A new tool, called Mesh Scaling, for producing series of hexahedral meshes suitable for solution verification was enhanced and hardened by this milestone. In addition, solution verification using the meshes produced from Mesh Scaling was performed and documented. We conclude that Mesh Scaling now produces meshes suitable for solution verification, while offering a substantial decrease in the computational cost of solution verification.
The Method of Manufactured Solutions (MMS) is used to evaluate the Material Point Method (MPM) implemented in CTH, i.e. Markers. MMS is a verification approach in which a desired deformation field is prescribed and the required forcing function to achieve the prescribed deformation is determined analytically. The calculated forcing function is applied within CTH markers determine if the correct displacement field is recovered. For the cases examined in this study, a ring is subjected to a finite, angular-independent, spatially varying body force, superposed with a rigid-body rotation. This test will assess the solid mechanics response of the MPM within CTH for large deformation problems. This page intentionally left blank.
This project is part of the third solicitation of the California Solar Initiative (CSI3) Research, Development, Demonstration, and Deployment Program created by the California Public Utilities Commission (CPUC) in 2006 to support solar research in California. The program focuses on research to improve the utility application review and approval process for interconnecting distributed energy resources such as solar to the distribution system. The CSI3 program is supporting EPRI, National Renewable Energy Laboratory (NREL), and Sandia National Laboratories (SNL) in their collaboration on the process with Pacific Gas and Electric (PG&E), Southern California Edison (SCE), and San Diego Gas and Electric (SDG&E). At present, the application review and approval process is the most time-consuming of any step on the path to generating power for delivery through the distribution system.
A Verification and Validation (V&V) framework is presented for the development and execution of coordinated modeling and experimental program s to assess the predictive capability of computational models of complex systems through focused, well structured, and formal processes. The elements of the framework are based on established V&V methodology developed by various organizations including the Department of Energy, National Aeronautics and Space Administration, the American Institute of Aeronautics and Astronautics, and the American Society of Mechanical Engineers. Four main topics are addressed: 1) Program planning based on expert elicitation of the modeling physics requirements, 2) experimental design for model assessment, 3) uncertainty quantification for experimental observations and computational model simulations, and 4) assessment of the model predictive capability. The audience for this document includes program planners, modelers, experimentalist, V &V specialist, and customers of the modeling results.
Oxy-fuel combustion is a well-known approach to improve the heat transfer associated with stationary energy processes. Its overall penetration into industrial and power markets is constrained by the high cost of existing air separation technologies for generating oxygen. Cryogenic air separation is the most widely used technology for generating oxygen but is complex and expensive. Pressure swing adsorption is a competing technology that uses activated carbon, zeolites and polymer membranes for gas separations. However, it is expensive and limited to moderate purity O2 . MOFs are cutting edge materials for gas separations at ambient pressure and room temperature, potentially revolutionizing the PSA process and providing dramatic process efficiency improvements through oxy-fuel combustion. This LDRD combined (1) MOF synthesis, (2) gas sorption testing, (3) MD simulations and crystallography of gas siting in pores for structure-property relationship, (4) combustion testing and (5) technoeconomic analysis to aid in real-world implementation.
The three-dimensional finite element mesh capturing realistic geometries of Bayou Choctaw site has been constructed using the sonar and seismic survey data obtained from the field. The mesh is consisting of hexahedral elements because the salt constitutive model is coded using hexahedral elements. Various ideas and techniques to construct finite element mesh capturing artificially and naturally formed geometries are provided. The techniques to reduce the number of elements as much as possible to save on computer run time with maintaining the computational accuracy is also introduced. The steps and methodologies could be applied to construct the meshes of Big Hill, Bryan Mound, and West Hackberry strategic petroleum reserve sites. The methodology could be applied to the complicated shape masses for not only various civil and geological structures but also biological applications such as artificial limbs.
We investigate the use of sparse matrices and OpenMP multi-threading on linear algebra operations involving them. Several sparse matrix data structures are presented. Implementation of the multi- threading primarily occurs in the level one and two BLAS functions used within the four algorithms investigated{the Power Method, Conjugate Gradient, Biconjugate Gradient, and Jacobi's Method. The bene ts of launching threads once per high level algorithm are explored.
