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LLNL Kimberlina 1.2 NUFT Simulations June 2018 (v2)

This dataset contains the output 6,000, 3-dimensional reactive multi-phase flow and transport aquifer simulations of brine and CO2 leakage into a protective aquiver in California’s San Joaquin Valley and input data files detailing the geologic mesh, aquifer physical properties and CO2 and brine injection rates. This data set was generated as an ongoing effort with the US DOE National Risk Assessment Partnership (NRAP) to evaluate the effectiveness of monitoring techniques to detect brine and CO2 leakage from legacy wells into underground sources of drinking water overlaying a CO2 storage reservoir. Each simulation contains a unique set of input parameters, generated stochastically. The outputs consist of these upper three geologic layers (from top): the Etchegoin, Macoma-Chanac, Santa Margarita-McLure formations. These simulations span the several distances (1, 3 and 6 km or wells W31-0.2, W31-0.5 and W31-1.0, respectively) from the CO2 injector, initiated from bottom hole pressure and saturation to calculate wellbore leakage from the storage reservoir, with low and high regional groundwater gradients and wellbore leakage into 5 leaky nodes. The dataset includes 1,000 unique simulations for each distance, which each contain a unique aquifer heterogeneity, aquifer and caprock permeability, and two model generations are included with a high permeability (prod07) and hybrid permeability (prod09). The range of permeability distributions is listed in Table 1. Each model generation consists of 3,000 simulations. Included in the dataset are the leakage rates determined from 2D wellbore models which utilize the pressure and CO2 saturation from LBL's reservoir simulations, NUFT mesh files with distributed lithology, NUFT rocktab files which describe the material properties for the geologic layers and the NUFT input files and post-processed output 'ntab' files. Each ntab file contains spatial (rows) and temporal (columns) model output tables for each model cell, the locations (x,y,z) and dimensions for each cells (dx, dy, dz). Table 1. Permeability distribution ranges for prod07 and prod09 model generations Geologic Layer: Permeability Range (log10 m^2) prod07 prod09 Etchegoin -12.92 to -10.92 -13.70 to -11.44 Macoma-Chanac -12.72 to -10.72 -13.50 to -11.24 Santa Margarita-McLure -12.70 to -10.70 -13.48 to -11.22 The input files used to generate the model include which are included in the dataset are: Time series of CO2 leakage input into the model (ex: Q_brn.W31-0.2.sim1000.layers123.tab) Time series of CO2 leakage input into the model (ex: Q_CO2.W31-0.2.sim1000.layers123.tab) Physical properties of the aquifer materials detailing the aquifer porosity, solid density, partitioning coefficients, permeabilities and van-Genuchten parameters detailed in a NUFT rocktab file: (ex: sim1000.usnt.rocktab) Numerical mesh and geologic data assigned to each model cell detailed in a NUFT genmsh format (ex: sim1000.mesh_k16.prod07.trans.genmsh) The primary output parameters are: pH (use absolute value) Change in TDS (mg/kg) Change in Pressure (Pa) Change CO2 gas saturation (fraction range 0.0-1.0) for example, the directory /p/lscratchh/mansoor1/nrap/kimberlina/prod09/mainfiles/sim1000/W31- 0.2 contains: sim1000.W31-0.2.trans.pH.red.ntab sim1000.W31-0.2.no_bg.trans.TDS.red.ntab sim1000.W31-0.2.usnt.P.deltabg.red.ntab sim1000.W31-0.2.usnt.CO2_sat.deltabg.red.ntab Each row in the NTAB files consist of model output per numerical grid cell. Each output file contains 33 columns (variables), including the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the ith grid of y-axis 4. k: the ith grid of z-axis 5. element_ref: element reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The remainder (14, 15, 16...) variables are the simulated parameter values over time, take Pressure as an example, are: 14. 0.0y: initial pressure per cell. 15. 10.0y: simulated pressure at the end of the 10th year. 16. 20.0y: simulated pressure at the end of the 20th year. ... (repeated for every 10 years until 200 years)... The model extends 10,000 m, 5,000 m and 1,411 m in the x,y and z dimensions, respectively. The mesh consists of 164,832 cells with mesh dimensions of 101 x 51 x 32 (nx, ny, nz), with cell dimensions ranging from 100 m laterally (along x and y-axis) and model layers are as designated in the z-axis: Layer 1: atmosphere (1e-30 m thick) Layer 2: upper caprock (10 m thick) Layers 3-13: Etchegoin (536.23 m thck) Layers 14-27: Macoma-Chanac (679.04 m thick) Layers 28-32: Santa Margarita-McLure (185.94 m thick) The wellbore is placed along node i=51, j=26, and extends vertically along 5 nodes from the top to the bottom of the model. Special instructions when extracting files: Each Gzip archive (ex: prod07.sim1000-sim00099.tar.gz) contains 100 simulations. Gzip archives should be transferred into base directories (ie. In Linux: mkdir prod07; mv prod07.*.tar.gz prod07/.) before extracting, or files will be overwritten. Each sub-simulation tree should have the following file structure pattern (using the linux 'tree' command): |-- prod07 | |-- sim0001 | |-- W31-0.2 | | |-- Q_brn.W31-0.2.sim0001.layers123.tab | | |-- Q_co2.W31-0.2.sim0001.layers123.tab | | |-- sim0001.W31-0.2.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.2.trans.pH.red.ntab | | |-- sim0001.W31-0.2.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.2.usnt.P.deltabg.red.ntab | |-- W31-0.5 | | |-- Q_brn.W31-0.5.sim0001.layers123.tab | | |-- Q_co2.W31-0.5.sim0001.layers123.tab | | |-- sim0001.W31-0.5.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-0.5.trans.pH.red.ntab | | |-- sim0001.W31-0.5.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-0.5.usnt.P.deltabg.red.ntab | |-- W31-1.0 | | |-- Q_brn.W31-1.0.sim0001.layers123.tab | | |-- Q_co2.W31-1.0.sim0001.layers123.tab | | |-- sim0001.W31-1.0.no_bg.trans.TDS.red.ntab | | |-- sim0001.W31-1.0.trans.pH.red.ntab | | |-- sim0001.W31-1.0.usnt.CO2_sat.deltabg.red.ntab | | |-- sim0001.W31-1.0.usnt.P.deltabg.red.ntab | |-- sim0001.mesh_k16.prod07.trans.genmsh Disclaimer This document was prepared as an account of work sponsored by an agency of the United States government. Neither the United States government nor Lawrence Livermore National Security, LLC, nor any of their employees makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States government or Lawrence Livermore National Security, LLC. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States government or Lawrence Livermore National Security, LLC, and shall not be used for advertising or product endorsement purposes. Lawrence Livermore National Laboratory is operated by Lawrence Livermore National Security, LLC, for the U.S. Department of Energy, National Nuclear Security Administration under Contract DE-AC52-07NA27344. This report was reviewed and released as LLNL-MI-753464.

