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DOE OSTI2015

Water Governance Process Assessment: Evaluating the Link between Decision Making Processes and Outcomes in the Columbia River Basin

Academics and practitioners agree that in water governance, the quality of a decision making process should influence the quality of the outcome and the degree to which it is accepted by interested parties. However, finding a feasible way to evaluate and then improve the quality of a decision making process has proven elusive. Systematically collecting evidence of a link between process and outcome is also challenging. In my dissertation, I developed a synthesis framework for evaluating and improving water governance decision making to address these two challenges. The synthesis framework, which I call the Water Governance Process Assessment (Water GPA), draws upon 22 existing frameworks rooted in resilience, adaptive governance, and good governance. From these frameworks, I identified and provided a way to evaluate four characteristics critical to good water governance decision making processes: 1) accountability, 2) inclusivity, and 3) information, and 4) context. I applied the Water GPA framework to the recent reviews of the Columbia River Treaty by the United States and Canada. I collected data for the case studies through semi-structured interviews and surveys of process participants from the federal agencies, Tribal and First Nations, state/provincial governments, local governments, stakeholder interests, and citizens. I coded and analyzed the interviews using the qualitative analysis software QSR NVivo and the characteristics identified in the Water GPA framework. I used the two case study applications to demonstrate how to use the framework. I identified what aspects of the four process categories served as barriers and building blocks for good water governance in each water governance process. I also gleaned lessons learned and recommendations including some for determining process leadership, ensuring meaningful engagement and inclusivity, addressing sovereignty issues, setting decision criteria, sharing decision authority, allocating resources in future processes in the US and BC portions of the Columbia River Basin and similar basins. In my case studies, I also investigated which characteristics of the water governance decision making process influenced the direct outcomes of those processes (the decisions) as well as other non-target outcomes (such as trust, co-produced science, new coalitions, etc.). All four characteristics outlined in the Water Governance Process Assessment (Water GPA), played some role in the development of the content and/or support of the two case study decision documents (US Regional Recommendation and BC Provincial Decision). Generally, when the characteristic of the process was done well, it improved the legitimacy and acceptance of the decision. At the same time performing poorly in one area did not necessarily torpedo the process or decision. In both case studies, it appears that the interplay between the process characteristics (that is where two or more characteristics converge) had a greater influence over the decision. Further work is needed to clearly identify what characteristics of a process are most influential in different situations. The Water GPA is one useful tool for this effort.

13 HYDRO ENERGY↗

DOE OSTI2014

SU-C-18C-04: Evaluation of Effective Dose During Ureteroscopy for Obese and Non-Obese Patients

Purpose: Ureteroscopy involves fluoroscopy which potentially results in considerable amount of radiation dose to the patient. Purpose of this study was two-fold: (a) to develop the effective dose computational model for obese and non-obese patients undergoing left and right ureteroscopy, and (b) to evaluate the utility of a commercial Monte Carlo software for dose assessment in ureteroscopy. Methods: Organ dose measurements were performed on an adult male anthropomorphic phantom, representing the non-obese patients, with 20 high-sensitivity MOSFET detectors and two 0.18cc ionization chambers placed in selected organs. Fat-equivalent paddings were placed around the abdominal region to simulate for obese patients. Effective dose (ED) was calculated using ICRP 103 tissue weighting factors and normalized to the effective dose rate in miliSivert per second (mSv/s). In addition, a commercial Monte Carlo (MC) dose estimation program was used to estimate ED for the non-obese model, with table attenuation correction applied to simulate clinical procedure. Results: For the equipment and protocols involved in this study, the MOSFETderived ED rates for the obese patient model (‘Left’: 0.0092±0.0004 mSv/s; ‘Right’: 0.0086±0.0004 mSv/s) was found to be more than twice as much as that to the non-obese patient model (‘Left’: 0.0041±0.0003 mSv/s; ‘Right’: 0.0036±0.0007 mSv/s). The MC-derived ED rates for the non-obese patient model (‘Left’: 0.0041 mSv/s; ‘Right’: 0.0036 mSv/s; with statistical uncertainty of 1%) showed a good agreement with the MOSFET method. Conclusion: The significant difference in ED rate between the obese and non-obese patient models shows the limitation of directly applying commercial softwares for obese patients and leading to considerable underestimation of ED. Although commercial softwares offer a convenient means of dose estimation, but the utility may be limited to standard-man geometry as the software does not account for table attenuation, obese patient geometry, and differences between the anthropomorphic phantom and MC mathematical phantom.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2025

