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At least 1,027 records · Page 57
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

A consistent prescription of stratospheric aerosol for both radiation and chemistry in the Community Earth System Model (CESM1)

Here we describe an updated parameterization for prescribing stratospheric aerosol in the National Center for Atmospheric Research (NCAR) Community Earth System Model (CESM1). The need for a new parameterization is motivated by the poor response of the CESM1 (formerly referred to as the Community Climate System Model, version 4, CCSM4) simulations contributed to the Coupled Model Intercomparison Project 5 (CMIP5) to colossal volcanic perturbations to the stratospheric aerosol layer (such as the 1991 Pinatubo eruption or the 1883 Krakatau eruption) in comparison to observations. In particular, the scheme used in the CMIP5 simulations by CESM1 simulated a global mean surface temperature decrease that was inconsistent with the GISS Surface Temperature Analysis (GISTEMP), NOAA's National Climatic Data Center, and the Hadley Centre of the UK Met Office (HADCRUT4). The new parameterization takes advantage of recent improvements in historical stratospheric aerosol databases to allow for variations in both the mass loading and size of the prescribed aerosol. An ensemble of simulations utilizing the old and new schemes shows CESM1's improved response to the 1991 Pinatubo eruption. Most significantly, the new scheme more accurately simulates the temperature response of the stratosphere due to local aerosol heating. Here, results also indicate that the new scheme decreases the global mean temperature response to the 1991 Pinatubo eruption by half of the observed temperature change, and modelled climate variability precludes statements as to the significance of this change.

58 GEOSCIENCES↗
DOE OSTI2018

Shallow-to-Deep Transition of Continental Moist Convection: Cold Pools, Surface Fluxes, and Mesoscale Organization

Large-eddy simulation is used to investigate the effects of cold pools driven by rain evaporation on the shallow-to-deep convection transition over land. The physically consistent methodologies are developed to obtain a time-dependent reference ensemble without cold pools and to apply interactive surface heat fluxes without modeling of surface energy and water budgets. Three different simulation ensembles are contrasted. The reference ensemble, in the spirit of one-dimensional single-column models, eliminates cold pools by horizontally homogenizing negative buoyancy production due to rain evaporation. The additional ensembles complement the reference cold-pool-free ensemble by including cold pools and by applying either interactive or prescribed surface fluxes. Contrasting these ensembles suggests possible improvements of convection parameterization in large-scale models of weather and climate. Without cold pools, the reference ensemble preserves key features of buoyancy-driven cellular convection associated with a field of convective plumes, as assumed in a typical convection parameterization. With cold pools, a significant enhancement of surface heat and moisture fluxes and about an hour delay of their daily maximum is simulated. Cold pools enhance near-surface temperature and moisture standard deviations as well as maxima of the near-surface updraft velocity. They also lead to the reduction of cloud lateral entrainment, deeper vertical development of the cloud layer, and a few-times-larger accumulated surface precipitation. Interactive surface fluxes provide a damping mechanism that noticeably suppresses all these effects. Perhaps surprisingly, cold pools do not significantly change the cloud-base convective mass flux that approximately follows the evolution of surface heat fluxes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Control of hybrid boosting in highly diluted internal combustion engines

A novel hybrid system enabling both flexible supercharging and limited torque assist is studied to mitigate transient response challenges of a turbocharged spark ignition engine equipped with low pressure exhaust gas recirculation. The hybrid system, called a power split supercharger (SC), is configured with a planetary gear set that splits the supercharging power between a small low-voltage electric motor and the engine crankshaft. The air path controller relies on the coordination of four actuators on the engine side and three low-level actuators on the hybrid boosting device. A decentralized control scheme is used in this work, in which the master–slave structure of the boost pressure controller decreases the turbo-lag associated with exhaust gas recirculation, while minimizing the SC operation for fuel economy. A vector reference governor is used to prevent compressor surge during engine tip-outs. In addition, the desired intake manifold pressure is modified to provide time for evacuating the exhaust gas recirculation and avoiding misfires when transitioning to low load, while the hybrid capability of the power split SC is used to recuperate the unwanted generated power. All controllers are validated on both a mean value engine model and a high-fidelity engine model. Practical challenges of implementing the vector reference governor to the highly nonlinear engine air path with pressure pulsations originating from the engine reciprocation are discussed and some solutions are proposed.

