysis and feedback system that enables insight into how an application is utilizing the hardware resources of a high performance computing (HPC) platform in a lightweight fashion. Further we demonstrate utilizing the same mechanisms used for transporting data for remote analysis and visualization to provide low latency run-time feedback to applications. The ultimate goal of this body of work is performance optimization in the face of the ever increasing size and complexity of HPC systems.