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At least 1,207 records · Page 67

Acoustics and Performance of a Scaled Spacecraft Cabin Ventilation Fan

An axial fan was designed at NASA Glenn Research Center using tools developed for aircraft turbine engines. The fan unit design size, flow rate and pressure rise were chosen to be broadly in the range of the Orion cabin fan. A ground test prototype was built and tested, confirming design predictions. Pressure rise and flow rate measurements were conducted over a range of fan speeds while in-duct and radiated acoustic measurements were collected. Unsteady flow measurements were acquired between the rotor and stator. These methods are a hybrid of the techniques used for small fans and those used for aircraft engine component tests. A larger version of the fan was recently designed, based on the original fan, using aerodynamic scaling laws resulting in a design with approximately twice the flow rate and twice the pressure-rise compared to the original fan. The mechanical structure was optimized using generative design for low weight. The paper discusses this larger fan design including the scaling laws, the predicted performance and acoustics.

ventilation↗

Dislocation half-loop control for optimal V-defect density in GaN-based light emitting diodes

V-defects are morphological defects that typically form on threading dislocations during epitaxial growth of $(0001)$-oriented GaN layers. A V-defect is a hexagonal pyramid-shaped depression with six {$10\bar{1}1$}-oriented sidewalls. These semipolar sidewalls have a lower polarization barrier than the polarization barriers present between the polar c-plane quantum wells and quantum barriers and can laterally inject carriers directly into quantum wells in GaN-based light emitting diodes (LEDs). This is especially important, as the high polarization field in c-plane GaN is a significant factor in the high forward voltage of GaN LEDs. The optimal V-defect density for efficient lateral carrier injection in a GaN LED (∼10 9 cm −2 ) is typically an order of magnitude higher than the threading dislocation density of GaN grown on patterned sapphire substrates (∼10 8 cm −2 ). Pure-edge dislocation loops have been known to exist in GaN, and their formation into large V-defects via low-temperature growth with high Si-doping has recently been studied. Here, in this work, we develop a method for pure-edge threading dislocation half-loop formation and density control via disilane flow, growth temperature, and thickness of the half-loop generation layer. We also develop a method of forming the threading dislocation half-loops into V-defects of comparable size to those originating from substrate threading dislocations.

Crystallographic defects↗

Integrated floating wind farm layout design and mooring system optimization to increase annual energy production

As we cluster wind turbines in wind farms to gain energy from sites with high wind speeds, wake losses occur within the wind farm. Wake loss is a term used to describe the lower energy production of a downwind turbine that is totally or partially in the wake of an upwind turbine. To decrease wake losses inside the wind farm, the wind farm’s layout is optimized. However, a variety of factors constrain the wind farm layout optimization, such as the size of the lease area relative to the number of turbines to be placed, or the shape of the lease area. Therefore, many wind farms end up with a regular grid layout, such as the Horns Rev 1 wind farm in the North Sea. The ability of a floating offshore wind turbine (FOWT) to change its position based on the wind direction and its mooring system design presents an opportunity to further decrease wake losses in floating wind farms. In this work, we integrate the design of the FOWT mooring systems with the floating wind farm layout design with the goal of increasing the farm’s annual energy production. We use the Horns Rev 1 wind farm as a case study to demonstrate our method. The results show that allowing the FOWT to relocate can decrease wake losses up to 18%. Moreover, the newly developed mooring systems are less stiff and therefore allow larger motion of the FOWT; hence, the material cost of the mooring system decreases by an estimated 17%.

