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At least 1,099 records · Page 61

All sources NASA NTRS DOE OSTI

NASA NTRS2015

Effects of Atomic-Scale Structure on the Fracture Properties of Amorphous Carbon - Carbon Nanotube Composites

The fracture of carbon materials is a complex process, the understanding of which is critical to the development of next generation high performance materials. While quantum mechanical (QM) calculations are the most accurate way to model fracture, the fracture behavior of many carbon-based composite engineering materials, such as carbon nanotube (CNT) composites, is a multi-scale process that occurs on time and length scales beyond the practical limitations of QM methods. The Reax Force Field (ReaxFF) is capable of predicting mechanical properties involving strong deformation, bond breaking and bond formation in the classical molecular dynamics framework. This has been achieved by adding to the potential energy function a bond-order term that varies continuously with distance. The use of an empirical bond order potential, such as ReaxFF, enables the simulation of failure in molecular systems that are several orders of magnitude larger than would be possible in QM techniques. In this work, the fracture behavior of an amorphous carbon (AC) matrix reinforced with CNTs was modeled using molecular dynamics with the ReaxFF reactive forcefield. Care was taken to select the appropriate simulation parameters, which can be different from those required when using traditional fixed-bond force fields. The effect of CNT arrangement was investigated with three systems: a single-wall nanotube (SWNT) array, a multi-wall nanotube (MWNT) array, and a SWNT bundle system. For each arrangement, covalent bonds are added between the CNTs and AC, with crosslink fractions ranging from 0-25% of the interfacial CNT atoms. The SWNT and MWNT array systems represent ideal cases with evenly spaced CNTs; the SWNT bundle system represents a more realistic case because, in practice, van der Waals interactions lead to the agglomeration of CNTs into bundles. The simulation results will serve as guidance in setting experimental processing conditions to optimize the mechanical properties of CNT composites.

Jensen, Benjamin D.↗

DOE OSTI2016

Pellet cladding mechanical interaction modeling using the extended finite element method

Fracturing of light water reactor (LWR) UO{sub 2} pellet has multiple important effects on fuel performance. One particularly important concern is that cracks in the fuel cause elevated stresses in the cladding when pellet cladding mechanical interaction (PCMI) occurs. The extended finite element method (XFEM) is a powerful method to represent arbitrary propagating discrete cracks in finite element models. The use of XFEM has been previously demonstrated for modeling propagating discrete cracks in the BISON fuel performance code. This paper demonstrates an initial application of XFEM to model stress concentrations induced by fuel fractures at the fuel/cladding interface during PCMI. This is demonstrated on a study of a pre-defined stationary crack in a 2D cross-section model of a LWR fuel rod. The results from a model with a discrete crack defined with XFEM compare favorably with the results from a model with the same crack geometry defined in the finite element mesh. This study focuses on benchmarking the use of XFEM for PCMI modeling with a stationary crack, but this technique will be readily extended in the future to consider PCMI in conjunction with arbitrary, physics-driven crack propagation. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

NASA NTRS2007

A Selection of Composites Simulation Practices at NASA Langley Research Center

One of the major areas of study at NASA Langley Research Center is the development of technologies that support the use of advanced composite materials in aerospace applications. Amongst the supporting technologies are analysis tools used to simulate the behavior of these materials. This presentation will discuss a number of examples of analysis tools and simulation practices conducted at NASA Langley. The presentation will include examples of damage tolerance analyses for both interlaminar and intralaminar failure modes. Tools for modeling interlaminar failure modes include fracture mechanics and cohesive methods, whilst tools for modeling intralaminar failure involve the development of various progressive failure analyses. Other examples of analyses developed at NASA Langley include a thermo-mechanical model of an orthotropic material and the simulation of delamination growth in z-pin reinforced laminates.

Ratcliffe, James G.↗

NASA NTRS1973

Flight monitor for jet engine disk cracks and the use of critical length criterion of fracture mechanics

A disk crack detector is discussed which is intended to operate under flight conditions. It monitors the disk rim for surface cracks emanating from the blade root interface. An eddy current type sensor, with a remotely located capacitance/conductance bridge and signal analyzer, can reliably detect a simulated crack 3 mm long. The sensor was tested on a spinning turbine disk at 540 C. Tests indicate that the system is useful at disk rim velocities to 460 m/sec. By using fracture mechanics, it is shown for Inconel 718 th at a crack operating under a rim stress of 34 x ten to the 7th power N/sqm has a critical length of 18 mm.

