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DOE OSTI2021

Nyx: A Massively Parallel AMR Code for Computational Cosmology

Nyx is a highly parallel, adaptive mesh, finite-volume N-body compressible hydrodynamics solver for cosmological simulations. It has been used to simulate different cosmological scenarios with a recent focus on the intergalactic medium and Lyman alpha forest. Together, Nyx, the compressible astrophysical simulation code, Castro, and the low Mach number code MAESTROeX, make up the AMReX-Astrophysics Suite of open-source, adaptive mesh, performance-portable astrophysical simulation codes. Other examples of cosmological simulation research codes include Enzo, Enzo-P/Cello, RAMSES, ART, FLASH, Cholla, as well as Gadget, Gasoline, Arepo, Gizmo, and SWIFT.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Study of recirculating liquid fuel in a 1D critical stationary system

Several studies have been conducted to investigate the physics of liquid fuel reactors, showing also applications with molten salts. A liquid nuclear fuel implies changes in the neutron balance equation to take into account the precursors' displacement and the emission of delayed neutrons in a different position than at the original fission. This requires to upgrade the computer codes normally used to calculate nuclear reactors using only solid fuel. In this work, we revisit a simple problem with liquid fuel, which is proposed for the verification of the numerical solutions obtained by advanced computer codes. This problem studies criticality with constant coefficients, thus neglecting thermal feedback. We elaborate on the analytical solution of the problem, deriving also a generalized eigenvalue problem by finite-volume integration over the cells of a discretized mesh to study the evolution of the dominance ratio with fuel velocity. Finally, we investigate the influence of the fuel velocity on the reactivity of the system. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2015

Design, Testing and Modeling of the Direct Reactor Auxiliary Cooling System for AHTRs

The principal objective of this research is to test and model the heat transfer performance and reliability of the Direct Reactor Auxiliary Cooling System (DRACS) for AHTRs. In addition, component testing of fluidic diodes is to be performed to examine the performance and viability of several existing fluidic diode designs. An extensive database related to the thermal performance of the heat exchangers involved will be obtained, which will be used to benchmark a computer code for the DRACS design and to evaluate and improve, if needed, existing heat transfer models of interest. The database will also be valuable for assessing the viability of the DRACS concept and benchmarking any related computer codes in the future. The experience of making a liquid fluoride salt test facility available, with lessons learned, will greatly benefit the development of the Fluoride Salt-cooled High-temperature Reactor (FHR) and eventually the AHTR programs.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2023

Theoretical framework for new magnetic materials for quantum computing and information storage. Final report for the Award No. DE-SC0018910

The focus of this grant was on molecular magnetic materials for information storage and quantum computing. We have been developing robust, first-principle methods for computing relevant electronic and magnetic properties of molecular building blocks (SMMs) of novel magnetic materials and quantum computers. These tools enable theoretical modeling of SMMs’ behavior, facilitating the interpretation of experimental studies and aiding the design of novel magnetic materials. Our strategy is based on the spin-flip (SF) approach, which extends the hierarchy of black-box single-reference methods to strongly correlated systems. Specifically, we developed general scalable algorithms and computer codes for calculating molecular properties, with an emphasis on spin-related properties, such as zero-field splittings, hyperfine couplings, and g-tensors. While our primary focus was on SF wave functions and SF-TDDFT, the underlying theory and computer codes were formulated using reduced density matrices, such that these tools are applicable to a broader class of methods. To extend the scope of applicability of wave-function-based SF methods to larger systems, we developed reduced-scaling approaches for the equation-of-motion coupled-cluster (EOM-CC) methods and continue developing libtensor (our open-source general tensor contraction library for many-body methods). We carried out extensive benchmarks and also carried out several applications.