17 WIND ENERGY↗

Active Aerodynamic Load Control for Wind Turbines

The goal of this project was to develop and demonstrate an advanced dielectric barrier discharge (DBD) plasma actuator technology. We set out to demonstrate the efficacy and impact of the new actuator technology as a key component of an active load control system for wind turbines. A DBD plasma actuator consists of a thin layer of dielectric material separating a pair of offset electrodes. One of those electrodes is embedded between the dielectric layer and a non-conductive substrate, while the other is exposed to air. When driven by an appropriate high voltage waveform, the device ionizes the air near the surface of the dielectric and adjacent to the exposed electrode. Collisions between the ions in the plasma and neutral air molecules result in a wall-jet – a region of induced air velocity that can be used to modify the flow around a lifting body. Use of the device near the trailing edge of a wind turbine blade, designed in such a way as to amplify the effects of the flow-modifying device, can result in large changes to the global forces experienced by the blade. Because of the fast response time of the device, it can allow the turbine to react in real time to changes in the wind associated with turbulence, wind shear, gusts, and the like, when paired with appropriate sensors and control algorithms. The goal of this project was to increase the capacity of the device to induce velocity on its surface at the levels required by large, utility-scale wind turbines. The first technical goal was to increase the induced velocity from the current industry-best of about 4 m/s to 10 m/s by modifying the electrical waveform used to drive the device and by introducing a semi-conductive surface coating to control electrostatic charge build-up on the surface. The second goal was to use the device to modify the lift on a representative airfoil in a wind tunnel, demonstrating a reduction in lift coefficient of 0.2 or better. The third goal was to produce an actuator-induced velocity of 20 m/s. Alongside our partners at the University of Texas at Dallas, we also applied modern, advanced design methods to optimize the impact of the technology on the design of wind turbines. We also had planned to install a segmented, active load control system on a test turbine to demonstrate the ability to reduce unsteady aerodynamic forces on the turbine associated with changes in the wind. The highest induced velocity achieved during this research was 11 m/s. However, practical design constraints limited the change in lift coefficient to about 0.12 for a representative airfoil in the wind tunnel at a Reynolds number of 400,000. The primary conclusion is that the plasma actuator control authority remains insufficient for practical purposes when extrapolated to Reynolds numbers over 1 million. The potential impact of the active lift control concept was evaluated through detailed simulations for three wind turbine sizes: a 3.4MW onshore turbine, a 10MW offshore turbine, and a 15MW offshore turbine. A feedback control system was designed for each turbine within two scenarios: one where the active lift control is used as a retrofit capability on the baseline design, and the other where the designers were permitted to “upscale” the turbines in order increase annual energy production. The levelized cost of energy was then evaluated for the range of turbine sizes and design configuration. It was found that the LCOE reduction associated with active lift control fell in the range of 0.7% to 7.2%, with the highest reduction associated with upscaling the 3.4MW turbine.

17 WIND ENERGY↗

Nanoflow Separation of Amino Acids for the Analysis of Cosmic Dust

The delivery of amino acids to the early Earth by interplanetary dust particles, comets, and carbonaceous meteorites could have been a significant source of the early Earth's prebiotic organic inventory. Amino acids are central to modern terrestrial biochemistry as major components of proteins and enzymes and were probably vital in the origin of life. A variety of amino acids have been detected in the CM carbonaceous meteorite Murchison, many of which are exceptionally rare in the terrestrial biosphere including a-aminoisobutyric acid (AIB) and isovaline. AIB has also been detected in a small percentage of Antarctic micrometeorite grains believed to be related to the CM meteorites We report on progress in optimizing a nanoflow liquid chromatography separation system with dual detection via laser-induced-fluorescence time of flight mass spectrometry (nLC-LIF/ToF-MS) for the analysis of o-phthaldialdehydelN-acetyl-L-cysteine (OPA/NAC) labeled amino acids in cosmic dust grains. The very low flow rates (<3 micro-L/min) of nLC over analytical LC (>0.1 ml/min) combined with <2 micron column bead sizes has the potential to produce efficient analyte ionizations andchromatograms with very sharp peaks; both increase sensitivity. The combination of the selectivity (only primary amines are derivatized), sensitivity (>4 orders of magnitude lower than traditional GC-MS techniques), and specificity (compounds identities are determined by both retention time and exact mass) makes this a compelling technique. However, the development of an analytical method to achieve separation of compounds as structurally similar as amino acid monomers and produce the sharp peaks required for maximum sensitivity is challenging.