aquifer↗

Revised Kimberlina Groundwater Simulations

Kimberlina Groundwater Qaulity Simulations (Version 3: 2015 October) by Lawrence Livermore National Labratory. Submitted to the EDX team at the National Energy Technology Laboratory for research use. This dataset contains 562 updated groundwater quality simulations based on the Kimberlina site. It is a six-layer model including the aquifers and aquitards inbetween the ground surface and the reservoir. The input files and associated leakage information for these simulations are included in the zip file "nrap_kim_well31_fluxes and inputs.tar.gz". These 562 simulations are the successful results out of 1000 monte carlo simulations, with time length greater than 5 years. Each simulation consists 6 output files, therefore, there are 3372 files (6*562) in total. One single example simulation of full time length (200 year) is also provided in the zip file "single_simulation_200yr_sim0012.tar.gz". These 6 groundwater quality parameters are: - pH (use absolute value) - TDS (mg/kg) - Pressure (Pa) - CO2 Liquid Saturation (fraction range 0.0-1.0) - CO2 Gas Concentration (mol/L) - CO2 Liquid Concentration (mol/kg) Their correponding file names, take the first simulation for example, are: ph0001.ntab (for pH) , tds0001.ntab (for TDS), usnt0001.p.ntab (for pressure), usnt0001.s_liquid.ntab (for liquid saturation), usnt0001.c_co2_gas.ntab (for CO2 gas concentration) and usnt0001.c_co2_liquid.ntab (for CO2 liquid concentration). Each output file contains at least 19 columns (variables). The total number of columns depends on the simulation time length. The column data include the information of numerical records, geologic location and sizes and the simulated parameter values over time. The first 13 variables are about numerical records and relative geologic information for a simulation grid: 1. index: simulation index 2. i: the ith grid of x-axis 3. j: the jth grid of y-axis 4. k: the kth grid of z-axis 5. element_ref: element type reference 6. nuft_ind: nuft index 7. x: grid location in the x axis direction 8. y: grid location in the y axis direction 9. z: grid location in the z axis direction 10. dx: grid length in the x axis direction 11. dy: grid length in the y axis direction 12. dz: grid length in the z axis direction 13. volume: volume of the simulation grid The rest (14, 15, 16...) variables are the simulated parameter values over time, take pH as an example, are: 14. ph000y: initial pH value. 15. ph001y: simulated pH value at the end of the 1st year. 16. ph002y: simulated pH value at the end of the 2nd year. ... (and so on)... The zip input files have the input fluxes of brine and CO2 (in kg/s) allocated to model layers 1,2,3 and 5 (layers 4 and 6 are assumed to be no-flow aquitards) through the following nodes: (src1 WELL 7 7 25 25 10 32) #Etchegoin (src2 WELL 7 7 25 25 33 72) #Macoma Chanac (src3 WELL 7 7 25 25 73 83) #Santa Margarita Mclure (src4 WELL 7 7 25 25 84 89) #Fruitvale Round Mountain (aquitard) (src5 WELL 7 7 25 25 90 96) #Olcese Sand (thief zone) (src6 WELL 7 7 25 25 97 99) #tremblor Freeman (aquitard) ex: brn1 is assigned to src 1 from i=(7,7), j=(25,25), k=(10,32) Edited by Ya-Mei Yang at National Energy Technology Laboratory