Enabling BWR fuel rod analysis in the BISON fuel performance code

Nuclear fuel vendors around the world are pursuing approaches to sustain the existing nuclear reactor fleet consisting primarily of pressurized-water reactors (PWRs) and boiling-water reactors (BWRs). To support the industry's efforts, advanced modeling and simulation tools need to be capable of analyzing both legacy reactor concepts. BWR fuel rods are significantly different than those used in PWRs, which can affect fuel performance analysis. BWR fuel rods include: (1) an extensive use of gadolinia dopant as a burnable absorber, (2) an axial variation in fuel enrichment and gadolinia content, (3) the inclusion of a liner on the inner cladding surface to mitigate the impact of pellet-clad mechanical interaction (which impacts hydrogen and hydride distribution), (4) a lower initial fill gas pressure, (5) bottom-entry control rods, and (6) a lower coolant pressure that results in the two-phase flow boiling phenomenon. Although the primary focus of BISON has been in the area of PWR and advanced reactor fuel analyses, this paper presents the developments in BISON to support BWR fuel performance analysis. An overview of the models that account for the effects of gadolinia is highlighted. Internal mesh generation capabilities to include a liner is presented. Normal operating and transient (reactivity insertion accident) demonstration problems are presented to illustrate the impact of gadolinia, the hydrogen and hydride evolution due to the presence of the liner, and BISON's ability to simulate axially varying enrichments and dopant concentration. Bottom-entry control effects are captured by the axial power peaking factors present in the demonstration cases. Comparisons to integral experiments from the Halden IFA-681 experiments are discussed as initial validation. Reasonable comparisons are obtained for fuel centerline temperature and rod internal pressure as a function of time. In conclusion, simulations of additional experiments containing Gd 2 O 3 -bearing fuel are necessary to completely validate the code for BWR applications.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2024

IRIS Reimagined: Advancements in Intelligent Runtime System for Task-Based Programming

Task-based programming models are gaining traction in scientific computing. IRIS is a portable runtime system that exploits multiple heterogeneous programming systems and can discover available resources and manage multiple diverse programming systems (e.g., CUDA, Hexagon, HIP, Level Zero, OpenCL, and OpenMP) simultaneously. It accounts for the constraints of task dependencies and provides customizable scheduling policies to map those tasks to heterogeneous devices. In this paper, we present new capabilities added to IRIS to improve its portability for heterogeneous programming, build-friendliness, and performance efficiency. The new additions include vendor-specific kernel support, a runtime system with a foreign function interface to eliminate writing wrapper or boilerplate code for heterogeneous kernels, an easy-to-use and configurable CMake-based build environment, automatic and efficient data transfers and orchestration, and the Hunter and DAGGER toolchains to evaluate IRIS’s task scheduling algorithms.

Miniskar, Narasinga Rao↗

DOE OSTI2014

Building Energy Efficiency in Rural China

Rural buildings in China now account for more than half of China’s total building energy use. Forty percent of the floorspace in China is in rural villages and towns. Most of these buildings are very energy inefficient, and may struggle to meet basic needs. They are cold in the winter, and often experience indoor air pollution from fuel use. The Chinese government plans to adopt a voluntary building energy code, or design standard, for rural homes. The goal is to build on China’s success with codes in urban areas to improve efficiency and comfort in rural homes. The Chinese government recognizes rural buildings represent a major opportunity for improving national building energy efficiency. The challenges of rural China are also greater than those of urban areas in many ways because of the limited local capacity and low income levels. The Chinese government wants to expand on new programs to subsidize energy efficiency improvements in rural homes to build capacity for larger-scale improvement. This article summarizes the trends and status of rural building energy use in China. It then provides an overview of the new rural building design standard, and describes options and issues to move forward with implementation.