Martin, M. P.↗

A Study into Validating a Coupled Method of Characteristics and Direct Simulation Monte Carlo Method Against Empirical Data

The following will outline the methodology and results of validating a coupled Method of Characteristics (MOC) and Direct Simulation Monte Carlo (DSMC) method. This research focused specifically on modeling plume impingement, induced by Reaction Control System (RCS) thrusters that flew on the National Aeronautics and Space Administration’s (NASA’s) space shuttle Discovery. For each simulation, the continuum portion of the RCS thruster was simulated using MOC for solving hyperbolic Partial Differential Equations (PDEs) and computed with the NASA code, Reacting and Multi-phase Program (RAMP). The solution was then implemented as a starting condition into the NASA DSMC code, Direct Simulation and Monte Carlo Analysis Code (DAC). Typically, DSMC models rely on code-to-code validation for fidelity. The significance of this research is in its ability to validate its models against empirical data. Prior to computing solutions for these simulations, the mesh size and structure were optimized and many variants of DSMC input parameters were iterated on in order to acquire a reliable, mesh-independent, fully optimized numerical solution. This research will discuss the mathematical formulation of MOC for nozzle flow and DSMC for rarefied gases. Additionally, it will provide an explanation of how to implement these mathematical concepts into the two solvers: RAMP and DAC. Ultimately, this research will demonstrate that the overall process illustrated produces results in good agreement with empirical data. As a consequence, the methodology presented is granted an increased level of confidence and will greatly contribute to the aerospace industry and its effort in understanding and predicting rarefied flow fields.

Direct Simulation Monte Carlo Analysis Code↗

A Study into Validating A Coupled Method of Characteristics And Direct Simulation Monte Carlo Method Against Empirical Data

The following will outline the methodology and results of validating a coupled Method of Characteristics (MOC) and Direct Simulation Monte Carlo (DSMC) method. This research focused specifically on modeling plume impingement, induced by Reaction Control System (RCS) thrusters that flew on the National Aeronautics and Space Administration’s (NASA’s) space shuttle Discovery. For each simulation, the continuum portion of the RCS thruster was simulated using MOC for solving hyperbolic Partial Differential Equations (PDEs) and computed with the NASA code, Reacting and Multi-phase Program (RAMP). The solution was then implemented as a starting condition into the NASA DSMC code, Direct Simulation and Monte Carlo Analysis Code (DAC). Typically, DSMC models rely on code-to-code validation for fidelity. The significance of this research is in its ability to validate its models against empirical data. Prior to computing solutions for these simulations, the mesh size and structure were optimized and many variants of DSMC input parameters were iterated on in order to acquire a reliable, mesh-independent, fully optimized numerical solution. This research will discuss the mathematical formulation of MOC for nozzle flow and DSMC for rarefied gases. Additionally, it will provide an explanation of how to implement these mathematical concepts into the two solvers: RAMP and DAC. Ultimately, this research will demonstrate that the overall process illustrated produces results in good agreement with empirical data. As a consequence, the methodology presented is granted an increased level of confidence and will greatly contribute to the aerospace industry and its effort in understanding and predicting rarefied flow fields.

DAC↗

UAVs for Radiological Monitoring: Determining Ideal Operational Parameters From GEANT4 Simulations - 18025

Owing in no small part to the enormous advances in radiation detector technology (size, sensitivity and spectral-resolution), there has been an increased drive and requirement to accurately map both the spatial extent and magnitude of radiological contamination at the greatest possible spatial resolutions. To undertake this, a range of different methods have been devised and include the use of cars and human, but also planes (and more recently) unmanned aerial vehicles (UAVs). However, critical to the remote sensing using such UAVs in contrast to ground-based sensing, is (i) the selection of the ideal operational parameters to attain the best on-ground resolution in addition to, (ii) understanding the correct normalisation procedures and other influences on results that surveys at these reduced altitudes might present. Resulting from earlier works, through employing combined modelling and experimental data, the optimal height for a UAV survey using the more realistic 'area' radioactive source term (opposed to an infinitely-small 'point-source') is determined to be approximately 5 m - suitably maximizing cross detector counts. At greater altitudes than this, the influence of variations in neighboring topology / topography and nearby structures are observed to be negligible. However, at this and further-reduced altitudes (where optimal count-rates exists), small height-related variations are observed to result, and impact considerably on the complexity of the data normalisation. Whilst not occurring as a tool to entirely replace ground-based surveys, UAV systems are able to perform in challenging or dangerous environments, inadvisable or problematic to send humans. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

