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At least 1,297 records · Page 72

Code Verification and Confidence-Building

This document described the current status of verification and confidence building activities for the four simulation codes used for groundwater flow and transport simulations in the NRAP project. This is meant to be a ‘living document’ which will evolve as the verification suites expand and the models are tested against new field and laboratory experiments. Documenting these activities will enable the simulation teams at different laboratories to share verification problems, to benchmark against other codes. It will also help stakeholders understand the testing process and to gain confidence in model results.

54 ENVIRONMENTAL SCIENCES↗

EMPIRE: A code for nuclear astrophysics

The nuclear reaction code EMPIRE is presented as a useful tool for nuclear astrophysics. EMPIRE combines a variety of the reaction models with a comprehensive library of input parameters providing a diversity of options for the user. With exclusion of the directsemidirect capture all reaction mechanisms relevant to the nuclear astrophysics energy range of interest are implemented in the code. Comparison to experimental data show consistent agreement for all relevant channels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Development of Eulerian Code Modeling for ICF Experiments

One of the most pressing unexplained phenomena standing in the way of ICF ignition is understanding mix and how it interacts with burn. Experiments were being designed and fielded as part of the Defect-Induced Mix Experiment (DIME) project to obtain data about the extent of material mix and how this mix influenced burn. Experiments on the Omega laser and National Ignition Facility (NIF) provided detailed data for comparison to the Eulerian code RAGE1. The Omega experiments were able to resolve the mix and provide “proof of principle” support for subsequent NIF experiments, which were fielded from July 2012 through June 2013. The Omega shots were fired at least once per year between 2009 and 2012. RAGE was not originally designed to model inertial confinement fusion (ICF) implosions. It still lacks lasers, so the code has been validated using an energy source. To test RAGE, the simulation output is compared to data and by means of postprocessing tools that were developed. Here, the various postprocessing tools are described with illustrative examples.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Task 6 - Subtask 1: PNNL Visit by JAEA Researchers to Evaluate the Feasibility of the FLESCOT Code for the Future JAEA Use for the Fukushima Surface Water Environmental Assessment

Four Japan Atomic Energy Agency (JAEA) researchers visited Pacific Northwest National Laboratory (PNNL) for seven working days and have evaluated the suitability and adaptability of FLESCOT to a JAEA’s supercomputer system to effectively simulate cesium behavior in dam reservoirs, river mouths, and coastal areas in Fukushima contaminated by the Fukushima Daiichi nuclear accident. PNNL showed the following to JAEA visitors during the seven-working day period: FLESCOT source code; User’s manual; FLESCOT description – Program structure – Algorism – Solver – Boundary condition handling – Data definition – Input and output methods – How to run. During the visit, JAEA had access to FLESCOT to run with an input data set to evaluate the capacity and feasibility of adapting it to a JAEA super computer with massive parallel processors. As a part of this evaluation, PNNL ran FLESCOT for sample cases of the contaminant migration simulation to further describe FLESCOT in action. JAEA and PNNL researchers also evaluated time spent for each subroutine of FLESCOT, and the JAEA researcher implemented some initial parallelization schemes to FLESCOT. Based on this code evaluation, JAEA and PNNL determined that FLESCOT is: applicable to Fukushima lakes/dam reservoirs, river mouth areas, and coastal water; and feasible to implement parallelization for the JAEA supercomputer. In addition, PNNL and JAEA researchers discussed molecular modeling approaches on cesium adsorption mechanisms to enhance the JAEA molecular modeling activities. PNNL and JAEA also discussed specific collaboration of molecular and computational modeling activities.

