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DOE OSTI2021

A coupled thermo-hydro-mechanical model for simulating leakoff-dominated hydraulic fracturing with application to geologic carbon storage

A potential risk of injecting CO2 into storage reservoirs with marginal permeability (≲ 10 mD (1 mD = 10 –15 m 2 )) is that commercial injection rates could induce fracturing of the reservoir and/or the caprock. Such fracturing is essentially fluid-driven fracturing in the leakoff-dominated regime. Recent studies suggested that fracturing, if contained within the lower portion of the caprock complex, could substantially improve the injectivity without compromising the overall seal integrity. Modeling this phenomenon entails complex coupled interactions among the fluids, the fracture, the reservoir, and the caprock. Here, we develop a simple method to capture all these interplays in high fidelity by sequentially coupling a hydraulic fracturing module with a coupled thermal-hydrological-mechanical (THM) model for nonisothermal multiphase flow. The model was made numerically tractable by taking advantage of self-stabilizing features of leakoff-dominated fracturing. The model is validated against the PKN solution in the leakoff-dominated regime. Moreover, we employ the model to study thermo-poromechanical responses of a fluid-driven fracture in a field-scale carbon storage reservoir that is loosely based on the In Salah project's Krechba reservoir. The model reveals complex yet intriguing behaviors of the reservoir-caprock-fluid system with fracturing induced by cold CO 2 injection. We also study the effects of the in situ stress contrast between the reservoir and caprock and thermal contraction on the vertical containment of the fracture. The proposed model proves effective in simulating practical problems on length and time scales relevant to geological carbon storage.

58 GEOSCIENCES↗

DOE OSTI2016

Multiscale Model for Simulating Fission-Induced Recrystallization in U-Mo Alloy

U-Mo alloy is one of the most promising fuels for the future high performance research and test reactors due to its high uranium loading density and stable irradiation behavior. However, a major concern to its qualification is the fuel swelling at high fission density due to the formation of large fission-gas bubbles. The fission-induced recrystallization further expedites the formation and growth of gas bubbles. So far, the exact mechanism of recrystallization is still unclear. One possible driving force for recrystallization is the production of point defects and interstitial loops due to irradiation. Following this, we developed a multi-scale model by integrating the rate-theory and phase-field models to study microstructural evolutions in irradiated U-Mo alloy, i.e., fission-induced gas bubble evolution and recrystallization. Density function theory (DFT) calculations are utilized to predict the defect formation energies, diffusivities of defects, the interfacial energy of gas bubble, and the elastic constants of U-Mo alloy, etc. The dislocation density evolution is predicted by the rate-theory developed by Jeff. The grain subdivision occurs once the dislocation density is above a critical value. The grain growth coupled with gas bubbles evolution is modeled using a multi-phase phase-field model. The effects of fission rate and initial grain microstructure on the recrystallization process are systematically investigated. The simulated dislocation density, sub-grain size distribution, and volume fraction of the recrystallization grains under different fission density are comparable with experimental data. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Evaluation of the accuracy of an offline seasonally-varying matrix transport model for simulating ideal age

Newton-Krylov solvers for ocean tracers have the potential to greatly decrease the computational costs of spinning up deep-ocean tracers, which can take several thousand model years to reach equilibrium with surface processes. One version of the algorithm uses offline tracer transport matrices to simulate an annual cycle of tracer concentrations and applies Newton’s method to find concentrations that are periodic in time. Here we present the impact of time-averaging the transport matrices on the equilibrium values of an ideal-age tracer. We compared annually-averaged, monthly-averaged, and 5-day-averaged transport matrices to an online simulation using the ocean component of the Community Earth System Model (CESM) with a nominal horizontal resolution of 1° × 1° and 60 vertical levels. We found that increasing the time resolution of the offline transport model reduced a low age bias from 12% for the annually-averaged transport matrices, to 4% for the monthly-averaged transport matrices, and to less than 2% for the transport matrices constructed from 5-day averages. The largest differences were in areas with strong seasonal changes in the circulation, such as the Northern Indian Ocean. As a result, for many applications the relatively small bias obtained using the offline model makes the offline approach attractive because it uses significantly less computer resources and is simpler to set up and run.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2016