A new method for in situ structural investigations of nano-sized amorphous and crystalline materials using mixed-flow reactors

Structural investigations of amorphous and nanocrystalline phases forming in solution are historically challenging. Few methods are capable of in situ atomic structural analysis and rigorous control of the system. A mixed-flow reactor (MFR) is used for total X-ray scattering experiments to examine the short- and long-range structure of phases in situ with pair distribution function (PDF) analysis. The adaptable experimental setup enables data collection for a range of different system chemistries, initial supersaturations and residence times. The age of the sample during analysis is controlled by adjusting the flow rate. Faster rates allow for younger samples to be examined, but if flow is too fast not enough data are acquired to average out excess signal noise. Slower flow rates form older samples, but at very slow speeds particles settle and block flow, clogging the system. Proper background collection and subtraction is critical for data optimization. Overall, this MFR method is an ideal scheme for analyzing the in situ structures of phases that form during crystal growth in solution. As a proof of concept, high-resolution total X-ray scattering data of amorphous and crystalline calcium phosphates and amorphous calcium carbonate were collected for PDF analysis.

36 MATERIALS SCIENCE↗

The Corrosion Behavior of Zn/Graphene Oxide Composite Coatings Fabricated by Direct Current Electrodeposition

The zinc (Zn) and Zn/graphene oxide (Zn/GO) composite coatings on the mild steel were fabricated by direct current electrodeposition from an acidic chloride bath without GO and that with four different concentrations (50, 100, 200 and 300 mg/L) of GO, respectively. The GO first is synthesized by using the typical Hummer method. Physical characterizations including the surface and cross-sectional morphology, chemical composition and crystal structure of the Zn and Zn/GO composite coatings were done by scanning electron microscope, energy-dispersive x-ray and x-ray diffraction. The crystalline size, texture coefficient, water contact angle and hardness of the Zn and Zn/GO composite coatings were measured. The corrosion behavior of the Zn and Zn/GO composite coatings was studied by the electrochemical corrosion tests including the potentiodynamic polarization test and the electrochemical impedance spectroscopy test and the immersion test. The result reveals that the corrosion resistance of the Zn coating is remarkably increased by the incorporation of GO. Furthermore, it does not show a linear increase with the increase in the amount of incorporated GO and an optimal corrosion resistance is provided by the Zn/GO composite coating attained from the electrolyte containing 100 mg/L GO. The influence of the incorporation of GO on the corrosion resistance of the Zn coating is explained in combination with their physical characterizations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Jacobian-free Newton–Krylov method for the simulation of non-thermal plasma discharges with high-order time integration and physics-based preconditioning

A preconditioning framework for the numerical simulation of non-thermal streamer discharges is developed using the Jacobian-free Newton-Krylov (JFNK) method. A reduced plasma fluid model is considered, consisting of electrons, one positive ion, one negative ion, and the electrostatic potential. Here, the plasma kinetics model includes ionization, electron-ion recombination, electron attachment, electron detachment, and ion-ion recombination. The governing equations are made dimensionless, discretized in space with finite differences, and integrated in time with a fully implicit method based on high-order backward differentiation formulas. The preconditioning framework is based on a linearized form of the governing equations and physics-based operator splitting. The efficiency of the preconditioning strategy is assessed through two test cases: streamer propagation between parallel plates and an axisymmetric pin-to-pin discharge. The fully implicit approach overcomes traditional restrictions in the time step size due to processes such as electron drift, electron diffusion, and dielectric relaxation. Excellent performance is observed through relevant statistics of the JFNK solver, although the number of linear iterations increases for the pin-to-pin discharge when nonlinear numerical boundary conditions are imposed at the electrodes. Performance studies show scalability with O(100-1000) processors for O(10M) unknowns with ample room for optimization.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