brine leakage↗

Computational Fluid Dynamics (CFD) Simulations of Taylor Bubbles in Vertical and Inclined Pipes with Upward and Downward Liquid Flow

Summary Two-phase flow is a common occurrence in pipes of oil and gas developments. Current predictive tools are based on the mechanistic two-fluid model, which requires the use of closure relations to predict integral flow parameters such as liquid holdup (or void fraction) and pressure gradient. However, these closure relations carry the highest uncertainties in the model. In particular, significant discrepancies have been found between experimental data and closure relations for the Taylor bubble velocity in slug flow, which has been determined to strongly affect the mechanistic model predictions (Lizarraga-García 2016). In this work, we study the behavior of Taylor bubbles in vertical and inclined pipes with upward and downward flow using a validated 3D computational fluid dynamics (CFD) approach with level set method implemented in a commercial code. A total of 56 cases are simulated, covering a wide range of fluid properties, pipe diameters, and inclination angles: Eo ∈ [10, 700]; Mo ∈ [1×10–6, 5×103]; ReSL ∈ [–40, 10]; θ ∈ [5°, 90°]. For bubbles in vertical upward flows, the simulated distribution parameter, C0, is successfully compared with an existing model. However, the C0 values of downward and inclined slug flows where the bubble becomes asymmetric are shown to be significantly different from their respective vertical upward flow values, and no current model exists for the fluids simulated here. The main contributions of this work are (1) the relatively large 3D numerical database generated for this type of flow, (2) the study of the asymmetric nature of inclined and some vertical downward slug flows, and (3) the analysis of its impact on the distribution parameter, C0.

Engineering↗

The Trillion Pixel GeoAI Challenge Workshop

Rapid innovations in satellite and airborne remote sensing capabilities holds the promise of collecting high-resolution imagery with daily, even hourly cadence across the entire planet. Availability of such earth observation data streams at varying spatial and temporal scales, coupled with astonishing progress in AI and transformational advances in high performance computing bring into view the possibility of mapping and interpreting the surface of our planet at unprecedented detail. The implications of such capability for science, technology, policy, and security are far reaching. Moreover, even at a modest 5m resolution, 100 trillion pixels will describe the surface of the Earth every day. Consequently, monitoring the pulse of our planet will entail collecting, refining, analyzing, and curating those 100 trillion pixels within a 24-hour period. That is a challenge with unknown solutions as of today’s advances and therefore serves as a key motivation for this workshop. The GEOINT and AI communities have a unique opportunity to enable detailed monitoring the pulse of our planet and obtain new insights into how humans occupy, interact with, and alter the surface of the Earth over time. From a science and technology standpoint, this is a modern-day moonshot that presents numerous challenges particularly related to scaling the analysis to every pixel covering the planet. The challenge of making sense of all these pixels in a timely fashion include image processing at scale, selective analysis of only the pixels that matter, generalizing AI models across heterogeneous locations, computing on hardware that is memory constrained, and deploying automated feature extraction on edge devices. The designing of capable GeoAI workflows and data pipelines will require interdisciplinary efforts and partnerships. The Trillion Pixel Challenge for GeoAI workshop was is promoted as a first community effort to discuss priority research and development directions and to establish the partnerships and collaborations needed to make progress on critical scientific and operational applications from local to regional to planet scale.