Engineering↗
DOE OSTI2020

Fallout Cloud Regimes

The U.S. Department of Defense (DOD), Department of Energy (DOE), and other organizations maintain operational nuclear explosion and atmospheric dispersion models to provide critical guidance on the expected effects of an accidental or deliberate explosion of a nuclear weapon (in this paper simply referred to as “device”). To be effective, these models must represent, as accurately as possible, the complex interactions of the blast, fire, and residual radiological hazards with the environment and population. One hundred atmospheric nuclear tests that form the basis for many models were conducted at the Nevada Test Site (NTS) (now referred to as the Nevada Nuclear Security Site, NNSS) in a dry desert environment. Other environments should be studied, but have less data available and are beyond the scope of the work presented in this paper. The debris clouds produced by the NTS tests, frequently called “mushroom clouds,” are familiar, with common structural elements such as a buoyant cap connected to a skirt of raised dust at the desert surface by a thin, dirt-filled stem. The film scanning project at LLNL has investigated historical film records of nuclear weapons tests. Here, we summarize findings showing that the mushroom cloud behavior for historic U.S. tests conducted in Nevada, has similar characteristics based on the distance of the device from the ground surface or Height of Burst (HOB), scaled by the energy release, or yield, of the device. This scaled height is referred to as the scaled-height-of-burst (SHOB). The findings discussed below show that mushroom clouds look and behave similarly when detonated at the same SHOB. The amount of residual radiation that is produced by a nuclear detonation is proportional to the yield. But, the amount of that residual radiation that actually becomes local fallout is strongly dependent on the SHOB and the type of surface over which the detonation occurs. In order to develop a more comprehensive model that predicts the fraction of the residual radiation that becomes local fallout, it is convenient to define a series of regimes based on SHOB values in which all detonations that occur within a given regime can be modeled using the same algorithms. The purpose of this paper is to provide a framework for defining different regimes, and, in a qualitative way, a basic understanding of the fundamental characteristics of each of these regimes.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2021

International collaboration in disposal research: comparative modeling of coupled processes in the DECOVALEX project

Abstract. This presentation gives an overview of an international research collaboration for advancing the understanding and modeling of coupled thermo-hydro-mechanical-chemical (THMC) processes in geological systems. The creation of the international DECOVALEX project, now running for more than 25 years, was motivated by the recognition that prediction of these coupled effects is an essential part of the performance and safety assessment of geologic disposal systems for radioactive waste and spent nuclear fuel. DECOVALEX emphasizes joint analysis and comparative modeling of state-of-the-art field and laboratory experiments, across a range of host rock options and repository designs. Participating research teams are from radioactive waste management organizations, national research institutes, regulatory agencies, universities, and consulting groups, providing a wide range of perspectives and solutions to these complex problems. The presentation provides examples of the research contributions made collectively in past DECOVALEX tasks and also touches on the unique modeling challenges tackled in the ongoing project phase, referred to as DECOVALEX-2023. The current phase comprises 17 partner organizations, about 50 modeling teams, and 7 modeling tasks, which cover a broad portfolio from fundamental studies on gas migration to full-scale in situ heater experiments in different host rocks to performance assessment studies. Together, these examples illustrate that the insight and scientific knowledge gained within the DECOVALEX project would not have been possible if one group had studied these complex THMC modeling challenges alone rather than within a truly collaborative setting.

Birkholzer, Jens T.↗
DOE OSTI2018

Towards a theory of economic value for modeling and simulation: incremental cost of parallel simulation (wip)

A useful perspective on the economic value of simulation in engineering comes from considering the role simulation plays in constructing a system. We propose a conceptual model that combines an embryonic concept of the value of an information bit with cost estimation tools used in software engineering. The model provides an economic justification for the common conception that models should be built to address specific questions rather than to comprehensively represent a referent system. Extending these ideas, we offer a model for the incremental value of parallel execution to explain why simulation applications that take advantage of sophisticated parallel discrete event simulation tools form a relatively narrow niche despite the ubiquity of parallel computing hardware. The proposed model enables us to bring value of information criteria into model development and to make predictions about the future of parallel simulation applications.