36 MATERIALS SCIENCE↗

DOE OSTI2018

The staged z-pinch as a potential high gain fusion energy source: An independent review, a negative conclusion

Previously published calculations predict that the “staged z-pinch” (SZP) can achieve 400 MJ of fusion yield on a Z-class machine. The SZP is touted to need no external preheat mechanism and no external pre-magnetization method. Instead, it is claimed that the imploding liner can adequately “shock preheat” the fuel and magnetic field diffusion through the liner can adequately magnetize the fuel. Here in this paper, we analyze a number of published SZP calculations and demonstrate that the calculations have major errors—the computer code used to do the calculations does not appear to be accurately solving the physical model it is intended to solve. A variety of independent analyses lead to this conclusion. This conclusion is confirmed by detailed one-dimensional magnetohydrodynamic (MHD) calculations conducted on different computer codes using a variety of proposed SZP operating parameters. Although using parameters similar or identical to the published calculations, our MHD calculations do not reach fusion conditions; there is no conceivable modification of the parameters that would lead to high-gain fusion conditions using these other codes. Our analyses and a review of the magnetized target parameter space leads to further conclusion that the SZP should not be considered to be a potential high-gain fusion source.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Advanced Simulation Tools for Muon-Based Accelerators

The project developed new software tools incorporating the most accurate theoretical calculations and experimental data available for crucial and not-yet-considered physics processes specific to muon accelerators. These new tools were applied to modeling muon ionization cooling channels for a muon collider or a neutrino factory, the facilities that have the potential to discover and explore new exciting fundamental physics but require the development of demanding technologies and innovative concepts. G4beamline, COSY Infinity, and WARP computer codes are particularly well-suited for addressing muon accelerator modeling problems. G4beamline was chosen for its flexibility and modularity, and for being one of the de facto standard codes used by the muon accelerator community. COSY was selected for speed, ability to take into account high-order nonlinear effects essential for the large beams under consideration, and availability of built-in optimization tools. WARP was chosen for its space charge calculation capabilities, speed and flexibility of implementing new lattice elements such as RF cavities. This final technical report summarizes the efforts on implementing advanced new tools in these computer codes addressing the shortcomings in modeling muon physics processes and using these tools to model muon ionization cooling channels.

43 PARTICLE ACCELERATORS↗

DOE OSTI2017

Breaking the Supermassive Black Hole Speed Limit

A new computer simulation helps explain the existence of puzzling supermassive black holes observed in the early universe. The simulation is based on a computer code used to understand the coupling of radiation and certain materials. “Supermassive black holes have a speed limit that governs how fast and how large they can grow,” said Joseph Smidt of the Theoretical Design Division at Los Alamos National Laboratory. “The relatively recent discovery of supermassive black holes in the early development of the universe raised a fundamental question, how did they get so big so fast?” Using computer codes developed at Los Alamos for modeling the interaction of matter and radiation related to the Lab’s stockpile stewardship mission, Smidt and colleagues created a simulation of collapsing stars that resulted in supermassive black holes forming in less time than expected, cosmologically speaking, in the first billion years of the universe.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

VALIDATION OF A RELAP5 POINT KINETICS MODEL OF TREAT

Development of advanced nuclear fuels requires testing of fuel specimens under various power-cooling mismatch conditions. The Transient Reactor Test (TREAT) facility at the Idaho National Laboratory will be used to provide transient nuclear heating of fuel specimens. Experiments will be conducted to support assessment of accident tolerant fuel designs being proposed for light water reactor applications. The experiments to be conducted at TREAT will provide data for the assessment of advanced, multi-physics computer codes. However, before the experiments can be performed, calculations are required to demonstrate that they will meet program objectives and that they can be performed safely in TREAT in the event of an unplanned reactivity insertion accident that occurs during the experiment. The safety calculations for the first experiments need to be performed in the next year and therefore will be performed with an existing computer code, RELAP5-3D. A point kinetics model of TREAT was developed for RELAP5-3D. The purpose of the model is to calculate the reactor power during experiments and to support the accident analyses of those experiments. The RELAP5-3D model was validated using data from nine TREAT experiments conducted previously. The RELAP5-3D model generates results that are in reasonable agreement with measured values of maximum core power, energy deposition, and maximum fuel temperature for a wide range of reactivity insertions.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2015