97 MATHEMATICS AND COMPUTING↗

Witness the Trinity test through Lab artifacts

July 16 marks the 77th anniversary of the Trinity test, conducted in a desert in New Mexico. The test subject, an atomic bomb called The Gadget, was successfully detonated from a 100-foot steel tower. This event marks the commencement of the Atomic Age, a new era where fission capabilities could be employed for national security purposes. Shortly after the Trinity test, two Los Alamos-created atomic weapons were released above Japan, helping to end the world’s bloodiest conflict just weeks later. “Trinity was one of the greatest scientific experiments ever,” said NSRC Senior Historian Alan Carr said. “Los Alamos scientists changed the world forever on that day. Not only was it the dawn of the Atomic Age, but also the beginning of the Lab’s eight decades of cutting-edge science and its national security charge.” To preserve this event, and to continue to learn more about this critical moment in history, the National Security Research Center (NSRC) curates a collection of photographs, films, notes, unclassified artifacts and numerous other materials related to the science of the test. Notably, the collection includes a novel material that formed at the site, trinitite, and artifacts from one of the intriguing scientists present at the test, Enrico Fermi.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Longitudinal waves in a perpendicular collisionless plasma shock. III.

This paper considers electrostatic waves in a Vlasov plasma of unmagnetized ions and magnetized electrons undergoing an E x B drift. The linear dispersion relation is solved numerically for an electron temperature approximately equal to the ion temperature. For a fixed ratio of drift velocity to electron thermal velocity, the growth rates of the E x B electron drift instability are smaller, and the waves are stabilized at much smaller values of k.B than in the case where electron temperature is much larger than the ion temperature.

Gary, S. P.↗

Taylor stability of viscous fluids with application to film boiling

The dispersion relation is evaluated numerically for Taylor waves in a viscous unstable interface with surface tension. The solution takes account of transverse curvature and the numerical evaluations apply to horizontal cylindrical, as well as to plane, interfaces. The result is verified with frequency and wavelength data obtained during film boiling on horizontal wires. A very general empirical correlation is given, en passant, for the vapor blanket thickness during film boiling.

Dhir, V. K.↗

Effects of finite plasma beta on the lower-hybrid-drift instability

The local dispersion relation for the lower-hybrid-drift (LHD) instability is derived and analyzed, taking into account the finite-beta effects associated with transverse electromagnetic perturbations as well as with resonant and nonresonant electron-orbit modifications due to magnetic-field gradients. The influence of finite-beta effects on the LHD instability is calculated in a fully self-consistent manner for arbitrary values of electron-ion temperature ratio, local beta, cross-field ExB velocity/ion thermal speed ratio, and other plasma parameters. Stability properties are investigated analytically for the case of cold electrons, and the local dispersion relation is solved numerically in the parameter regime of most interest for high-density plasma pinches. The results show that for all parameter regimes studied, the net effect of finite plasma beta is to reduce the maximum growth rate of the LHD instability, although the details can vary, depending on the plasma parameters. Except in the limit where the electron/ion temperature ratio tends to zero, it is found that there is a critical value of plasma beta above which the LHD instability is completely stabilized.

Davidson, R. C.↗

A generalized vortex lattice method

Several variations of vortex lattice method that are currently available have proved practical and versatile theoretical tools for aerodynamic analysis and design of planar and nonplanar configurations. Success of method is due in great part to relative simplicity of numerical technique involved and to accuracy of results obtained; however, most of available procedures are for subsonic flow applications. VORLAX program was developed to incorporate direct extension of vortex lattice method into supersonic flow regime, thus providing analyst with full flow range capability.

Baker, W. M.↗

Stability aspects of diverging subsonic flow

The paper describes the computation of two-dimensional, subsonic, diverging internal flows and how they differ from the corresponding converging flows. Such diverging or decelerating flows occur in such obvious places as subsonic diffusers and inlets; however, such flows also occur in supersonic nozzles in the presence of a normal shock. The flow instability and its relation to the numerical method used, boundary conditions, and viscous effects are assessed both analytically and numerically. The inviscid flow is shown to be physically unstable and a poor representation of the true viscous flow.

Cline, M. C.↗

Further observations on resonance cones in non-Maxwellian plasmas

Results on the angular distribution of the electrostatic potential of a pulsating point charge in a warm magnetized plasma permeated by an electron beam are presented. The theoretical formulation for a finite magnetic field is given, and the solution of the resonance cone dispersion relation is presented. Numerical results on the angular distribution of the potential are shown, and the propagation of waves outside the resonance cones is described. It is demonstrated that with the inclusions of a finite magnetic field, the field patterns of a point charge are qualitatively similar to those obtained for a uniaxial plasma. The Cerenkov radiation occurs at angles much smaller than the cold-cone angle, even with the finite magnetic field. When the beam velocity is well above the thermal velocity of the background electrons, a characteristic wave propagation occurs between the cold-cone angles.