China↗

DOE OSTI2018

The impact of incorporating shell-corrections to energy loss in silicon

Modern silicon tracking detectors based on hybrid or fully integrated CMOS technology are continuing to push to thinner sensors. The ionization energy loss fluctuations in very thin silicon sensors significantly deviates from the Landau distribution. Therefore, we have developed a charge deposition setup that implements the Bichsel straggling function, which accounts for shell-effects. This enhanced simulation is important for comparing with testbeam or collision data with thin sensors as demonstrated by reproducing more realistically the degraded position resolution compared with naïve ionization models based on simple Landau-like fluctuation. Our implementation of the Bichsel model agrees well with the multipurpose photo absorption ionization (PAI) model in Geant4 and is significantly faster. The code is made publicly available as part of the Allpix software package in order to facilitate predictions for new detector designs and comparisons with testbeam data.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Implementation of the D1S Methodology for Shutdown Dose Rate Calculations in the OpenMC Monte Carlo Particle Transport Code

We present an implementation of the direct one-step (D1S) methodology for shutdown dose rate (SDR) calculations in the OpenMC Monte Carlo particle transport code. In addition to being the first fully open-source D1S implementation, it is also the first to require no ad hoc source code or nuclear data library modifications. The code can seamlessly switch between production of prompt and decay photons based on a user input parameter, and the decay data needed for decay photon generation are made available through a depletion chain file, which is already used for OpenMC’s built-in depletion/activation solver. A set of Python functions significantly eases the burden of computing and applying time correction factors needed to properly account for the time dependence of radionuclide activity. To assess the accuracy of the D1S implementation, SDR calculations have been carried out for three problems: a prism of iron irradiated by 14-MeV neutrons, the ITER port plug computational benchmark, and the Frascati Neutron Generator (FNG) ITER dose rate benchmark problem from the Shielding INtegral Benchmark Archive and Database (SINBAD). For each of these problems, comparisons were made to calculations using the rigorous two-step (R2S) method. The results on the iron prism problem illustrate how the D1S method achieves superior spatial resolution compared to the R2S method without the need for spatial discretization of the activation regions. The D1S and R2S results for the ITER port plug benchmark agree well with previously reported results in the literature. While the D1S results are 10% to 15% lower than the R2S results, this may be due to stochastic uncertainty and/or spatial discretization in the R2S calculations. On the FNG dose rate benchmark problem, the D1S method produces dose rate estimates that are within 4% of the dose rates predicted using a cell-based R2S workflow. The D1S estimates of the SDR are also in reasonable agreement with the experimental measurements and show the same basic trends that have been observed in previous works. A qualitative analysis of the execution time and uncertainty for the R2S and D1S workflows suggests that the D1S method would attain a higher figure of merit.

D1S method↗

DOE OSTI2021

Map Applications to Target Exascale Architecture with Machine-Specific Performance Analysis, Including Challenges and Projections

This Exascale Computing Project (ECP) milestone report summarizes the status of all 30 ECP Applications Development (AD) subprojects at the end of FY20. In October and November of 2020, a comprehensive assessment of AD projects was conducted by the ECP leadership. Reviews occurred virtually between October 27, 2020 and November 12, 2020. The review committee—consisting of the AD lead, deputy, and L3—was tasked with evaluating each subproject’s progress in porting their codes to early exascale architectures considered precursors to the planned exascale machines. This includes characterizing which modules have been ported to multi-accelerator nodes, initial performance analyses, the status of software integration, and a current vision of successes, obstacles, and next steps. As such, this report contains not only an accurate snapshot of each subproject’s current status but also represents an unprecedentedly broad account of experiences in porting large scientific applications to next-generation high-performance computing architectures.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2023

Enhance BISON Metal Fuel Transient Models and Enable Assessment Based on Out-of-Pile Transient Experiments

In this report, the activities and achievements made by Argonne National Laboratory for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) BISON code metallic fuel validation and verification (V&V) project in FY2023, with a focus on the capability development and assessment case development for the out-of-pile transient experiments, are summarized. The liquid cladding penetration model was improved based on a comprehensive set of fuel behavior test apparatus (FBTA) test results. The new model was implemented into BISON along with a simple model to account for fuel melting effects. The metallic fuel meshing capability was also upgraded to allow local refinement using unstructured triangular mesh. Based on the previous success in developing the BISON-FIPD integration powered BISON assessment case, this database enabled BISON evaluation and V&V capability was expanded to the out-of-pile transient experiments by introducing BISON-OPTD integration. A series of initial out-of-pile transient assessment cases were implemented into BISON to provide powerful platforms to evaluate current BISON’s capabilities in simulating metallic fuel performance during out-of-pile transients. The established capabilities will also benefit the calibration and V&V of future advanced mechanistic models.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS1987

Transonic flow visualization using holographic interferometry

An account is made of some of the applications of holographic interferometry to the visualization of transonic flows. In the case of the compressor shock visualization, the method is used regularly and has moved from being a research department invention to a design test tool. With the implementation of automatic processing and simple digitization systems, holographic vibrational analysis has also moved into routine nondestructive testing. The code verification interferograms were instructive, but the main turbomachinery interest is now in 3 dimensional flows. A major data interpretation effort will be required to compute tomographically the 3 dimensional flow around the leading or the trailing edges of a rotating blade row. The bolt on approach shows the potential application to current unsteady flows of interest. In particular that of the rotor passing and vortex interaction effects is experienced by the new generation of unducted fans. The turbocharger tests presents a new area for the application of holography.