The detection of tightly closed flaws by nondestructive testing (NDT) methods

Liquid penetrant, ultrasonic, eddy current and X-radiographic techniques were optimized and applied to the evaluation of 2219-T87 aluminum alloy test specimens in integrally stiffened panel, and weld panel configurations. Fatigue cracks in integrally stiffened panels, lack-of-fusion in weld panels, and fatigue cracks in weld panels were the flaw types used for evaluation. A 2319 aluminum alloy weld filler rod was used for all welding to produce the test specimens. Forty seven integrally stiffened panels containing a total of 146 fatigue cracks, ninety three lack-of-penetration (LOP) specimens containing a total of 239 LOP flaws, and one-hundred seventeen welded specimens containing a total of 293 fatigue cracks were evaluated. Nondestructive test detection reliability enhancement was evaluated during separate inspection sequences in the specimens in the 'as-machined or as-welded', post etched and post proof loaded conditions. Results of the nondestructive test evaluations were compared to the actual flaw size obtained by measurement of the fracture specimens after completing all inspection sequences. Inspection data were then analyzed to provide a statistical basis for determining the flaw detection reliability.

Rummel, W. D.↗

3D Cloud Tomography and Droplet Size Retrieval from Multi-Angle Polarimetric Imaging of Scattered Sunlight from Above

Tomography aims to recover a three-dimensional (3D) density map of a medium or an object. In medical imaging,it is extensively used for diagnostics via X-ray computed tomography (CT). We define and derive a tomographyof cloud droplet distributions via passive remote sensing. We use multi-view polarimetric images to fit a 3Dpolarized radiative transfer (RT) forward model. Our motivation is 3D volumetric probing of vertically-developedconvectively-driven clouds that are ill-served by current methods in operational passive remote sensing. Currenttechniques are indeed based on strictly 1D RT modeling and applied to a single cloudy pixel, where cloud geometrydefaults to that of a plane-parallel slab. Incident unpolarized sunlight, once scattered by cloud droplets, changesits polarization state according to droplet size. Therefore, polarimetric measurements in the rainbow and gloryangular regions can be used to infer the droplet size distribution. This work defines and derives a framework for afull 3D tomography of cloud droplets for both their mass concentration in space and their distribution across arange of sizes. This gridded 3D retrieval of key microphysical properties is made tractable by our novel approachthat involves a restructuring and partial linearization of an open-source polarized 3D RT code to accommodate aspecial two-step iterative optimization technique. Physically-realistic synthetic clouds are used to demonstrate themethodology with rigorous uncertainty quantification, while a real-world cloud imaged by AirMSPI is processedto illustrate the new remote sensing capability

Schechner, Yoav Y.↗

Image-Based Fracture Surface Defect Characterization Methods for Additively Manufactured Ti-6Al-4V Tested in Fatigue

Abstract Fatigue initiation in additively manufactured samples/parts often occurs at processed-induced defects such as lack-of-fusion (LoF), keyhole, or other morphological/microstructural defects that have unique characteristics and measurable qualities. Attempts at identifying and minimizing such defects have utilized optimized processing conditions along with in situ and ex situ characterization that includes metallography and/or X-ray computed tomography (XCT). This paper highlights the benefits of using fracture surface analyses to detect and quantify defects that may not be detected by metallography/XCT due to sectioning and resolution limits. In addition to using manual quantification of fatigue initiating LoF and keyhole defects on fracture surfaces, image-based machine learning using convolutional neural networks such as U-Net were also used to automate the process. Statistical analyses were used to identify the extreme cases of defects that initiated and accelerated fatigue and to model the distribution of defect size and shape characteristics to distinguish the type of defect. Initial results show agreement between trained machine learning models and ground truth data in defect segmentation, and the distributions of defect characteristics are distinguishable to particular process-induced defect types.

Materials Science↗

U.S. Solar Photovoltaic System and Energy Storage Cost Benchmark: Q1 2021 [Slides]

Our benchmarking method includes bottom-up accounting for all necessary system and projectdevelopment costs incurred when installing residential, commercial, and utility-scale systems, and it models the Q1 2021 costs for such systems, excluding any previous supply agreements or contracts. In general, we attempt to model the typical installation techniques and business operations from an installed-cost perspective, and our benchmarks are national averages. The residential PV-only benchmark and the commercial rooftop PV-only benchmark average costs by inverter type (string inverters, string inverters with direct current [DC] optimizers, and microinverters), weighted by inverter market share. The residential PV-only benchmark is further averaged across small installer and national integrator business models, weighted by market share. All benchmarks include variations—accounting for the differences in size, equipment, and operational use (particularly for storage)—that are currently available in the marketplace. All benchmarks assume nonunionized construction labor; residential and commercial PV systems predominantly use nonunionized labor, and the type of labor required for utility-scale PV systems depends heavily on the development process. All benchmarks assume the use of monofacial monocrystalline silicon PV modules. Benchmarks using cadmium telluride or bifacial modules could result in significantly different results. The data in this annual benchmark report inform the formulation of and track progress toward the U.S. Department of Energy (DOE) Solar Energy Technologies Office’s Government Performance and Reporting Act cost targets.