Large-scale reactive molecular dynamics (MD) simulations of shock compression in energetic materials provide new insight in to the microscopic mechanisms leading up to detonation.
To analyze and coordinate the operation of distribution systems with rapidly increasing amounts of PV, more accurate distribution system models are required, especially for the distribution system secondary (low-voltage) circuits down to the point of common coupling for distributed PV. There is a growing need for automated procedures to calibrate the distribution system secondary circuit models that are typically either not modeled at all or are modeled with a lower level of detail than the better modeled medium-voltage systems. This report presents an accurate, flexible, and computationally efficient method to use measurement data to estimate secondary circuit series impedance parameters in existing utility feeder models. The parameter estimation method assumes well-modeled primary circuit models, known secondary circuit topologies, and AMI active power, and reactive power measurements at all the loads in the secondary circuit. The method also requires AMI voltage measurement at most of the loads in the secondary circuit but can handle loads that do not have voltage measurements. No existing secondary circuit model information is needed, except for topology. The method is based on the well-known linearized voltage drop approximation and linear regression. The performance of the method is demonstrated on a three-phase test circuit with ten different secondary circuit topologies and on the Georgia Tech campus distribution system with AMI data. The developed method can be utilized to improve existing utility feeder models for more accurate analysis and operation with ubiquitous distributed PV interconnected on the low-voltage circuits.
A cooperative research and development agreement was made between Linde, LLC and Sandia to develop a plan for modifying the Turbulent Combustion Laboratory (TCL) with the necessary infrastructure to produce a cold (near liquid temperature) hydrogen jet. A three-stage heat exchanger will be used to cool gaseous hydrogen using liquid nitrogen, gaseous helium, and liquid helium. A cryogenic line from the heat exchanger into the lab will allow high-fidelity diagnostics already in place in the lab to be applied to cold hydrogen jets. Data from these experiments will be used to develop and validate models that inform codes and standards which specify protection criteria for unintended releases from liquid hydrogen storage, transport, and delivery infrastructure.
We developed new detector technologies to identify the presence of radioactive materials for nuclear forensics applications. First, we investigated an optical radiation detection technique based on imaging nitrogen fluorescence excited by ionizing radiation. We demonstrated optical detection in air under indoor and outdoor conditions for alpha particles and gamma radiation at distances up to 75 meters. We also contributed to the development of next generation systems and concepts that could enable remote detection at distances greater than 1 km, and originated a concept that could enable daytime operation of the technique. A second area of research was the development of room-temperature graphene-based sensors for radiation detection and measurement. In this project, we observed tunable optical and charged particle detection, and developed improved devices. With further development, the advancements described in this report could enable new capabilities for nuclear forensics applications.
Scientific impact: The project supports the investigation of energetic materials. This work is providing fundamental insight into initiation mechanisms in energetic materials.
The US Department of Energy (DOE) Nuclear Energy Research Initiative funded the design and construction of the Seven Percent Critical Experiment (7uPCX) at Sandia National Laboratories. The start-up of the experiment facility and the execution of the experiments described here were funded by the DOE Nuclear Criticality Safety Program. The 7uPCX is designed to investigate critical systems with fuel for light water reactors in the enrichment range above 5% 235U. The 7uPCX assembly is a water-moderated and -reflected array of aluminum-clad square-pitched U(6.90%)O2 fuel rods.
The final portion of this project was accomplished at Sandia National Labs, Livermore, with the overall goal being to optimize lithium-air cells with an ionic liquid electrolyte. Both of these are potential future routes for lithium-ion technology. Lithiumair presents the advantage of higher gravimetric energy density, and ionic liquids present the advantage of greater hydrophobicity and much lower volatility, along with a larger window of electrochemical stability. Ionic liquids however have several drawbacks for the battery industry. Currently they are not as cost effective as many organic solvents. Additionally, because of the added viscosity of ionic interactions compared to the typical dipole interactions of a solvent, the ionic conductivity is lower than for common organic solvents.
We studied dynamic ramp waves using molecular dynamics to understand the effects of strain rate and nanograin structure on material response and strength.
Agelastos, Anthony M.; Allan, Benjamin A.; Brandt, James M.; Gentile, Ann C.; Lefantzi, Sophia; Monk, Stephen T.; Ogden, Jeffrey B.; Rajan, Mahesh; Stevenson, Joel O.