Bryanston-Cross, Peter J.↗

NASA NTRS1993

Computations of spray, fuel-air mixing, and combustion in a lean-premixed-prevaporized combustor

A code was developed for computing the multidimensional flow, spray, combustion, and pollutant formation inside gas turbine combustors. The code developed is based on a Lagrangian-Eulerian formulation and utilizes an implicit finite-volume method. The focus of this paper is on the spray part of the code (both formulation and algorithm), and a number of issues related to the computation of sprays and fuel-air mixing in a lean-premixed-prevaporized combustor. The issues addressed include: (1) how grid spacings affect the diffusion of evaporated fuel, and (2) how spurious modes can arise through modelling of the spray in the Lagrangian computations. An upwind interpolation scheme is proposed to account for some effects of grid spacing on the artificial diffusion of the evaporated fuel. Also, some guidelines are presented to minimize errors associated with the spurious modes.

Dasgupta, A.↗

NASA NTRS1996

The Acoustic Influence of Cell Depth on the Rotordynamic Characteristics of Smooth-Rotor/Honeycomb-Stator Annular Gas Seals

A two-control volume is employed for honeycomb-stator/smooth-rotor seals, with a conventional control-volume used for the through flow and a 'capacitance accumulator' model for the honeycomb cells. The control volume for the honeycomb cells is shown to cause a dramatic reduction in the effective acoustic velocity of the main flow, dropping the lowest acoustic frequency into the frequency range of interest for rotordynamics. In these circumstances, the impedance functions for the seals can not be modeled with conventional (frequency-independent) stiffness, damping, and mass coefficients. More general transfer functions are required to account for the reaction forces, and calculated here as a lead-lag term for the direct force function and a lag term for the cross-coupled function. These first order functions are simple compared to transfer functions for magnetic bearings or foundations, For synchronous response to imbalance, they can be approximated by running-speed-dependent stiffness and damping coefficients in conventional rotordynamic codes. Correct predictions for stability and transient response will require more general algorithms, pressumably using a state-space format.

Childs, Dara W.↗

NASA NTRS2006

Studying the MLT by a Combined Analysis of SABER/TIMED and Lidar Measurements

The SABER instrument on board the TIMED Satellite is a limb scanning infrared radiometer designed to measure temperature and minor constituent vertical profiles and energetics parameters in the mesosphere and lower thermosphere (MLT). The measurements have been performed continuously since January 25, 2002 to provide excellent coverage for both hemispheres. The Leibniz-Institute of Atmospheric Physics (LAP) at Kuehlungsborn, Germany (54N, 12E) operates two lidar instruments, using three different temperature measurement methods, optimized for three altitude ranges. The total altitude range of the lidar installation lies from 1 to 105 km. Another instrument used for intercomparison is the ALOMAR RMR lidar, located at Andoya, Norway (69N, 16E). We have searched the SABER and lidar datasets for coincidental common volume measurements within plus or minus 1 degree in latitude, plus or minus 2 degrees in longitude and approx. 1 hour in time for the sake of (a) comparison of measured temperatures; (b) validation of the models used in SABER data analysis; and (c) extracting new information about MLT parameters. In this work we applied the non-LTE ALI-ARMS code designed to calculate the nonequilibrium radiance in different viewing geometries to the analysis of measurements which satisfied these search criteria. The results of this analysis (a) support the application of higher value of CO2-O quenching rate (6e-12 cubic centimeters per second) by the non-LTE temperature retrievals from the SABER 15 micrometer limb radiance data, and (b) demonstrate the importance of accounting for the vibrational-vibrational energy exchange among the CO2 isotopes for accurate temperature retrievals. Using temperature profiles obtained in lidar measurements as inputs for the retrieval algorithm we also retrieved the nighttime CO2 densities from the SABER 15 micrometer limb radiances and compared them with the model and climatology CO2 data used in the SABER nighttime temperature retrievals.