Engineering challenges for detectors at the ILC

Over the last years two proposals for experiments at the ILC have been developed, ILD and SID. Extensive R&D has been carried out around the world to develop the needed technologies. Furthermore a first round of engineering studies was made as part of the ILC TDR to understand the integration of these different sub-systems into coherent and integrated detector concepts. Among the key challenges for the sub detectors are the extreme low mass/low power requirements or the extreme channel densities needed in particle flow based detectors. Throughout these studies special care was taken to ensure that the engineering models and the simulation models, used in studies of the physics capabilities of the detectors, stay synchronized. In the near future, the models will need to be evolved to take the special requirements of the potential ILC site in Japan into account. Furthermore, the state of the integration of the detectors, and the future directions, will be discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Observations Indicate That Clouds Amplify Mechanisms of Southern Ocean Heat Uptake

Abstract The Southern Ocean has absorbed most of the excess heat associated with anthropogenic greenhouse gas emissions. Since Southern Ocean observations are sparse in certain regions and seasons, much of our knowledge of ocean heat uptake is based on climate model simulations. However, climate models still inadequately represent some properties of Southern Ocean clouds, and they have not identified the mechanisms by which clouds may affect Southern Ocean heat uptake (SOHU). Here, we use the ERA5 and JRA‐55 reanalyses to assess the influence of clouds and other atmospheric processes on SOHU from 1979 to 2020. We find that years with the highest SOHU between 45° and 65°S are dominated by ocean heat uptake anomalies during winter and spring, but not during summer or fall. Winter and spring cloud cover are up to 7% higher when SOHU is up to 5.5 W/m 2 higher than the climatological seasonal mean, with the largest increases in the South Pacific Ocean. Clouds also contain more liquid water. These changes in cloud properties increase downwelling longwave radiation, amplifying ocean heat uptake. Cloud changes are also concomitant with a more stable lower atmosphere, which suppresses turbulent heat fluxes out of the surface. Overall, we find that SOHU is likely not mediated by enhanced surface shortwave absorption over the observational time period. A better understanding of how atmospheric processes impact ocean heat uptake may help improve our understanding of ocean heat uptake mechanisms in the current generation of climate models.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2022

Increasing Hurricane Intensification Rate Near the US Atlantic Coast

Hurricanes often cause severe damage and loss of life, and storms that intensify close to the coast pose a particularly serious threat. While changes in hurricane intensification and environment have been examined at basin scales previously, near-coastal changes have not been adequately explored. In this study, we address this using a suite of observations and climate model simulations. Over the 40-year period of 1979–2018, the mean 24-hr hurricane intensification rate increased by ~1.2 kt 6-hr –1 near the US Atlantic coast. However, a significant increase in intensification did not occur near the Gulf coast over the same period. The enhanced hurricane intensification along the Atlantic coast is consistent with an increasingly favorable dynamic and thermodynamic environment there, which is well simulated by climate models over the historical period. Further, multi-model projections suggest a continued enhancement of the storm environment and hurricane intensification near the Atlantic coast in the future.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2017

Thermal conductivity measurements of proton-heated warm dense aluminum

Thermal conductivity is one of the most crucial physical properties of matter when it comes to understanding heat transport, hydrodynamic evolution, and energy balance in systems ranging from astrophysical objects to fusion plasmas. In the warm dense matter regime, experimental data are very scarce so that many theoretical models remain untested. Here we present the first thermal conductivity measurements of aluminum at 0.5–2.7 g/cc and 2–10 eV, using a recently developed platform of differential heating. A temperature gradient is induced in a Au/Al dual-layer target by proton heating, and subsequent heat flow from the hotter Au to the Al rear surface is detected by two simultaneous time-resolved diagnostics. A systematic data set allows for constraining both thermal conductivity and equation-of-state models. Simulations using Purgatorio model or Sesame S27314 for Al thermal conductivity and LEOS for Au/Al release equation-of-state show good agreement with data after 15 ps. Discrepancy still exists at early time 0–15 ps, likely due to non-equilibrium conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2015

Evolution of flux ropes in the magnetotail: A three-dimensional global hybrid simulation