Sandia National Laboratories (SNL) conducted an evaluation of total system performance assessment (TSPA) related computing systems for the previously considered Yucca Mountain Project (YMP). This was done to maintain the operational readiness of the computing infrastructure (computer hardware and software) and knowledge capability for total system performance assessment (TSPA) type analysis, as directed by the National Nuclear Security Administration (NNSA), DOE 2010. This work is a continuation of the ongoing readiness evaluation reported in Lee and Hadgu (2014). The current work examined main components of the computing system identified in the previous work (Lee and Hadgu, 2014) to ensure the operational readiness of the TSPA-LA model capability on the server cluster. The TSPA computing hardware and storage system were replaced in late 2014 to maintain core capability and improve computation efficiency. One floating license of GoldSim Version 9.60.300 was installed on the upgraded cluster head node, and its distributed processing capability was mapped on the cluster processors. Other supporting software was tested and installed to support the TSPA-type analysis on the server cluster. All the TSPA-LA modeling cases were tested and verified for the model reproducibility on the upgraded 2014 server cluster (CL2014). All test runs were executed on multiple processors on the server cluster utilizing the GoldSim distributed processing capability, and all runs completed successfully. The model reproducibility verification was evaluated by two approaches: numerical value comparison and graphical comparison. The analysis demonstrated an excellent reproducibility of the TSPA-LA model runs on the upgraded server cluster. The 2014 server cluster and supporting software systems are fully operational to support TSPA- LA type analysis.
The performance of commercial nuclear spent fuel dry storage casks are typically evaluated through detailed numerical analysis of the system's thermal performance. These modeling efforts are performed by the vendor to demonstrate the performance and regulatory compliance and are independently verified by the Nuclear Regulatory Commission (NRC). Carefully measured data sets generated from testing of full sized casks or smaller cask analogs are widely recognized as vital for validating these models. Numerous studies have been previously conducted. Recent advances in dry storage cask designs have moved the storage location from above ground to below ground and significantly increased the maximum thermal load allowed in a cask in part by increasing the canister helium pressure. Previous cask performance validation testing did not capture these parameters. The purpose of the investigation described in this report is to produce a data set that can be used to test the validity of the assumptions associated with the calculations presently used to determine steady-state cladding temperatures in modern dry casks. These modern cask designs utilize elevated helium pressure in the sealed canister or are intended for subsurface storage. The BWR cask simulator (BCS) has been designed in detail for both the above ground and below ground venting configurations. The pressure vessel representing the canister has been designed, fabricated, and pressure tested for a maximum allowable pressure (MAWP) rating of 24 bar at 400 C. An existing electrically heated but otherwise prototypic BWR Incoloy-clad test assembly is being deployed inside of a representative storage basket and cylindrical pressure vessel that represents the canister. The symmetric single assembly geometry with well-controlled boundary conditions simplifies interpretation of results. Various configurations of outer concentric ducting will be used to mimic conditions for above and below ground storage configurations of vertical, dry cask systems with canisters. Radial and axial temperature profiles will be measured for a wide range of decay power and helium cask pressures. Of particular interest is the evaluation of the effect of increased helium pressure on heat load and the effect of simulated wind on a simplified below ground vent configuration.
The development of an electrodeposition process for cobalt/iron (CoFe) alloys with minimal oxygen concentration and controlled stoichiometry is necessary for the advancement of magnetostrictive device functionalities. CoFe alloy films were electrodeposited out of a novel chemistry onto copper test structures enabling magnetic displacement testing for magnetostriction calculations. Using a combination of additives that served as oxygen scavengers, grain refiners, and complexing agents in conjunction with a pulsed plating technique, CoFe films were synthesized at thicknesses as high as 10μm with less than 8 at% oxygen at a stoichiometry of 70-75% Co and 25-30% Fe. X-Ray diffraction (XRD) analysis confirmed that these films had a crystal structure consistent with 70% Co 30% Fe Wairuaite with a slight lattice contraction due to Co doping in the film. A novel characterization technique was used to measure the displacement of the CoFe films electrodeposited, as a function of applied magnetic bias, in order to determine the saturation magnetostriction (λS) of the material. With this chemistry and a tailored pulse plating regime, λS values as high as 172 ± 25ppm have been achieved. This is believed by the authors to be the highest reported value of magnetostriction for an electrodeposited CoFe film.