Feofilov, A. G.↗

NASA NTRS2009

3D Visualization of Monte-Carlo Simulation's of HZE Track Structure and Initial Chemical Species

Heavy ions biophysics is important for space radiation risk assessment [1] and hadron-therapy [2]. The characteristic of heavy ions tracks include a very high energy deposition region close to the track (<20 nm) denoted as the track core, and an outer penumbra region consisting of individual secondary electrons (6-rays). A still open question is the radiobiological effects of 6- rays relative to the track core. Of importance is the induction of double-strand breaks (DSB) [3] and oxidative damage to the biomolecules and the tissue matrix, considered the most important lesions for acute and long term effects of radiation. In this work, we have simulated a 56Fe26+ ion track of 1 GeV/amu with our Monte-Carlo code RITRACKS [4]. The simulation results have been used to calculate the energy depiction and initial chemical species in a "voxelized" space, which is then visualized in 3D. Several voxels with dose >1000 Gy are found in the penumbra, some located ~0.1 mm from the track core. In computational models, the DSB induction probability is calculated with radial dose [6], which may not take into account the higher RBE of electron track ends for DSB induction. Therefore, these simulations should help improve models of DSB induction and our understanding of heavy ions biophysics.

Plante, Ianik↗

NASA NTRS2015

OLTARIS - Overview and Recent Updates

The On-Line Tool for the Assessment of Radiation in Space (OLTARIS) is a web-based set of tools and models that allow engineers and scientists to assess the effects of space radiation in spacecraft, habitats, rovers, and spacesuits. The site is intended to be a design tool for those studying the effects of space radiation for current and future missions as well as a research tool for those developing advanced material and shielding concepts. The tools and models are built around the HZETRN radiation transport code and are currently focused on human-related responses. OLTARIS was deployed in 2008. Since that time, many improvements and additional capabilities have been added to the site. The purpose of this poster/presentation is to give an overview of the current capabilities of OLTARIS and focus on the updates to the site since the last workshop presentation in 2014. OLTARIS currently has 240 active accounts - 87 accounts are government (including NASA, ORNL, JPL, AFRL, and FAA), 76 are university professors/researchers/students, and 51 are industry (including Boeing, Space X, Lockheed-Martin, ATK, Northrup Grumman, and Bigelow Aerospace). There have been 14,000 jobs run through OLTARIS since counting began in November 2009. ITAR restrictions were recently reversed, so the site is now available to registered users worldwide.

Sandridge, C. A.↗

NASA NTRS2022

Employing Relaxed Smoothness Constraints on Imaginary Part of Refractive Index in AERONET Aerosol Retrieval Algorithm