Methodology comparison for gamma-heating calculations in material-testing reactors

The Jules Horowitz Reactor (JHR) is a Material-Testing Reactor (MTR) under construction in the south of France at CEA Cadarache (French Alternative Energies and Atomic Energy Commission). It will typically host about 20 simultaneous irradiation experiments in the core and in the beryllium reflector. These experiments will help us better understand the complex phenomena occurring during the accelerated ageing of materials and the irradiation of nuclear fuels. Gamma heating, i.e. photon energy deposition, is mainly responsible for temperature rise in non-fuelled zones of nuclear reactors, including JHR internal structures and irradiation devices. As temperature is a key parameter for physical models describing the behavior of material, accurate control of temperature, and hence gamma heating, is required in irradiation devices and samples in order to perform an advanced suitable analysis of future experimental results. From a broader point of view, JHR global attractiveness as a MTR depends on its ability to monitor experimental parameters with high accuracy, including gamma heating. Strict control of temperature levels is also necessary in terms of safety. As JHR structures are warmed up by gamma heating, they must be appropriately cooled down to prevent creep deformation or melting. Cooling-power sizing is based on calculated levels of gamma heating in the JHR. Due to these safety concerns, accurate calculation of gamma heating with well-controlled bias and associated uncertainty as low as possible is all the more important. There are two main kinds of calculation bias: bias coming from nuclear data on the one hand and bias coming from physical approximations assumed by computer codes and by general calculation route on the other hand. The former must be determined by comparison between calculation and experimental data; the latter by calculation comparisons between codes and between methodologies. In this presentation, we focus on this latter kind of bias. Nuclear heating is represented by the physical quantity called absorbed dose (energy deposition induced by particle-matter interactions, divided by mass). Its calculation with Monte Carlo codes is possible but computationally expensive as it requires transport simulation of charged particles, along with neutrons and photons. For that reason, the calculation of another physical quantity, called KERMA, is often preferred, as KERMA calculation with Monte Carlo codes only requires transport of neutral particles. However, KERMA is only an estimator of the absorbed dose and many conditions must be fulfilled for KERMA to be equal to absorbed dose, including so-called condition of electronic equilibrium. Also, Monte Carlo computations of absorbed dose still present some physical approximations, even though there is only a limited number of them. Some of these approximations are linked to the way how Monte Carlo codes apprehend the transport simulation of charged particles and the productive and destructive interactions between photons, electrons and positrons. There exists a huge variety of electromagnetic shower models which tackle this topic. Differences in the implementation of these models can lead to discrepancies in calculated values of absorbed dose between different Monte Carlo codes. The magnitude of order of such potential discrepancies should be quantified for JHR gamma-heating calculations. We consequently present a two-pronged plan. In a first phase, we intend to perform compared absorbed dose / KERMA Monte Carlo calculations in the JHR. This way, we will study the presence or absence of electronic equilibrium in the different JHR structures and experimental devices and we will give recommendations for the choice of KERMA or absorbed dose when calculating gamma heating in the JHR. In a second phase, we intend to perform compared TRIPOLI4 / MCNP absorbed dose calculations in a simplified JHR-representative geometry. For this comparison, we will use the same nuclear data library for both codes (the European library JEFF3.1.1 and photon library EPDL97) so as to isolate the effects from electromagnetic shower models on absorbed dose calculation. This way, we hope to get insightful feedback on these models and their implementation in Monte Carlo codes. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2020

Choosing the Best Modeling Platform for Radiological Risk Assessment Models - 20468