In order to better incorporate microstructures in continuum scale models, we use a novel finite element (FE) meshing technique to generate three-dimensional polycrystalline aggregates from a phase field grain growth model of grain microstructures. The proposed meshing technique creates hexahedral FE meshes that capture smooth interfaces between adjacent grains. Three dimensional realizations of grain microstructures from the phase field model are used in crystal plasticity-finite element (CP-FE) simulations of polycrystalline a -iron. We show that the interface conformal meshes significantly reduce artificial stress localizations in voxelated meshes that exhibit the so-called "wedding cake" interfaces. This framework provides a direct link between two mesoscale models - phase field and crystal plasticity - and for the first time allows mechanics simulations of polycrystalline materials using three-dimensional hexahedral finite element meshes with realistic topological features.
For the FY15 ASC L2 Trilab Codesign milestone Sandia National Laboratories performed two main studies. The first study investigated three topics (performance, cross-platform portability and programmer productivity) when using OpenMP directives and the RAJA and Kokkos programming models available from LLNL and SNL respectively. The focus of this first study was the LULESH mini-application developed and maintained by LLNL. In the coming sections of the report the reader will find performance comparisons (and a demonstration of portability) for a variety of mini-application implementations produced during this study with varying levels of optimization. Of note is that the implementations utilized including optimizations across a number of programming models to help ensure claims that Kokkos can provide native-class application performance are valid. The second study performed during FY15 is a performance assessment of the MiniAero mini-application developed by Sandia. This mini-application was developed by the SIERRA Thermal-Fluid team at Sandia for the purposes of learning the Kokkos programming model and so is available in only a single implementation. For this report we studied its performance and scaling on a number of machines with the intent of providing insight into potential performance issues that may be experienced when similar algorithms are deployed on the forthcoming Trinity ASC ATS platform.
3D printing originally known as additive manufacturing is a process of making 3 dimensional solid objects from a CAD file. This ground breaking technology is widely used for industrial and biomedical purposes such as building objects, tools, body parts and cosmetics. An important benefit of 3D printing is the cost reduction and manufacturing flexibility; complex parts are built at the fraction of the price. However, layer by layer printing of complex shapes adds error due to the surface roughness. Any such error results in poor quality products with inaccurate dimensions. The main purpose of this research is to measure the amount of printing errors for parts with different geometric shapes and to analyze them for finding optimal printing settings to minimize the error. We use a Design of Experiments framework, and focus on studying parts with cone and ellipsoid shapes. We found that the orientation and the shape of geometric shapes have significant effect on the printing error. From our analysis, we also determined the optimal orientation that gives the least printing error.
This document describes the PANTHER R&D Application, a proof-of-concept user interface application developed under the PANTHER Grand Challenge LDRD. The purpose of the application is to explore interaction models for graph analytics, drive algorithmic improvements from an end-user point of view, and support demonstration of PANTHER technologies to potential customers. The R&D Application implements a graph-centric interaction model that exposes analysts to the algorithms contained within the GeoGraphy graph analytics library. Users define geospatial-temporal semantic graph queries by constructing search templates based on nodes, edges, and the constraints among them. Users then analyze the results of the queries using both geo-spatial and temporal visualizations. Development of this application has made user experience an explicit driver for project and algorithmic level decisions that will affect how analysts one day make use of PANTHER technologies.
Light body armor development for the warfighter is based on trial-and-error testing of prototype designs against ballistic projectiles. Torso armor testing against blast is virtually nonexistent but necessary to ensure adequate protection against injury to the heart and lungs. In this report, we discuss the development of a high-fidelity human torso model, it's merging with the existing Sandia Human Head-Neck Model, and development of the modeling & simulation (M&S) capabilities necessary to simulate wound injury scenarios. Using the new Sandia Human Torso Model, we demonstrate the advantage of virtual simulation in the investigation of wound injury as it relates to the warfighter experience. We present the results of virtual simulations of blast loading and ballistic projectile impact to the tors o with and without notional protective armor. In this manner, we demonstrate the ad vantages of applying a modeling and simulation approach to the investigation of wound injury and relative merit assessments of protective body armor without the need for trial-and-error testing.