Barranger, J. P.↗

DOE OSTI2016

Simulation of Flow in Multi-Scale Porous Media Using the Lattice Boltzmann Method on Quadtree Grids

Abstract The unified lattice Boltzmann model is extended to the quadtree grids for simulation of fluid flow through porous media. The unified lattice Boltzmann model is capable of simulating flow in porous media at various scales or in systems where multiple length scales coexist. The quadtree grid is able to provide a high-resolution approximation to complex geometries, with great flexibility to control local grid density. The combination of the unified lattice Boltzmann model and the quadtree grids results in an efficient numerical model for calculating permeability of multi-scale porous media. The model is used for permeability calculation for three systems, including a fractured system used in a previous study, a Voronoi tessellation system, and a computationally-generated pore structure of fractured shale. The results are compared with those obtained using the conventional lattice Boltzmann model or the unified lattice Boltzmann model on rectangular or uniform square grid. It is shown that the proposed model is an accurate and efficient tool for flow simulation in multi-scale porous media. In addition, for the fractured shale, the contribution of flow in matrix and fractures to the overall permeability of the fractured shale is studied systematically.

Earth Sciences↗

DOE OSTI2018

Deformation and Fracture in Complex-Shaped Energetic Particles

A new technical basis on the mechanics of energetic materials at the individual particle scale has been developed. Despite these particles being in most of our Sandia non-nuclear explosive components, we have historically lacked any understanding of particle behavior. Through the novel application of nanoidentation methods to single crystal films and single particles of energetic materials with complex shapes, discovery data has been collected elucidating phenomena of particle strength, elastic and plastic deformation, and fracture. This work specifically developed the experimental techniques and analysis methodologies to distill data into relationships suitable for future integration into particle level simulations of particle reassembly. This project utilized experimental facilities at CINT and the Explosive Components Facility to perform ex-situ and in-situ nanoidentation experiments with simultaneous scanning electron microscope (SEM) imaging. Data collected by an applied axial compressive load in either force-control or displacement-control was well represented by Hertzian contact theory for linear elastic materials. Particle fracture phenomenology was effectively modeled by an empirical damage model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2018

A Nanoindentation Study of the Plastic Deformation and Fracture Mechanisms in Single-Crystalline CaFe 2 As 2

In this paper, the plastic deformation and fracture mechanisms in single-crystalline CaFe 2 As 2 has been studied using nanoindentation and density functional theory simulations. CaFe 2 As 2 single crystals were grown in a Sn-flux, resulting in homogeneous and nearly defect-free crystals. Nanoindentation along the [001] direction produces strain bursts, radial cracking, and lateral cracking. Ideal cleavage simulations along the [001] and [100] directions using density functional theory calculations revealed that cleavage along the [001] direction requires a much lower stress than cleavage along the [100] direction. This strong anisotropy of cleavage strength implies that CaFe 2 As 2 has an atomic-scale layered structure, which typically exhibits lateral cracking during nanoindentation. This special layered structure results from weak atomic bonding between the (001) Ca and Fe 2 As 2 layers.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Evolution of planar fractures in limestone: The role of flow rate, mineral heterogeneity and local transport processes

In this study, the processes that affect the evolution of fracture geometry and reactive transport in limestone fractures were evaluated using an integrated experimental and modeling approach. Flow-through experiments were performed to investigate the alteration of three artificially made planar limestone fractures, which were exposed to HCl-acidified water flow (pH 3.8 ± 0.1) at three different rates. Reactive infiltration instability developed in the fractures because of small fracture aperture variations and naturally occurring heterogeneity in the rock, i.e., the presence of clay spots of higher porosity. The dissolution regime changed from conical to dominant and ramified wormhole with increasing flow rate, i.e., Péclet number. Maps of fracture aperture obtained from X-ray micro-tomography imaging, together with measurements of permeability and analyses of fluid chemistry, provided experimental constraints for modeling. Numerical simulations were performed using a 2.5D continuum reactive transport model to examine the development of flow patterns and the reactivity and permeability evolution over time, and to interrogate the impacts of fluid reactivity, mineral heterogeneity and diffusive boundary layer. The modeling results showed that fracture alteration is very sensitive to initial fluid reactivity and mineralogical heterogeneity, in addition to flow rate. Finally, the changes of local transport processes during fracture opening also affected the reactivity of the fractured samples.