Radiological risk assessments, in the form of performance or safety assessments, are often required under regulations or guidance for remediation of contaminated land, decommissioning of contaminated buildings or structures, and radioactive waste disposal. These risk assessments are usually supported by fate and transport models that address decay and ingrowth of radionuclides, as well as their movement through engineered systems and the natural environment. These models are often projected thousands, or more, years into the future, largely because the radioactive species change through decay and ingrowth, and hence the magnitude of the radioactive effect changes with time. There are many computer codes that are available to address this type of modeling. They range from addressing specific pathways or processes such as infiltration of water, groundwater, surface water, air, biota, diffusion and advection of water and gases, to those that try to couple all processes together to evaluate the impact of fate and transport through the entire system to places in space and time to which access is assumed. These different types of codes are sometimes separated with the monikers process-level and systems-level codes, although it is often not clear that this separation does justice to the capabilities of the many codes that are available to evaluate fate and transport of radionuclides. The focus of this paper is the latter group of modeling codes. Several systems level modeling codes exist and are used. There are differences between these codes in terms of utility, flexibility, complexity and cost. The purpose of this paper is to compare a few of these codes in the context of work currently being performed by the International Atomic Energy Agency (IAEA) Modeling and Data for Radiological Impact Assessments (MODARIA) II Working Group 1 (WG1). The MODARIA II WG1's main focus is how stakeholder engaged decision analysis can, or should, be applied to radiological contamination problems so that better, longstanding, sustainable, solutions are reached. However, the WG1 also recognizes the potential impact of the modeling tools that are chosen to address radiological risk, which is often a primary objective of decision making for radiological problems. Other objectives might also be important, such as constraining costs, obtaining financing, minimizing impact on ecosystems, saving cultural resources, saving jobs, farmland, environmental justice, etc., in a full decision analysis for a given radiological contamination problem, but none of these other objectives have the same types of complex modeling needs as minimize radiological dose. Consequently, a further focus of WG1 is to evaluate the potential impacts on decision making of the choice of fate and transport, and risk assessment, modeling codes that are used to support decision making. The WG1 will produce a report at the end of 2020 that will focus on an approach to effective decision making and stakeholder engagement. The report will also consider the role that performance assessment modeling should play in the decision-making process, including the impact of the choice of modeling tools or computer codes on risk-informed decision making. Several sites around the World have been made available by Member States for these model comparisons, and several modeling tools have been considered. However, the focus of this paper is on two of the sites, one in Belgium and one in Ukraine, and on three of the tools: NORMALYSA (NORM And Legacy Site Assessment); GoldSim{sup C}, and AMBER{sup C}. The final report from this working group will also cover other modeling tools, including RESRAD, and PC-Cream{sup R}. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2019

Computation of magnetic fields from field components on a plane grid

An algorithm is presented to calculate the field components of the magnetic field [B x (x, y, z), B y (x, y, z), B z (x, y, z)] at a point (x, y, z) in space, from the knowledge of the components [B x (x, y) = 0, z), B y (x, y = 0, z), B z (x, y = 0,z)] on a “reference plane”, which is normal to the y-axis at . The algorithm, which is a general one and is not restricted to fields with mid-plane symmetry is based on the Maclaurin series expansion of the magnetic field components at any point in space in terms of the distance (y) of the point from the reference plane. The coefficients of the Maclaurin series expansion are expressed in terms of the on-plane field components and their partial derivatives with respect to spatial coordinates (). The field components are usually generated from magnetic field measurements on a rectangular grid on the plane. This algorithm was employed in 1986 in the RAYTRACE computer code to help calculate the optical properties of magnets and of the Alternating Gradient Synchrotron (AGS) at the Brookhaven National Laboratory (BNL). Here, a general mathematical formulation of this algorithm based on the differential algebraic method was presented by Makino in 2011. This paper presents the step by step derivation of the algorithm and provides the necessary formulas to be introduced by the reader in any computer code which requires the field components generated by magnetic devices. In addition provides an example of the use of the algorithm and its limitations as applied to a Halbach type magnet with or without median plane symmetry.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