14 SOLAR ENERGY↗

Three-Dimensional High-Order Spectral Finite Volume Method for Unstructured Grids

Many areas require a very high-order accurate numerical solution of conservation laws for complex shapes. This paper deals with the extension to three dimensions of the Spectral Finite Volume (SV) method for unstructured grids, which was developed to solve such problems. We first summarize the limitations of traditional methods such as finite-difference, and finite-volume for both structured and unstructured grids. We then describe the basic formulation of the spectral finite volume method. What distinguishes the SV method from conventional high-order finite-volume methods for unstructured triangular or tetrahedral grids is the data reconstruction. Instead of using a large stencil of neighboring cells to perform a high-order reconstruction, the stencil is constructed by partitioning each grid cell, called a spectral volume (SV), into 'structured' sub-cells, called control volumes (CVs). One can show that if all the SV cells are partitioned into polygonal or polyhedral CV sub-cells in a geometrically similar manner, the reconstructions for all the SVs become universal, irrespective of their shapes, sizes, orientations, or locations. It follows that the reconstruction is reduced to a weighted sum of unknowns involving just a few simple adds and multiplies, and those weights are universal and can be pre-determined once for all. The method is thus very efficient, accurate, and yet geometrically flexible. The most critical part of the SV method is the partitioning of the SV into CVs. In this paper we present the partitioning of a tetrahedral SV into polyhedral CVs with one free parameter for polynomial reconstructions up to degree of precision five. (Note that the order of accuracy of the method is one order higher than the reconstruction degree of precision.) The free parameter will be determined by minimizing the Lebesgue constant of the reconstruction matrix or similar criteria to obtain optimized partitions. The details of an efficient, parallelizable code to solve three-dimensional problems for any order of accuracy are then presented. Important aspects of the data structure are discussed. Comparisons with the Discontinuous Galerkin (DG) method are made. Numerical examples for wave propagation problems are presented.

Liu, Yen↗

Multidimensional sum-up rounding for integer programming in optimal experimental design

Here we present a numerical method for approximating the solution of convex integer programs stemming from optimal experimental design. The statistical setup consists of a Bayesian framework for linear inverse problems for which the direct relationship is described by a discretized integral equation. Specifically, we aim to find the optimal sensor placement from a set of candidate locations where data are collected with measurement error. The convex objective function is a measure of the uncertainty, described here by the trace or log-determinant of the posterior covariance matrix, for the discretized linear inverse problem solution. The resulting convex integer program is relaxed, producing a lower bound. An upper bound is obtained by extending the sum-up rounding approach to multiple dimensions. For this extension, we analyze its accuracy as a function of the discretization mesh size for a rectangular domain. We show asymptotic optimality of the integer solution defining the upper bound for different experimental design criteria (A- and D-optimal), by proving the convergence to zero of the gap between the upper and lower bounds as the mesh size goes to zero. The technique is illustrated on a two-dimensional gravity surveying problem for both A-optimal and D-optimal sensor placement where our designs yield better results compared with a thresholding rounding approach.