54 ENVIRONMENTAL SCIENCES↗

Final Report A Multi-Language Environment For Programmable Code Optimization and Empirical Tuning

This report summarizes our effort and results of building an integrated optimization environment to effectively combine the programmable control and the empirical tuning of source-to-source compiler optimizations within the framework of multiple existing languages, specifically C, C++, and Fortran. The environment contains two main components: the ROSE analysis engine, which is based on the ROSE C/C++/Fortran2003 source-to-source compiler developed by Co-PI Dr.Quinlan et. al at DOE/LLNL, and the POET transformation engine, which is based on an interpreted program transformation language developed by Dr. Yi at University of Texas at San Antonio (UTSA). The ROSE analysis engine performs advanced compiler analysis, identifies profitable code transformations, and then produces output in POET, a language designed to provide programmable control of compiler optimizations to application developers and to support the parameterization of architecture-sensitive optimizations so that their configurations can be empirically tuned later. This POET output can then be ported to different machines together with the user application, where a POET-based search engine empirically reconfigures the parameterized optimizations until satisfactory performance is found. Computational specialists can write POET scripts to directly control the optimization of their code. Application developers can interact with ROSE to obtain optimization feedback as well as provide domain-specific knowledge and high-level optimization strategies. The optimization environment is expected to support different levels of automation and programmer intervention, from fully-automated tuning to semi-automated development and to manual programmable control.

97 MATHEMATICS AND COMPUTING↗

Edge Equilibrium Code (EEC) For Tokamaks

The edge equilibrium code (EEC) described in this paper is developed for simulations of the near edge plasma using the finite element method. It solves the Grad-Shafranov equation in toroidal coordinate and uses adaptive grids aligned with magnetic field lines. Hermite finite elements are chosen for the numerical scheme. A fast Newton scheme which is the same as implemented in the equilibrium and stability code (ESC) is applied here to adjust the grids.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Inventory of Safety-related Codes and Standards for Energy Storage Systems with some Experiences related to Approval and Acceptance

The purpose of this document is to identify laws, rules, model codes, codes, standards, regulations, specifications (CSR) related to safety that could apply to stationary energy storage systems (ESS) and experiences to date securing approval of ESS in relation to CSR. This information is intended to assist in securing approval of ESS under current CSR and to identification of new CRS or revisions to existing CRS and necessary supporting research and documentation that can foster the deployment of safe ESS.

Conover, David R.↗

Structural Code Considerations for Solar Rooftop Installations

Residential rooftop solar panel installations are limited in part by the high cost of structural related code requirements for field installation. Permitting solar installations is difficult because there is a belief among residential permitting authorities that typical residential rooftops may be structurally inadequate to support the additional load associated with a photovoltaic (PV) solar installation. Typical engineering methods utilized to calculate stresses on a roof structure involve simplifying assumptions that render a complex non-linear structure to a basic determinate beam. This method of analysis neglects the composite action of the entire roof structure, yielding a conservative analysis based on a rafter or top chord of a truss. Consequently, the analysis can result in an overly conservative structural analysis. A literature review was conducted to gain a better understanding of the conservative nature of the regulations and codes governing residential construction and the associated structural system calculations.

Dwyer, Stephen F.↗

Summary Report for ASC L2 Milestone #4782: Assess Newly Emerging Programming and Memory Models for Advanced Architectures on Integrated Codes

This document serves as a detailed companion to the powerpoint slides presented as part of the ASC L2 milestone review for Integrated Codes milestone #4782 titled “Assess Newly Emerging Programming and Memory Models for Advanced Architectures on Integrated Codes”, due on 9/30/2014, and presented for formal program review on 9/12/2014. The program review committee is represented by Mike Zika (A Program Project Lead for Kull), Brian Pudliner (B Program Project Lead for Ares), Scott Futral (DEG Group Lead in LC), and Mike Glass (Sierra Project Lead at Sandia). This document, along with the presentation materials, and a letter of completion signed by the review committee will act as proof of completion for this milestone.

97 MATHEMATICS AND COMPUTING↗

Whisper Source Code Inspection Report

This report documents an inspection of the Whisper Fortran source code. As a result of this inspection, this report explains how (and confirms) the methodology was implemented in the source code. The following sections document the algorithms, data structures, and program structure in Whisper. When Whisper implements a specific equation in LA-UR-14-26558, a cross reference to the equation is made. Also, Appendix A provides a cross reference from the equations in LA-UR-14-26558 to the implementing subroutine or function.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

User Guide for the R5EXEC Coupling Interface in the RELAP5-3D Code

This report describes the R5EXEC coupling interface in the RELAP5-3D computer code from the users perspective. The information in the report is intended for users who want to couple RELAP5-3D to other thermal-hydraulic, neutron kinetics, or control system simulation codes.