58 GEOSCIENCES↗

DOE OSTI2022

Oil Recovery Prediction for Polymer Flood Field Test of Heavy Oil on Alaska North Slope Via Machine Assisted Reservoir Simulation

The first ever polymer flood field pilot to enhance the recovery of heavy oils on the Alaska North Slope is ongoing. This study constructs and calibrates a reservoir simulation model to predict the oil recovery performance of the pilot through machine-assisted reservoir simulation techniques. To replicate the early water breakthrough observed during waterflooding, transmissibility contrasts are introduced into the simulation model, forcing viscous fingering effects. In the ensuing polymer flood, these transmissibility contrasts are reduced to replicate the restoration of injection conformance during polymer flooding, as indicated by a significant decrease in water cut. Later, transmissibility contrasts are reinstated to replicate a water surge event observed in one of the producing wells during polymer flooding. This event may represent decreased injection conformance from fracture overextension; its anticipated occurrence in the other production well is included in the final forecast. The definition of polymer retention in the simulator incorporates the tailing effect reported in laboratory studies; this tailing effect is useful to the simultaneous history match of producing water cut and produced polymer concentration. The top 24 best-matched simulation models produced at each stage of the history matching process are used to forecast oil recovery. The final forecast clearly demonstrates that polymer flooding significantly increases the heavy oil production for this field pilot compared to waterflooding alone. This exercise displays that a simulation model is only valid for prediction if flow behavior in the reservoir remains consistent with that observed during the history matched period. Critically, this means that a simulation model calibrated for waterflooding may not fully capture the benefits of an enhanced oil recovery process such as polymer flooding. Therefore, caution is recommended in using basic waterflood simulation models to scope potential enhanced oil recovery projects.

Keith, Cody Douglas↗

DOE OSTI2013

Parallel adaptive fluid-structure interaction simulation of explosions impacting on building structures

We pursue a level set approach to couple an Eulerian shock-capturing fluid solver with space-time refinement to an explicit solid dynamics solver for large deformations and fracture. The coupling algorithms considering recursively finer fluid time steps as well as overlapping solver updates are discussed in detail. Our ideas are implemented in the AMROC adaptive fluid solver framework and are used for effective fluid-structure coupling to the general purpose solid dynamics code DYNA3D. Beside simulations verifying the coupled fluid-structure solver and assessing its parallel scalability, the detailed structural analysis of a reinforced concrete column under blast loading and the simulation of a prototypical blast explosion in a realistic multistory building are presented.

Deiterding, Ralf↗

NASA NTRS2017

Sensitivity Analysis of the Bone Fracture Risk Model

Introduction: The probability of bone fracture during and after spaceflight is quantified to aid in mission planning, to determine required astronaut fitness standards and training requirements and to inform countermeasure research and design. Probability is quantified with a probabilistic modeling approach where distributions of model parameter values, instead of single deterministic values, capture the parameter variability within the astronaut population and fracture predictions are probability distributions with a mean value and an associated uncertainty. Because of this uncertainty, the model in its current state cannot discern an effect of countermeasures on fracture probability, for example between use and non-use of bisphosphonates or between spaceflight exercise performed with the Advanced Resistive Exercise Device (ARED) or on devices prior to installation of ARED on the International Space Station. This is thought to be due to the inability to measure key contributors to bone strength, for example, geometry and volumetric distributions of bone mass, with areal bone mineral density (BMD) measurement techniques. To further the applicability of model, we performed a parameter sensitivity study aimed at identifying those parameter uncertainties that most effect the model forecasts in order to determine what areas of the model needed enhancements for reducing uncertainty. Methods: The bone fracture risk model (BFxRM), originally published in (Nelson et al) is a probabilistic model that can assess the risk of astronaut bone fracture. This is accomplished by utilizing biomechanical models to assess the applied loads; utilizing models of spaceflight BMD loss in at-risk skeletal locations; quantifying bone strength through a relationship between areal BMD and bone failure load; and relating fracture risk index (FRI), the ratio of applied load to bone strength, to fracture probability. There are many factors associated with these calculations including environmental factors, factors associated with the fall event, mass and anthropometric values of the astronaut, BMD characteristics, characteristics of the relationship between BMD and bone strength and bone fracture characteristics. The uncertainty in these factors is captured through the use of parameter distributions and the fracture predictions are probability distributions with a mean value and an associated uncertainty. To determine parameter sensitivity, a correlation coefficient is found between the sample set of each model parameter and the calculated fracture probabilities. Each parameters contribution to the variance is found by squaring the correlation coefficients, dividing by the sum of the squared correlation coefficients, and multiplying by 100. Results: Sensitivity analyses of BFxRM simulations of preflight, 0 days post-flight and 365 days post-flight falls onto the hip revealed a subset of the twelve factors within the model which cause the most variation in the fracture predictions. These factors include the spring constant used in the hip biomechanical model, the midpoint FRI parameter within the equation used to convert FRI to fracture probability and preflight BMD values. Future work: Plans are underway to update the BFxRM by incorporating bone strength information from finite element models (FEM) into the bone strength portion of the BFxRM. Also, FEM bone strength information along with fracture outcome data will be incorporated into the FRI to fracture probability.