MELCOR 2.2 Benchmarks of Peach Bottom NUREG/CR 7155 Uncertainty Analysis

The U.S. Nuclear Regulatory Commission (NRC) performed a first-of-a-kind uncertainty analysis (UA) of the accident progression, radiological releases, and offsite consequences for the State-of- the-Art Reactor Consequence Analyses (SOARCA) of an unmitigated long-term station blackout (LTSBO) severe accident scenario at the Peach Bottom Atomic Power Station. The objective of the UA was to evaluate the robustness of the SOARCA deterministic "best estimate results and conclusions documented in NUREG-1935, and to develop insight into the overall sensitivity of the SOARCA results to uncertainty in key modeling inputs. The study was completed in 2015 and documented in NUREG/CR-7155. Since 2015, two other SOARCA UAs were completed for two pressurized water reactor (PWR) plants. The PWR UAs incrementally updated the approach and methodology, including using the latest release of the MELCOR 2.2 computer code. There were also advances made in the state-of-the-art modeling related to NRC efforts using the Peach Bottom model in NUREG-2206, which provided the technical basis for the containment protection and release reduction rulemaking for boiling water reactors with Mark I and Mark II containments. This report documents the input model changes from the NUREG/CR-7155 study and performs a small number of reference calculations to assess the changes of the new computer code and the model input updates. The objective of the work is to verify whether the updated Peach Bottom MELCOR model and updated version of MELCOR support the conclusions formed in the Peach Bottom SOARCA UA by performing these representative calculations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level (4,850 feet below ground surface) in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, produced fluid temperatures with chilled water injections, pressure limits on fluid circulation to avoid fracture growth, temperature environment surrounding the 4850 Level drift, and fracture propagation within a stress field altered by drift excavation, ventilation cooling, and dewatering.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

The Necessity for Iteration in the Application of Numerical Simulation to EGS: Examples from the EGS Collab Test Bed 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO's flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper reviews specific numerical simulations supporting the design of experiments within Test Bed 1, a volume of phyllite rock under in-situ stress conditions off the western side of the West Access Drift on the 4850 Level, near Governor's Corner. Numerical simulations were executed prior to the start of hydraulic stimulation activities within Test Bed 1 following standard practices, using best estimates of principal stress conditions, thermal conditions, and the rock petrophysical properties, including geomechanical properties. These simulations indicated notching of the borehole would promote the initiation of transverse fractures, seismic magnitudes during the hydraulic stimulation would be below 0.1 magnitude on the Richter scale, a rock thermal conductivity of 5.0 W/m K yielded agreement with kISMET borehole temperature logs, back pressure on the production borehole would increase circulation across the test bed, and the production borehole would serve to halt propagation of the hydraulic fracture to the drift. Pre-existing natural fractures, heterogeneities in the rock properties, monitoring boreholes, and overlooked mine elements have prompted a second look at numerically modeling stimulation, fluid circulation, tracer migration, and thermal breakthrough. Numerical simulation is an invaluable tool for providing insight and understanding to complex physical processes. The success of simulations, however, often depends on including all of the salient features of the system in the founding conceptual model. This paper takes a retrospective look at examples where the conceptual model and simulation was sufficient to provide accurate forecasts and those where elements were missing, necessitating rethinking of the simulation.

15 GEOTHERMAL ENERGY↗

DOE OSTI2019

The Necessity for Iteration in the Application of Numerical Simulation to EGS: Examples from the EGS Collab Test Bed 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper reviews specific numerical simulations supporting the design of experiments within Test Bed 1, a volume of phyllite rock under in-situ stress conditions off the western side of the West Access Drift on the 4850 Level, near Governor’s Corner. Numerical simulations were executed prior to the start of hydraulic stimulation activities within Test Bed 1 following standard practices, using best estimates of principal stress conditions, thermal conditions, and the rock petrophysical properties, including geomechanical properties. These simulations indicated notching of the borehole would promote the initiation of transverse fractures, seismic magnitudes during the hydraulic stimulation would be below 0.1 magnitude on the Richter scale, a rock thermal conductivity of 5.0 W/m K yielded agreement with kISMET borehole temperature logs, back pressure on the production borehole would increase circulation across the test bed, and the production borehole would serve to halt propagation of the hydraulic fracture to the drift. Pre-existing natural fractures, heterogeneities in the rock properties, monitoring boreholes, and overlooked mine elements have prompted a second look at numerically modeling stimulation, fluid circulation, tracer migration, and thermal breakthrough. Numerical simulation is an invaluable tool for providing insight and understanding to complex physical processes. The success of simulations, however, often depends on including all of the salient features of the system in the founding conceptual model. This paper takes a retrospective look at examples where the conceptual model and simulation was sufficient to provide accurate forecasts and those where elements were missing, necessitating rethinking of the simulation.