97 MATHEMATICS AND COMPUTING↗

Modeling Proton- and Light Ion-Induced Reactions at Low Energies in the MARS15 Code

An implementation of both ALICE code and TENDL evaluated nuclear data library in order to describe nuclear reactions induced by low-energy projectiles in the Monte Carlo code MARS15 is presented. Comparisons between results of modeling and experimental data on reaction cross sections and secondary particle distributions are shown.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

ASME Code Considerations for the Compact Heat Exchanger

The mission of the U.S. Department of Energy (DOE), Office of Nuclear Energy is to advance nuclear power in order to meet the nation's energy, environmental, and energy security needs. Advanced high temperature reactor systems such as sodium fast reactors and high and very high temperature gas-cooled reactors are being considered for the next generation of nuclear reactor plant designs. The coolants for these high temperature reactor systems include liquid sodium and helium gas. Supercritical carbon dioxide (sCO₂), a fluid at a temperature and pressure above the supercritical point of CO₂, is currently being investigated by DOE as a working fluid for a nuclear or fossil-heated recompression closed Brayton cycle energy conversion system that operates at 550°C (1022°F) at 200 bar (2900 psi). Higher operating temperatures are envisioned in future developments. All of these design concepts require a highly effective heat exchanger that transfers heat from the nuclear or chemical reactor to the chemical process fluid or the to the power cycle. In the nuclear designs described above, heat is transferred from the primary to the secondary loop via an intermediate heat exchanger (IHX) and then from the intermediate loop to either a working process or a power cycle via a secondary heat exchanger (SHX). The IHX is a component in the primary coolant loop which will be classified as "safety related." The intermediate loop will likely be classified as "not safety related but important to safety." These safety classifications have a direct bearing on heat exchanger design approaches for the IHX and SHX. The very high temperatures being considered for the VHTR will require the use of very high temperature alloys for the IHX and SHX. Material cost considerations alone will dictate that the IHX and SHX be highly effective; that is, provide high heat transfer area in a small volume. This feature must be accompanied by low pressure drop and mechanical reliability and robustness. Classic shell and tube designs will be large and costly, and may only be appropriate in steam generator service in the SHX where boiling inside the tubes occurs. For other energy conversion systems, all of these features can be met in a compact heat exchanger design. This report will examine some of the ASME Code issues that will need to be addressed to allow use of a Code-qualified compact heat exchanger in IHX or SHX nuclear service. Most effort will focus on the IHX, since the safety-related (Class A) design rules are more extensive than those for important-to-safety (Class B) or commercial rules that are relevant to the SHX.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Lawrence Livermore National Laboratories Perspective on Code Development and High Performance Computing Resources in Support of the National HED/ICF Effort

Through its Advanced Scientific Computing (ASC) and Inertial Confinement Fusion (ICF) code development efforts, Lawrence Livermore National Laboratory (LLNL) provides a world leading numerical simulation capability for the National HED/ICF program in support of the Stockpile Stewardship Program (SSP). In addition the ASC effort provides high performance computing platform capabilities upon which these codes are run. LLNL remains committed to, and will work with, the national HED/ICF program community to help insure numerical simulation needs are met and to make those capabilities available, consistent with programmatic priorities and available resources.