mathematical models↗

DOE OSTI2021

Linear and Nonlinear Solvers for Simulating Multiphase Flow within Large-Scale Engineered Subsurface Systems

Simulation of multiphase flow in the subsurface is well-known to be computationally challenging. While there have been many studies that have explored approaches to overcoming these challenges, they often utilize relatively simple case studies. In this paper, we focus on the unique numerical challenges posed by modeling large-scale engineered subsurface systems, characterized by discrete features embedded in a heterogeneous natural subsurface setting. The man-made features such as shafts, tunnels, and barriers often cause multiple challenges in modeling the domain for multiphase porous media flow. This flow scenario can have a wide range of applications such as nuclear waste repositories, enhanced recovery of a petroleum reservoir, geothermal engineering, and carbon sequestration. An example of these severe numerical challenges is the case of performance assessment (PA) for Waste Isolation Pilot Plant (WIPP), the only operating deep geological repository in the US, which simulates extreme material properties of bedded salt rock formation and extreme contrast due to open excavation next to the formation. The models have extremes not only of permeability and porosity but also of the constitutive models needed for multiphase flow; additionally, they have process models like salt creep closure reducing porosity over time, fracturing in clay and anhydrite interbeds of the bedded salt, gas generation from the waste materials, and unintentional human borehole intrusions in some scenarios. Numerical simulations require the solution of coupled systems of nonlinear PDEs; in our work, we use the open-source simulator PFLOTRAN which is based on Finite Volume discretization. The solution of the nonlinear equations requires use of the Newton-Raphson iteration at each time step, which entails the solution of the linearized Jacobian system at each iteration. The effects of all the processes (i.e., large number of unknowns, highly nonlinear constitutive relations, large contrasts in material properties in short distances) lead to an ill-conditioned Jacobian matrix that severely challenges traditional linear solver, i.e., stabilized biconjugate gradient with block Jacobi incomplete LU preconditioner (BCGS-ILU) leading to non-convergence for traditional Newton-Raphson nonlinear solver causing unacceptably long computation time for each model. This paper presents linear solvers such as constrained pressure residual (CPR) two-stage preconditioner with alternate-block-factorization (ABF) and quasi- implicit pressure and explicit saturation (QIMPES) decouplers and flexible generalized residual solver (FGMRES). The new general-purpose nonlinear solver, Newton trust-region dogleg Cauchy (NTRDC), is also introduced to resolve extreme nonlinearities in the models. We demonstrate the effectiveness of each method relative to the default BCGS-Newton solver. The two best cases had nearly 50 times speed-up and achieved completion of a simulation in 14 hours that never completed due to non-convergence with the default solver. We also investigate the strong scalability of each method and discuss some of the deficiencies found for Block Jacobi preconditioner using parallel domain decomposition, and node packing effects of modern processor architecture.