In the Aerosol Robotic Network (AERONET) retrieval algorithm, smoothness constraints on the imaginary part of the refractive index provide control of retrieved spectral dependence of aerosol absorption by preventing the inversion code from fitting the noise in optical measurements and thus avoiding unrealistic oscillations of retrievals with wavelength. The history of implementation of the smoothness constraints in the AERONET retrieval algorithm is discussed. It is shown that the latest version of the smoothness constraints on the imaginary part of refractive index, termed standard and employed by Version 3 of the retrieval algorithm, should be modified to account for strong variability of light absorption by brown-carbon-containing aerosols in UV through mid-visible parts of the solar spectrum. In Version 3 strong spectral constraints were imposed at high values of the Ångström exponent (440–870 nm) since black carbon was assumed to be the primary absorber, while the constraints became increasingly relaxed as aerosol exponent deceased to allow for wavelength dependence of absorption for dust aerosols. The new version of the smoothness constraints on the imaginary part of the refractive index assigns different weights to different pairs of wavelengths, which are the same for all values of the Ångström exponent. For example, in the case of four-wavelength input, the weights assigned to short-wavelength pairs (440–675, 675–870 nm) are small so that smoothness constraints do not suppress natural spectral variability of the imaginary part of the refractive index. At longer wavelengths (870–1020 nm), however, the weight is 10 times higher to provide additional constraints on the imaginary part of refractive index retrievals of aerosols with a high Ångström exponent due to low sensitivity to aerosol absorption for longer channels at relatively low aerosol optical depths. The effect of applying the new version of smoothness constraints, termed relaxed, on retrievals of single-scattering albedo is analyzed for case studies of different aerosol types: black- and brown-carbon-containing fine mode aerosols, mineral dust coarse mode aerosols, and urban industrial fine mode aerosol. It is shown that for brown-carbon-containing aerosols employing the relaxed smoothness constraints resulted in significant reduction in retrieved single-scattering albedo and spectral residual errors (compared to standard) at the short wavelengths. For example, biomass burning smoke cases showed a reduction in single-scattering albedo and spectral residual error at 380 nm of ∼ 0.033 and ∼ 17 %, respectively, for the Rexburg site and ∼ 0.04 and ∼ 12.7 % for the Rimrock site, both AERONET sites in Idaho, USA. For a site with very high levels of black-carbon-containing aerosols (Mongu, Zambia), the effect of modification in the smoothness constraints was minor. For mineral dust aerosols at small Ångström exponent values (Mezaira site, UAE), the spectral constraint on the imaginary part of the refractive index was already relaxed in Version 3; therefore the new relaxed constraint results in minimal change. In the case of weakly absorbing urban industrial aerosols at the GSFC site, there are significant changes in retrieved single-scattering albedo using relaxed assumption, especially reductions at longer wavelengths: ∼ 0.016 and ∼ 0.02 at 875 and 1020 nm, respectively, for 440 nm aerosol optical depth (AOD) ∼ 0.3. The modification of smoothness constraints on the imaginary part of the refractive index has a minor effect on retrievals of other aerosol parameters such as the real part of the refractive index and parameters of the aerosol size distribution. The implementation of the relaxed smoothness constraints on the imaginary part of the refractive index in the next version of the AERONET inversion algorithm will produce significant impacts at some sites in short wavelength channels (380 and 440 nm) for some biomass burning smoke cases with significant brown carbon content and possibly in mid-visible channels (500 and 675 nm) to near-infrared channels (870 to 1020 nm) for some urban industrial aerosol types. However, most differences in single-scattering albedo retrievals between those applying the new relaxed constraint and the standard constraint will be within the uncertainty of the single-scattering albedo retrievals, depending on the level of aerosol optical depth, Ångström exponent, brown carbon content and wavelength.

Aliaksandr Siniuk↗

DOE OSTI2015

Genetic algorithm based task reordering to improve the performance of batch scheduled massively parallel scientific applications

The growth in size of networked high performance computers along with novel accelerator-based node architectures has further emphasized the importance of communication efficiency in high performance computing. The world's largest high performance computers are usually operated as shared user facilities due to the costs of acquisition and operation. Applications are scheduled for execution in a shared environment and are placed on nodes that are not necessarily contiguous on the interconnect. Furthermore, the placement of tasks on the nodes allocated by the scheduler is sub-optimal, leading to performance loss and variability. Here, we investigate the impact of task placement on the performance of two massively parallel application codes on the Titan supercomputer, a turbulent combustion flow solver (S3D) and a molecular dynamics code (LAMMPS). Benchmark studies show a significant deviation from ideal weak scaling and variability in performance. The inter-task communication distance was determined to be one of the significant contributors to the performance degradation and variability. A genetic algorithm-based parallel optimization technique was used to optimize the task ordering. This technique provides an improved placement of the tasks on the nodes, taking into account the application's communication topology and the system interconnect topology. As a result, application benchmarks after task reordering through genetic algorithm show a significant improvement in performance and reduction in variability, therefore enabling the applications to achieve better time to solution and scalability on Titan during production.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2015

A Finite Element Model for Simulation of Carbon Dioxide Sequestration

We present a hydro-mechanical model, followed by stress, deformation, and shear-slip failure analysis for geological sequestration of carbon dioxide (CO2). The model considers the poroelastic effects by taking into account of the two-way coupling between the geomechanical response and the fluid flow process. Analytical solutions for pressure and deformation fields were derived for a typical geological sequestration scenario in our previous work. A finite element approach is introduced here for numerically solving the hydro-mechanical model with arbitrary boundary conditions. The numerical approach was built on an open-source finite element code Elmer, and results were compared to the analytical solutions. The shear-slip failure analysis was presented based on the numerical results, where the potential failure zone is identified. Information is relevant to the prediction of the maximum sustainable injection rate or pressure. The effects of caprock permeability on the fluid pressure, deformation, stress, and the shear-slip failure zone were also quantitatively studied. It was shown that a larger permeability in caprock and base rock leads to a larger uplift but a smaller shear-slip failure zone.

54 ENVIRONMENTAL SCIENCES↗