Thiemann, H.↗

1983 lightning, turbulence, wind shear, and Doppler radar studies at the National Severe Storms Laboratory

As part of continuing research on aviation related weather hazards, numerous experiments were incorporated into the 1983 Spring Observation Program. This year's program was an abbreviated one because of commitments made to the development of the Next Generation Radar (NEXRAD) project. The National Oceanic and Atmospheric Administration's (NOAA) P-3 Orion and the National Aeronautics and Space Administration's (NASA) RB-57B and U-2 were the main aircraft involved in the studies of lightning, wind shear, turbulence, and storm structure. A total of 14 flights were made by these aircraft during the period of May 16 through June 5, 1983. Aircraft instrumentation experiments are described, and resultant data sets available for research are detailed. Aircraft instrumentation and Doppler radar characteristics are detailed.

Lee, J. T.↗

Theoretical Foundation for Weld Modeling

Differential equations describe physics of tungsten/inert-gas and plasma-arc welding in aluminum. Report collects and describes necessary theoretical foundation upon which numerical welding model is constructed for tungsten/inert gas or plasma-arc welding in aluminum without keyhole. Governing partial differential equations for flow of heat, metal, and current given, together with boundary conditions relevant to welding process. Numerical estimates for relative importance of various phenomena and required properties of 2219 aluminum included

Traugott, S.↗

Theory of the current-driven ion cyclotron instability in the bottomside ionosphere

A comprehensive treatment of the theory of electrostatic ion cyclotron instability in the collisional bottomside ionosphere is given. The linear dispersion relations for the ion cyclotron instability (electron and ion collisions) are derived. Analytical solutions to the dispersion relation are obtained in three limits: collisionless; weakly collisional; and collisional. In addition, the linear dispersion relation is solved numerically, using parameters typical of the high-latitude bottomside ionosphere. It is pointed out that the linear growth rates in the bottomside collisional regime can be of the same order as the corresponding topside collisionless growth rates. A nonlinear saturation mechanism for the electrostatic ion cyclotron instability is proposed on the basis of Dupree's (1966) resonance broadening theory.

Satyanarayana, P.↗

Conforming versus non-conforming boundary elements in three-dimensional elastostatics

A critical comparison of two basic formulations in three-dimensional elastostatics, using conforming and nonconforming boundary elements, is presented. The basic structure of the boundary element method is developed. The peculiarities that both types of boundary elements present in relation to the numerical implementation are discussed. Through selected examples, key issues such as the computational advantages and disadvantages of both formulations, mesh discretization and accuracy questions, and optimal location of the collocation nodes in the case of nonconforming elements are addressed. It is shown that conforming elements are able to produce more accurate results than nonconforming ones, with substantial economy in the final size of the system equations.

Manolis, G. D.↗

Aspects of supercritical wing theory

Concepts and techniques that have proved successful in the computational theory of shockless airfoils are examined. Shockless airfoils have been used in the design of supercritical wings for fuel-efficient aircraft. In transonic aerodynamics, it is has been found that test data agree well with the best results obtained from CFD. This is particularly true for two-dimensional flow, where accurate experiments are difficult to perform and numerical calculations are relatively easy. However, it is important to choose reasonable models in setting up the computations. Particular attention is given to the formulation of the relevant differential equations in ways that have been found to be satisfactory in practice.

Garabedian, P. R.↗

USSR Space Life Sciences Digest, issue 20

Abstracts of research in the areas of biological rhythms, body fluids, botany, endrocrinology, enzymology, exobiology, genetics, human performance, immunology, life support systems, mathematical modeling, and numerous other topics related to space and life sciences are given.

Hooke, Lydia Razran↗

Discrete events and solar wind energization

Based on a multiple-magnetic-reconnection picture, an estimation of the energy flux suggests that small-scale EUV exploding events may contribute a significant amount of energy (of order of 100,000 erg/sq cm sec) to solar atmospheric heating and solar-wind acceleration. Most of the dissipated magnetic energy is converted into thermal energy and plasma turbulence. On a related aspect, a numerical study based on the nonlinear one-fluid hydrodynamic equations shows a self-smoothing effect, whereby a multistream structure of the solar wind formed near the sun can be gradually smoothed during its propagation through interplanetary space. This calculation gives support for the possible contribution of discrete energetic events to high-speed solar wind streams.

Yang, W.-H.↗