Preconditioner, Nonlinear, Porous media, Multiphas↗

DOE OSTI2023

Creep Properties of Shale and Predicted Impact on Proppant Embedment for the Caney Shale, Oklahoma

The Caney shale is an emerging hydrocarbon play located in southwest Oklahoma, USA. Within the Caney shale exist facies which were initially dubbed “reservoir” and “ductile” based on evaluation of well logging data. While past work has shown the distinction of “brittle” and “ductile” is not mechanically justifiable according to formal definitions, here the current work shows some important differences between nominally ductile and reservoir zones. First, the “ductile” zones are more clay rich and have textural differences which can be expected to lead to differences in mechanical properties. One important impact of these differences is observed in triaxial creep experiments showing the “ductile” zones are more prone to creep deformation. Numerical simulations predict the “reservoir” zones will experience very little proppant embedment due to creep deformation of hydraulic fractures around proppant particles. On the other hand, “ductile” zones can be expected to undergo creep-driven proppant embedment leading to loss of fracture aperture ranging up to 100% loss, depending upon the spatial density of the proppant distribution. Hence, this research shows the identification of nominally “ductile” zones from well logs, while a misnomer, can be useful in finding clay-rich, creep-prone zones which will be the most prone to proppant embedment and hence vulnerable to greater production decline over time.

58 GEOSCIENCES↗

DOE OSTI2022

Deformation and Fracture Behaviors of Cylindrical Battery Shell During Thermal Runaway

Thermal runaway is one of the catastrophic failure modes of lithium-ion cells. During thermal runaway in cylindrical cells, sidewall shell rupture has been identified as a contributing factor for thermal runaway propagation in battery packs. Herein, the deformation and fracture behaviors of the battery shell during thermal runaway are investigated based on in-situ and ex-situ characterization as well as physics-based modeling. The deformation and fracture modes of the battery shell with/without Carbon Fiber Reinforced Polymer (CFRP) sleeves are identified. In the simulation, the strain introduced by thermal expansion of the system is considered, as well as the thermal and strain rate effects on the plastic stage. The final cell shell modeling is validated by cell thermal runaway tests. Results reveal the quantitative relation between shell deformation behaviors and the pressure and temperature distribution. Both the experiment and model demonstrate the effectiveness of adding a tight-fitting CFRP sleeve around the cell in limiting the side-wall rupture of the shell. The use of CFRP tubes introduces a novel phenomenon in the context of uneven temperature distribution. Results shed light on the mechanistic analysis of a cell side-wall rupture during thermal runaway and provide essential guidance for the next-generation safe battery design.

battery casing↗

DOE OSTI2022

Water Weakening of Calcium Oxide

Chemomechanical processes such as water weakening can control the permeability and deformation of rocks and manmade materials. Here, atomistic modeling and nanomechanical experiments were used to identify molecular origins of chemomechanical effects in calcium oxide (CaO) and its effect on observed elastic, plastic, and brittle deformation. Classical molecular dynamics simulations with the bond order-based reactive force-field ReaxFF were used to assess brittle fracture. In the presence of water, CaO fractured earlier and more often during quasi-static loading, with a calculated reduction in fracture toughness of ~80% associated with changes in the stress distribution around the crack tip. Experimentally, elastic and plastic deformation of CaO surfaces exposed to water was assessed experimentally using in situ liquid nanoindentation. Nanoindentation showed that following exposure to water, the contact hardness decreased by 1–2 orders of magnitude and decreased the modulus by 2–3 orders of magnitude due to surface hydroxylation. Furthermore, the strong chemomechanical effects on the mechanical processes in CaO suggests that minerals with similar structures may exhibit comparable effects, influencing the stability of cements and geomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2018

Use of Fiber Optic Distributed Acoustic Sensing for Measuring Hydraulic Connectivity for Geothermal Applications