Nutaro, James J↗
DOE OSTI2019

Effluent Management Facility Stack Monitor Qualification: Assessment with Surrogate Stacks

Sampling and monitoring at the Waste Treatment and Immobilization Plant (WTP) Effluent Management Facility (EMF) exhaust is required to meet the regulatory criteria that governs stacks that may exceed the 0.1-millirem per year threshold limit given in Title 40 of the Code of Federal Regulations, Part 61, National Emissions Standards for Hazardous Air Pollutants, Subpart H, National Emission Standard for Emissions of Radionuclides other than Radon from Department of Energy Facilities. As a result, the flow conditions and probe location must be within certain bounds as prescribed by the American National Standards Institute/Health Physics Society (ANSI/HPS) standard N13.1-1999. Compliance with the standard may be demonstrated by tests on the stack itself, or with a surrogate stack (i.e., a scale model or other geometrically similar stack). Pacific Northwest National Laboratory (PNNL) has performed scale model stack tests for 11 of the 20 emission points that are planned for the WTP. Additionally, PNNL has full scale stack results from Idaho National Laboratory and PNNL facility stacks to use as references. One or more WTP scale model stack results were expected to be appropriate as a surrogate stack to the EMF. This report describes the EMF stack monitoring location as well as an assessment of existing surrogate stacks used to qualify the EMF stack sampling location.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2020

Evaluating the Accuracy of Various Irradiance Models in Detecting Soiling of Irradiance Sensors

We evaluate the feasibility of using various clear-sky models or purchased satellite data for estimating the soiling of a reference cell irradiance sensor. We find results to be more accurate for models that consider local meteorological conditions. We conclude that given the data sets considered, and depending on the requirements of the data analyst, choosing to use purchased satellite irradiance data from Solargis to estimate the soiling of a reference cell sensor tends to yield more accurate results, although there are instances where a clear-sky model performs better. The SOLIS clear-sky model in PVLIB with variable P wat provided useful soiling results, implying that the general method of using a clear-sky model with local meteorological data may provide a low-cost tool for detecting soiling of irradiance sensors.

14 SOLAR ENERGY↗
DOE OSTI2010

Tools for Predicting Optical Damage on Inertial Confinement Fusion-Class Laser Systems

Operating a fusion-class laser to its full potential requires a balance of operating constraints. On the one hand, the total laser energy delivered must be high enough to give an acceptable probability for ignition success. On the other hand, the laser-induced optical damage levels must be low enough to be acceptably handled with the available infrastructure and budget for optics recycle. Our research goal was to develop the models, database structures, and algorithmic tools (which we collectively refer to as ''Loop Tools'') needed to successfully maintain this balance. Predictive models are needed to plan for and manage the impact of shot campaigns from proposal, to shot, and beyond, covering a time span of years. The cost of a proposed shot campaign must be determined from these models, and governance boards must decide, based on predictions, whether to incorporate a given campaign into the facility shot plan based upon available resources. Predictive models are often built on damage ''rules'' derived from small beam damage tests on small optics. These off-line studies vary the energy, pulse-shape and wavelength in order to understand how these variables influence the initiation of damage sites and how initiated damage sites can grow upon further exposure to UV light. It is essential to test these damage ''rules'' on full-scale optics exposed to the complex conditions of an integrated ICF-class laser system. Furthermore, monitoring damage of optics on an ICF-class laser system can help refine damage rules and aid in the development of new rules. Finally, we need to develop the algorithms and data base management tools for implementing these rules in the Loop Tools. The following highlights progress in the development of the loop tools and their implementation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

A comparison of Monte Carlo fission models for safeguards neutron coincidence counters

Monte Carlo simulation is a powerful tool used to model neutron coincidence detectors for international safeguards. The simulation has typically sampled properties such as the fission neutron multiplicity, energy, and direction, from independent probability density functions. However, multiplicity counters detect event-based neutron correlations and thus more accurate fission event modeling is needed. To respond to this need, the Fission Reaction Event Yield Algorithm (FREYA) and the Cascading Gamma-ray Multiplicity with Fission (CGMF) models were added in the newest version of MCNP, MCNP6.2. The models simulate individual fission events conserving momentum, energy, and angular momentum such that correlated particles are emitted. The effects of the new models on simulations of safeguards neutron coincidence counters were studied and compared to standard MCNP simulations. The MCNPX-PoliMi model was also included in the comparison. The properties of fission neutrons from safeguards relevant isotopes were compared to literature references. Then a hypothetical simplified detector was modeled to isolate the effects of specific differences between models. Experimental measurements from previous work were modeled and agreements were compared. Lastly, the probabilities of correlated events occurring in the experimental measurements were calculated with the different models. For example, the probability was calculated of detecting neutrons from both induced fission in uranium and spontaneous fission of Cf-252 in the same fission chain.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2010

Nanoimprinted Diffraction Gratings for Light Trapping in Crystal-Silicon Film Photovoltaics