97 MATHEMATICS AND COMPUTING↗

Preface to the Special Issue on TOUGH Symposium 2015

The TOUGH Symposium 2015 was held in Berkeley, California, September 28-30, 2015. The TOUGH family of codes, developed at the Energy Geosciences Division of Lawrence Berkeley National Laboratory (LBNL), is a suite of computer programs for the simulation of multiphase and multicomponent fluid and heat flows in porous and fractured media with applications in many geosciences fields, such as geothermal reservoir engineering, nuclear waste disposal, geological carbon sequestration, oil and gas reservoirs, gas hydrate research, vadose zone hydrology and environmental remediation. Since the first release in the 1980s, many modifications and enhancements have been continuously made to TOUGH and its various descendants (iTOUGH2, TOUGH+, TOUGH-MP, TOUGHREACT, TOUGH+HYDRATE, TMVOC...), at LBNL and elsewhere. Today, these codes are used worldwide in academia, government organizations and private companies in problems involving coupled hydrological, thermal, biogeochemical and geomechanical processes. The Symposia, organized every 2-3 years, bring together developers and users for an open exchange on recent code enhancements and applications. In 2015, the Symposium was attended by one hundred participants, representing thirty-four nationalities. This Special Issue in Computers & Geosciences gathers extended versions of selected Symposium proceedings related to (i) recent enhancements to the TOUGH family of codes and (ii) coupled flow and geomechanics processes modeling. In this special issue, a paper by Jung et al. provides a new base version of TOUGH, TOUGH3. This latest version addresses the computational robustness and efficiency needed for the increasing complexity of the simulated processes and the growing size of model domains. Moreover, it consolidates the serial and parallel versions into a single code, hence, inconsistencies between different versions are less likely to occur, and code maintenance and development become more efficient. Finsterle et al. present a review of the capabilities of iTOUGH2 and illustrate the workflow of an integrated simulation-optimization framework. Liu et al. present an approach to reduce the computational cost of performing Bayesian inverse modeling and demonstrate their approach using a synthetic experiment simulated with TOUGH2. Regarding the mesh generation process, the paper by Doughty presents a generalization of the grid-generation algorithm embedded in TOUGH2 (MESHMAKER) to create one-column grids with fractal dimension, useful for representing flow through fractures or highly heterogeneous media with fractal geometry, and also for inverse methods. Sentís and Gable present a module to interface the open source code Lagrit with TOUGH2, that assists in the processes of mesh generation and model setup, and that can be particularly useful for complex geometries and large models. Bonduà et al. present a pre-processing tool (VORO2MESH) that features a full 3D Voronoi approach for structured and unstructured grids, and an enhanced post-processor (TOUGH2Viewer) for the visualization of 3D Voronoi grids. The literature review shows that coupled fluid flow and geomechanics has gained increasing attention in the last years in many geosciences fields. In this context, several codes of the TOUGH family have been successfully coupled with geomechanics software. The paper by Rutqvist presents a review of some of these TOUGH-based geomechanics models, of which the TOUGH-FLAC simulator – presented for the first time in the TOUGH Symposium 2003 – is well-known worldwide and has been used in a large variety of applications, encompassing the application domains of the TOUGH codes. Blanco-Martín et al. present an extension of TOUGH-FLAC to the finite strain framework, motivated by the existence of large strains associated with rock salt deformation in the context of heat-generating nuclear waste disposal. Following a paper published in the Special Issue of the TOUGH Symposium 2012 in this journal, Kim et al. present the current status of the TOUGH-RSBN simulator for coupled hydro-mechanical modeling of hydraulic fracturing using a discrete fracture network approach, and present some validation and demonstration cases. Rinaldi and Nespoli present TOUGH-SEED, an injection-induced seismicity modeling approach using TOUGH2 and a geomechanics stochastic model, and apply it to the Basel EGS project. Finally, Rinaldi et al. use the PEST protocol implemented in iTOUGH2, combined with TOUGH-FLAC as the forward model, to perform inverse modeling for the In Salah CO2 demonstration site in Algeria. Using pore pressures and InSAR displacements as observations, this approach allows for a multi-physics joint inversion and takes advantage of the inverse capabilities of iTOUGH2 (parameter estimation, sensitivity analysis, uncertainty estimation …), applied to coupled fluid flow and geomechanics. On behalf of the members of the TOUGH Symposium 2015 Organizing Committee, I hope that this collection of papers will provide the readers of Computers & Geosciences with a recent view of the capabilities of the TOUGH family of codes, as well as with current modeling research domains in the geosciences. Last but not least, I would like to express my gratitude to all the reviewers who kindly contributed to this Special Issue, as well as the Journal staff who have made this publication possible.

99 GENERAL AND MISCELLANEOUS↗