numerical simulation, EGS Collab, enhanced geother↗

DOE OSTI2018

Numerical Simulation Applications in the Design of EGS Collab Experiment 1

The United States Department of Energy, Geothermal Technologies Office (GTO) is funding a collaborative investigation of enhanced geothermal systems (EGS) processes at the meso-scale. This study, referred to as the EGS Collab project, is a unique opportunity for scientists and engineers to investigate the creation of fracture networks and circulation of fluids across those networks under in-situ stress conditions. The EGS Collab project is envisioned to comprise three experiments and the site for the first experiment is on the 4850 Level in phyllite of the Precambrian Poorman formation, at the Sanford Underground Research Facility, located at the former Homestake Gold Mine, in Lead, South Dakota. Principal objectives of the project are to develop a number of intermediate-scale field sites and to conduct well-controlled in situ experiments focused on rock fracture behavior and permeability enhancement. Data generated during these experiments will be compared against predictions of a suite of computer codes specifically designed to solve problems involving coupled thermal, hydrological, geomechanical, and geochemical processes. Comparisons between experimental and numerical simulation results will provide code developers with direction for improvements and verification of process models, build confidence in the suite of available numerical tools, and ultimately identify critical future development needs for the geothermal modeling community. Moreover, conducting thorough comparisons of models, modelling approaches, measurement approaches and measured data, via the EGS Collab project, will serve to identify techniques that are most likely to succeed at the Frontier Observatory for Research in Geothermal Energy (FORGE), the GTO’s flagship EGS research effort. As noted, outcomes from the EGS Collab project experiments will serve as benchmarks for computer code verification, but numerical simulation additionally plays an essential role in designing these meso-scale experiments. This paper describes specific numerical simulations supporting the design of Experiment 1, a field test involving hydraulic stimulation of two fractures from notched sections of the injection borehole and fluid circulation between sub-horizontal injection and production boreholes in each fracture individually and collectively, including the circulation of chilled water. Whereas the mine drift allows for accurate and close placement of monitoring instrumentation to the developed fractures, active ventilation in the drift cooled the rock mass within the experimental volume. Numerical simulations were executed to predict seismic events and magnitudes during stimulation, initial fracture orientations for smooth horizontal wellbores, pressure requirements for fracture initiation from notched wellbores, fracture propagation during stimulation between the injection and production boreholes, tracer travel times between the injection and production boreholes, and produced fluid temperatures with chilled water injections, and pressure limits on fluid circulation to avoid fracture growth.

Numerical Simulation, EGS Collab, EGS, Sanford Und↗

DOE OSTI2017

The Role of Numerical Simulation in the Design of Stimulation and Circulation Experiments for the EGS Collab Project

Numerical Simulation, EGS Collab, EGS, Sanford Und↗

DOE OSTI2015

Initial Verification and Validation of RAZORBACK – A Research Reactor Transient Analysis Code

This report describes the work and results of the initial verification and validation (V&V) of the beta release of the Razorback code. Razorback is a computer code designed to simulate the operation of a research reactor (such as the Annular Core Research Reactor (ACRR)) by a coupled numerical solution of the point reactor kinetics equations, the energy conservation equation for fuel element heat transfer, and the mass, momentum, and energy conservation equations for the water cooling of the fuel elements. This initial V&V effort was intended to confirm that the code work to-date shows good agreement between simulation and actual ACRR operations, indicating that the subsequent V&V effort for the official release of the code will be successful.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