Crystal-silicon (c-Si) film photovoltaics hold the promise of combining the advantages of state-of-the-art wafer-silicon technology with the scalability and the inherently much lower cost of thin-film solar technologies. In the thickness range of 2-20 μm very effective light trapping is essential to absorb sufficient red and near-infrared (NIR) light and reach targeted efficiencies of 16% 18%, as defined by the U.S. National Solar Technology Roadmap. One proposed method is diffractive light trapping, which, at least in certain wavelength ranges, can theoretically outperform light trapping through random scattering at a rough surface or interface. The goals of this project were (1) to develop a nanoimprinting process for a high-refractive-index dielectric material, (2) to fabricate diffraction gratings as back-reflectors using this material, and (3) to demonstrate for a 2c-Si film an improvement in AM1.5 photon absorption of at least 80% relative to single-pass absorption. We achieved goals (1) and (2). We developed a soft-imprint method for sol-based titanium dioxide precursor films (index range 2.3-2.4) and integrated imprinted films in thin-film silicon devices. We did not fully reach goal (3): depending on the model used for interpretation of the optical experimental data, AM1.5 photon absorption was improved by only 53% (coherent electromagnetic model) to 66% (non-coherent ray-tracing model). When compared to a metallized flat reference film (double-pass absorption), the improvement due to the grating is only 6%, if the (more conservative) electromagnetic model is used. Other important achievements from this project were: • We perfected an imprinting method for another ceramic material, aluminum oxide phosphate, which is index-matched with glass. • We tested diffractive light trapping at different incidence angles and found positive evidence for light trapping for angles up to 50°, although the light-trapping efficiency decreased with increasing incidence angle. • The extent of the trapped wavelength range scales with the refractive index of the dielectric material. The full benefit of a high refractive index, however, is only achieved if the dielectric layer underneath the grating layer (the residual layer) is sufficiently thick (several 100 nm). For a very thin residual layer, the light wave is predominantly localized in the underlying material during diffraction, and this material's refractive index then determines the trapping range. The (welcomed) consequence is that if this material is the silicon absorber layer, e.g. in a thin-film superstrate configuration, a very large trapping range can be achieved even if a low-index dielectric is used. We tested this directly through light-trapping experiments in glass plates using two different imprinted dielectric materials, titanium dioxide (index range 2.3-2.4) and aluminum oxide phosphate (index 1.5), with thick and thin residual layers. • We tested both copper and aluminum as low-cost reflector alternatives to silver on the grating back sides. In the relevant wavelength range above 650 nm, copper not only has the same high reflectance as silver, but the diffraction efficiency is also on par with silver. • A total of five scientific publications resulting from this work have either been published or are in preparation for submission (see Detailed Technical Report, below). Two conference presentations were given. In conclusion, we successfully developed nanoimprinting techniques for two ceramic precursor materials and tested diffractive light trapping in c-Si and nc-Si:H thin-film devices. The measured amount of light trapping did not fully reach our target value. The lessons learned from this project, however, both concerning experimental techniques and theoretical/modeling methods, have been extensive. Light trapping remains a central issue in thin c-Si technology, and we recommend to the US Department of Energy to increase research in this important area.

14 SOLAR ENERGY↗
DOE OSTI2023

Utah FORGE: 2023 Large Upscaled Discrete Fracture Network Models

This dataset includes the data and a report on the large upscaled discrete fracture network modeling done for the Utah FORGE project in 2023. The FORGE modeling team is making five discrete fracture network (DFN) realizations of a large reservoir model available to researchers. These models have been upscaled to a continuum mesh or grid at resolutions of 10 meters and 20 meters providing reservoir properties for fracture porosity, permeability, and compressibility. The models are available in both the reference global coordinate frame and a local coordinate frame aligned with principal stress directions.

15 GEOTHERMAL ENERGY↗
DOE OSTI2017

Construction of ground-state preserving sparse lattice models for predictive materials simulations

First-principles based cluster expansion models are the dominant approach in ab initio thermodynamics of crystalline mixtures enabling the prediction of phase diagrams and novel ground states. However, despite recent advances, the construction of accurate models still requires a careful and time-consuming manual parameter tuning process for ground-state preservation, since this property is not guaranteed by default. In this paper, we present a systematic and mathematically sound method to obtain cluster expansion models that are guaranteed to preserve the ground states of their reference data. The method builds on the recently introduced compressive sensing paradigm for cluster expansion and employs quadratic programming to impose constraints on the model parameters. The robustness of our methodology is illustrated for two lithium transition metal oxides with relevance for Li-ion battery cathodes, i.e., Li 2x Fe 2(1-x) O 2 and Li 2x Ti 2(1-x) O 2 , for which the construction of cluster expansion models with compressive sensing alone has proven to be challenging. We demonstrate that our method not only guarantees ground-state preservation on the set of reference structures used for the model construction, but also show that out-of-sample ground-state preservation up to relatively large supercell size is achievable through a rapidly converging iterative refinement. This method provides a general tool for building robust, compressed and constrained physical models with predictive power.