42 ENGINEERING↗

GEOS Code Development Road Map

GEOS is a massively parallel computational framework designed to enable HPC-based simulations of subsurface reservoir stimulation activities with the goal of optimizing current operations and evaluating innovative stimulation methods. GEOS will enable coupling of different solvers associated with the various physical processes occurring during reservoir stimulation in unique and sophisticated ways, adapted to various geologic settings, materials and stimulation methods. The overall architecture of the framework includes consistent data structures and will allow incorporation of additional physical and materials models as demanded by future applications. Along with predicting the initiation, propagation and reactivation of fractures, GEOS will also generate a seismic source term that can be linked with seismic wave propagation codes to generate synthetic microseismicity at surface and downhole arrays. Similarly, the output from GEOS can be linked with existing fluid/thermal transport codes. GEOS can also be linked with existing, non-intrusive uncertainty quantification schemes to constrain uncertainty in its predictions and sensitivity to the various parameters describing the reservoir and stimulation operations. We anticipate that an implicit-explicit 3D version of GEOS, including a preliminary seismic source model, will be available for parametric testing and validation against experimental and field data by Oct. 1, 2013.

02 PETROLEUM↗

SolTrace: A Ray-Tracing Code for Complex Solar Optical Systems

SolTrace is an optical simulation tool designed to model optical systems used in concentrating solar power (CSP) applications. The code was first written in early 2003, but has seen significant modifications and changes since its inception, including conversion from a Pascal-based software development platform to C++. SolTrace is unique in that it can model virtually any optical system utilizingthe sun as the source. It has been made available for free and as such is in use worldwide by industry, universities, and research laboratories. The fundamental design of the code is discussed, including enhancements and improvements over the earlier version. Comparisons are made with other optical modeling tools, both non-commercial and commercial in nature. Finally, modeled results are shownfor some typical CSP systems and, in one case, compared to measured optical data.

14 SOLAR ENERGY↗

TOGA: A TOUGH code for modeling three-phase, multi-component, and non-isothermal processes involved in CO 2 -based Enhanced Oil Recovery

TOGA is a numerical reservoir simulator for modeling non-isothermal flow and transport of water, CO 2 , multicomponent oil, and related gas components for applications including CO 2 -enhanced oil recovery (CO 2 -EOR) and geologic carbon sequestration in depleted oil and gas reservoirs. TOGA uses an approach based on the Peng-Robinson equation of state (PR-EOS) to calculate the thermophysical properties of the gas and oil phases including the gas/oil components dissolved in the aqueous phase, and uses a mixing model to estimate the thermophysical properties of the aqueous phase. The phase behavior (e.g., occurrence and disappearance of the three phases, gas + oil + aqueous) and the partitioning of non-aqueous components (e.g., CO 2 , CH 4 , and n-oil components) between coexisting phases are modeled using K-values derived from assumptions of equal-fugacity that have been demonstrated to be very accurate as shown by comparison to measured data. Models for saturated (water) vapor pressure and water solubility (in the oil phase) are used to calculate the partitioning of the water (H 2 O) component between the gas and oil phases. All components (e.g., CO 2 , H 2 O, and n hydrocarbon components) are allowed to be present in all phases (aqueous, gaseous, and oil). TOGA uses a multiphase version of Darcy’s Law to model flow and transport through porous media of mixtures with up to three phases over a range of pressures and temperatures appropriate to hydrocarbon recovery and geologic carbon sequestration systems. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. New methods for phase partitioning and thermophysical property modeling in TOGA have been validated against experimental data published in the literature for describing phase partitioning and phase behavior. Flow and transport has been verified by testing against related TOUGH2 EOS modules and CMG. The code has also been validated against a CO 2 -EOR experimental core flood involving flow of three phases and 12 components. Results of simulations of a hypothetical 3D CO 2 -EOR problem involving three phases and multiple components are presented to demonstrate the field-scale capabilities of the new code. This user guide provides instructions for use and sample problems for verification and demonstration.

97 MATHEMATICS AND COMPUTING↗

Cloud Computing for Complex Performance Codes.

This report describes the use of cloud computing services for running complex public domain performance assessment problems. The work consisted of two phases: Phase 1 was to demonstrate complex codes, on several differently configured servers, could run and compute trivial small scale problems in a commercial cloud infrastructure. Phase 2 focused on proving non-trivial large scale problems could be computed in the commercial cloud environment. The cloud computing effort was successfully applied using codes of interest to the geohydrology and nuclear waste disposal modeling community.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