Advanced methods in reservoir characterization are required to effectively harness geothermal energy from fractured high-temperature, high-pressure crystalline rock. It is critical to determine sufficient fluid connection between injection and production wells to enhance sweep efficiency and optimize the lifetime of the reservoir. A technology is needed that can monitor hydraulic connectivity in real time at any depth in the reservoir, throughout the lifetime of the reservoir. GeoMechanics Technologies, in collaboration with California State University, Long Beach (CSULB) and Silixa LLC, working in cooperation with the Department of Energy, Small Business Innovation Research through DOE SBIR Grant No: DE-SC-0017744, conducted a Phase I research project to investigate the use of fiber optic Distributed Acoustic Sensing (DAS) to improve geothermal reservoir characterization. Fiber optic DAS technology uses inter-well pressure sensing in response to periodic injection to determine hydraulic connectivity in fractured geothermal reservoirs. Fiber optic technology is capable of withstanding high temperatures and pressures typical of geothermal reservoirs. This tool would provide nearly continuous pressure monitoring along the length of the wellbore, providing knowledge into hydraulic pathways even where perforations do not exist. Real-time hydraulic monitoring can be performed without interrupting normal field operations. Also, measurements can be obtained throughout the lifetime of the well, ideally accounting for any changes in operations or reservoir configurations or thermally induced changes in permeability. The objective of this research effort was to develop and document an innovative tool that can be used for geothermal reservoir characterization. GeoMechanics Technologies and partners investigated and documented the use of fiber optic DAS for measuring the hydromechanical response caused by fractures in a reservoir and how that correlates to reservoir connectivity. For this Phase I project, numerical simulations, laboratory testing, and a field demonstration were performed to further validate the effectiveness of DAS technology for detecting formation hydraulics. This report summarizes the project activities. The main significant findings are: 1. From the numerical simulations using conceptual models, it is concluded that a high permeability zone inside a reservoir shows a different strain pattern along vertical monitoring lines away from the injection, when inducing low frequency pressure pulses. 2. The order of magnitude of strain observed at a distance of 100 ft from the injection well ranged from nanostrain to microstrain. Such strains are detectable with DAS tools currently available to industry. 3. Laboratory experiments stressed the importance of cable design and layout in the field, making calibration on site necessary for each application individually. 4. Field comparison highlighted the operational conditions that play a role in adding noise to the DAS measurement, where temperature effects for this type of application are also considered as noise to the strain measurements. 5. The analyses conducted to date provide motivation for further research, development and application of this technology, combined with field testing.

15 GEOTHERMAL ENERGY↗

NASA NTRS1991

Saltation threshold detection in a wind tunnel by the measurement of the net electrostatic charge

The Mars surface wind tunnel (MARSWIT) is an open circuit wind tunnel used for aeolian studies and is located inside a large vacuum chamber allowing testing at Martian surface atmospheric pressure. Since direct access is not available to the tunnel during operation at low pressure, a remote method of saltation detection is needed. The bed is observed by means of closed circuit video, but it is often difficult to determine the initiation of threshold. The measurement by means of an electrometer of the net electric charge produced by the saltating particles has provided a reliable means of saltation threshold detection. Saltating particles become charged several ways, both in wind tunnels and in a natural environment. The most significant of these methods are tribo-charging and contact charging, which always occur. Fracture charging may also occur under the high velocities associated with particle transport on Mars or under simulated Martian conditions. Detection in MARSWIT is achieved by allowing the saltating particles to impinge on a planar conducting surface normal to the flow that is connected to ground through a Keithly electrometer. The signal from the electrometer is connected to a strip chart recorder along with the analog signal from the pitot tube transducer that is used to determine the wind velocity in the tunnel. Thus, a record of wind velocity and the initiation of particle saltation is conveniently displayed together. While both positive and negative charges are produced during saltation, this method measures only the net charge; thus the charge may be either positive or negative depending upon the particles being tested, the size and size distribution of the test material, and the wind velocity. This has proven to be a very trustworthy and sensitive method of saltation threshold detection, being especially useful with the smaller sized particles which are the most difficult to observe visually.

Leach, Rodman N.↗

DOE OSTI2016

TOUGH3 v1.0

TOUGH3 V1.0 capabilities to simulate multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media, with applications geosciences and reservoir engineering and other application areas. TOUGH3 V1.0 supports a number of different combinations of fluids and components (updated equation-of-state (EOS) modules from previous versions of TOUGH, including EOS1, EOS2, EOS3, EOS4, EOS5, EOS7, EOS7R, EOS7C, EOS7CA, EOS8, EOS9, EWASG, TMVOC, ECO2N, and ECO2M). This upgrade includes (a) expanded list of updated equation-of-state (EOS) modules, (b) new hysteresis models, (c) new implementation of parallel and solver functionalities, (d) new linear solver options based on PETSc libraries, (e) new automatic build system that automatically downloads and builds third-party libraries and TOUGH3, (f) new printout in CSV format, (g) dynamic memory allocation, (h) various user features, and (i) bug fixes.

PAU, GEORGE↗