36 MATERIALS SCIENCE↗
DOE OSTI2023

IDAES-PSE 2.1.0 Release

The Institute for the Design of Advanced Energy Systems (IDAES) Integrated Platform is a versatile computational environment offering extensive process systems engineering (PSE) capabilities for optimizing the design and operation of complex, interacting technologies and systems. IDAES enables users to efficiently search vast, complex design spaces to discover the lowest cost, most environmentally sustainable solutions while supporting the full process modeling lifecycle, from conceptual design to dynamic optimization and control. The extensible, open platform empowers users to create models of novel processes and rapidly develop custom analyses, workflows, and end-user applications. IDAES-PSE 2.1.0 Release Highlights New IDAES Examples Repository Starting with this release, the IDAES examples are developed in the new IDAES/examples repository. Along with many content and usability improvements, the most significant changes are: To install the examples, after installing IDAES, run pip install idaes-examples The idaes get-examples command, previously used for this, has been removed The HTML version is now available at https://idaes-examples.readthedocs.io The previous URL, https://idaes.github.io/examples-pse, will not be updated and may be removed at some point in the future For more details, refer to the resources available at IDAES/examples. Removal of Non-Functional Apps A review of the code in the idaes/apps and idaes/models_extra folders was undertaken, and a number of tools were identified as being outdated or non-functional and no longer supported by their development teams. Due to this, the following tools have been removed: idaes/apps/alamopy_depr (note that the new ALAMOpy interface remains avaialble in idaes/core/surrogates) idaes/apps/helmet idaes/apps/ripe idaes/apps/roundingRegression idaes/models_extra/carbon_capture Pyomo 6.6 This version of IDAES is the first requiring Pyomo 6.6. This version of Pyomo contains multiple internal improvements and refactorings. While for the majority of cases this should have positive or no impact on solvability of IDAES models, we are aware of a small number of models that have been affected as a result of these changes. For more information, refer to the Pyomo 6.6.1 release notes. Other highlights Model Initialization A prototype API for a new approach to initializing IDAES models is now available which makes available some new techniques for initializing models. This is documented in the Initializing Models Reference Guide Modular Properties Framework Support for some transport properties Helmholtz Equation of State properties Better error checking for case where unit models are set to include phase equilibrium but the property package is set to support only a single phase Multi-Stream Contactor model: a new base model for systems involving contacting of two or more streams with mass transfer. This model is intended to be used as the foundation for models such as membrane separators, solvent extraction and other similar processes. This is documented in the Multi-Stream Contactor Reference Guide idaes/models_extra/power_generation report() methods for unit models using Helmholtz equation of state General Code Maintenance Streamlining of dependencies and creation of new optional dependency groupings to support non-core tools General linting of codebase to ensure compliance with most pylint checks Spell checking of all code and doc strings Removal of backward compatibility code for Python 2

IDAES↗
DOE OSTI2017

Physics-based control-oriented modeling of the current density profile evolution in NSTX-Upgrade

Active control of the toroidal current density profile is among those plasma control milestones that the National Spherical Torus eXperiment-Upgrade (NSTX-U) program must achieve to realize its next-step operational goals. Motivated by the coupled, nonlinear, multivariable, distributed-parameter plasma dynamics, the first step towards control design is the development of a physics-based, control-oriented model for the current profile evolution in response to non-inductive current drives and heating systems. The evolution of the toroidal current density profile is closely related to the evolution of the poloidal magnetic flux profile, whose dynamics is modeled by a nonlinear partial differential equation (PDE) referred to as the magnetic-flux diffusion equation (MDE). The proposed control-oriented model predicts the spatial-temporal evolution of the current density profile by combining the nonlinear MDE with physics-based correlations obtained at NSTX-U for the electron density, electron temperature, and non-inductive current drives (neutral beams). The resulting first-principles-driven, control-oriented model is tailored for NSTX-U based on predictions by the time-dependent transport code TRANSP. Furthermore, main objectives and possible challenges associated with the use of the developed model for the design of both feedforward and feedback controllers are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Design and application of a kinetic model of lipid metabolism in Saccharomyces cerevisiae

Lipid biosynthesis plays a vital role in living cells and has been increasingly engineered to overproduce various lipid-based chemicals. However, owing to the tightly constrained and interconnected nature of lipid biosynthesis, both understanding and engineering of lipid metabolism remain challenging, even with the help of mathematical models. Here we report the development of a kinetic metabolic model of lipid metabolism in Saccharomyces cerevisiae that integrates fatty acid biosynthesis, glycerophospholipid metabolism, sphingolipid metabolism, storage lipids, lumped sterol synthesis, and the synthesis and transport of relevant target-chemicals, such as fatty acids and fatty alcohols. The model was trained on lipidomic data of a reference S. cerevisiae strain, single knockout mutants, and lipid overproduction strains reported in literature. The model was used to design mutants for fatty alcohol overproduction and the lipidomic analysis of the resultant mutant strains coupled with model-guided hypothesis led to discovery of a futile cycle in the triacylglycerol biosynthesis pathway. In addition, the model was used to explain successful and unsuccessful mutant designs in metabolic engineering literature. Thus, this kinetic model of lipid metabolism can not only enable the discovery of new phenomenon in lipid metabolism but also the engineering of mutant strains for overproduction of lipids.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Geodyn Material Library: Pseudocap models for dry porous tocks

This report describes the second edition of the Pseudocap Strength models for porous rocks implemented in GEODYN material library. The first model was developed in 2007 and calibrated for concrete. Then, the model parameters were calibrated based on triaxial tests reported for limestones and sandstones of various porosities. In these models some key parameters were chosen as functions of the reference porosity,Φ. Since then multiple modifications were implemented in the model, therefore, it has been recalibrated for some common porous materials such as limestones, sandstones, alluvium, tuffs and granite. Two types of models are described in this repot. The first type (called Pseudocap Model or PM) is for rocks from a specific location. Parameters were calibrated for several specific geologic materials. The second type (called Generic Pseudocap Model or GPM) is useful for the sites where only basic information (rock type, porosity) is available. Generic models include built-in correlations between porosities and other mechanical properties observed for certain rock types. The models of both types were validated by comparing not only to quasi-static triaxial tests for these materials but also to shock Hugoniot data and spherical explosion data for some materials. All models were derived in the frame of isotropic plasticity. They are designed to be used in explicit finite element/difference codes. Tangent stiffness tensor is not provided but can be calculated numerically for the model to be used in implicit finite element codes. For an isotropic material the stress can be decomposed into volumetric and deviatoric parts. The volumetric part is modeled using an Equation of state (EOS) which calculates the pressure and the bulk sound speed as functions of the internal specific energy and density. Here a simple, Mie-Gruneisen EOS is presented, but tabulated EOS (LEOS) provided by the library can be used as well. The stress is limited by the yield surface which depends on three invariants of the stress tensor and specific internal energy. In addition, to capture the strain-rate dependence a simple multiplier is used for the yield surface which depends on the equivalent plastic strain rate. The failure surface (the ultimate yield, Y f , defined later) is chosen in the Hoek-Brown form, commonly used in rock mechanics. It includes measurable parameters such as Unconfined Compressive Strength (UCS) as well as scale parameters characterizing the quality of the rock such as GSI (Geologic Strength Index). Thus, even though the model is calibrated for small samples it offers a way to extrapolate the strength to the field scale using geological characterization of the rock mass. The model captures effects of brittle-ductile transition in rocks by introducing a cap multiplier to the yield function. The rate of dilatancy (bulking) is proportional to the slope of the yield surface affected by the cap. Therefore, it takes place only at low confinements when the pressure is less than the brittle-ductile transition pressure, P BD . On the contrary, the porous compaction takes place at pressures higher than P BD . The cap moves as the porosity is compacted or new porosity is generated due to dilatancy. The porous compaction is modeled using an evolution equation which includes deviatoric stress so that the onset of compaction corresponds to the cap surface. The model captures effects of shear-enhanced compaction which is an important for porous rocks. Section 2 describes the modeling framework and Section 3 presents the model calibration procedure. Section 4 compares experimental data for various rocks versus model predictions. The model parameters used for this comparison are given in Appendix. The files with material constants are available with the latest GEODYN material library distribution.

58 GEOSCIENCES↗