Flux ropes in the Earth's magnetotail are widely believed to play a crucial role in energy transport during substorms and the generation of energetic particles. Previous kinetic simulations are limited to the local-scale regime, and thus cannot be used to study the structure associated with the geomagnetic field and the global-scale evolution of the flux ropes. Here, the evolution of flux ropes in the magnetotail under a steady southward interplanetary magnetic field are studied with a newly developed three-dimensional global hybrid simulation model for dynamics ranging from the ion Larmor radius to the global convection time scales. Magnetic reconnection with multiple X-lines is found to take place in the near-tail current sheet at geocentric solar magnetospheric distances x=−30R{sub E}∼−15R{sub E} around the equatorial plane (z=0). The magnetotail reconnection layer is turbulent, with a nonuniform structure and unsteady evolution, and exhibits properties of typical collisionless fast reconnection with the Hall effect. A number of small-scale flux ropes are generated through the multiple X-line reconnection. The diameter of the flux ropes is several R{sub E}, and the spatial scale of the flux ropes in the dawn-dusk direction is on the order of several R{sub E} and does not extend across the entire section of the magnetotail, contrary to previous models and MHD simulation results and showing the importance of the three-dimensional effects. The nonuniform and unsteady multiple X-line reconnection with particle kinetic effects leads to various kinds of flux rope evolution: The small-scale flux ropes propagate earthward or tailward after formation, and eventually merge into the near-Earth region or the mid-/distant-tail plasmoid, respectively. During the propagation, some of the flux ropes can be tilted in the geocentric solar magnetospheric (x,y) plane with respect to the y (dawn-dusk) axis. Coalescence between flux ropes is also observed. At the same time, the evolution of the flux ropes in the multiple X-line reconnection layer can also lead to the acceleration and heating of ions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Light-Duty Vehicle Attribute Projections (Years 2015-2030)

This report describes the approach and results associated with projecting vehicle attributes for future light-duty vehicle classes and powertrains, from year 2015 to 2030. The focus is the California light-duty vehicle market and the projected attributes include fuel economy, acceleration, driving range (total and all-electric), and manufacturer suggested retail price from year 2015 to year 2030. Attributes are weighted by California vehicle sales, which are projected using a historically validated consumer choice model - the Automotive Deployment Option Projection Tool (ADOPT) - integrated with a modeling framework that simulates vehicle fuel economy, cost, and acceleration performance while optimizing vehicle components - the Future Automotive Systems Technology Simulator model (FASTSim). Both models were developed at the National Renewable Energy Laboratory and have been adapted to represent the future California light-duty vehicle market for the present report. The analysis includes several scenarios pertaining to electricity and, essentially, electric vehicle demand in California, as established by the Energy Commission. Results suggest that implementation of certain policies, such as the Corporate Average Fuel Economy standards, impacts vehicle attribute projections. The results also show that standards and policy targets are not exclusively met by changes in vehicle attributes, but also through shifts in market demand and sales for certain vehicle powertrains.

33 ADVANCED PROPULSION SYSTEMS↗

DOE OSTI2019

Physics Models in Detector Simulation [PowerPoint]

This talk provides an overview of the detector simulation physics models needs of HEP experiments and is restricted to LHC experiments (ALICE, ATLAS, CMS, LHCb) and Belle II and will be focused on the Geant4 toolkit. Other experiments are discussed in other talks. This talk also discuss differences and commonalities among experiments and will identify opportunities for collaboration.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2023

Tidal Resource Gaps Analysis Technical Report

The tidal resource gaps project was created to address a growing body of evidence that models underpredict tidal current speeds compared to measurements at a number of the top-ranking tidal energy sites. In response, this project compared opportunistic tidal power density measurements from 16 tidal energy hot spot sites with estimates from resource assessment data to identify discrepancies. To improve the accuracy of resource estimates from model data, updated data from eight improved model simulations were obtained. Model improvements included grid refinement, domain coupling, and the use of unstructured or nested grids. New resource estimates were calculated from the updated models, and these data were used to update the tidal hot spots-a list of promising tidal energy sites around the United States.

16 TIDAL AND WAVE POWER↗

DOE OSTI2019

Assessing the Potential of Active Insulation Systems to Reduce Energy Consumption and Enhance Electrical Grid Services

Building envelopes today act as passive systems in a dynamic environment. Traditional energy-saving efforts have mainly tried to improve the performance of building envelope systems by increasing thermal resistance to a set value that reduces energy flow. However, changes in weather and indoor conditions often lead to situations in which a low thermal resistance would decrease energy use. The optimization of thermal resistance that is triggered by changes in temperature, solar radiation, or availability of energy from renewable sources is currently not possible. Controllable active insulation systems (AISs), in which the thermal resistance of the insulation material can be dynamically controlled within a certain range, can expand the capabilities of the building envelope. With AISs the building envelope is no longer only a passive barrier between indoors and outdoors; instead, heat transfer can be controlled. Moreover, when AISs are combined with the thermal mass in the envelope system, these can act as thermal batteries that can be loaded and unloaded on demand. To quantify the benefits of AISs, a literature study of active insulation and achievable thermal conductivity ranges, thermal simulation models, and control logics was performed. Based on this literature study, a simulation model was developed to control the thermal resistance of insulation materials. A methodology to assess the potential of active insulation systems to reduce energy use and enhance electrical grid services was established and applied to identify ideal implementation scenarios for active insulation systems. A significant reduction of total building energy consumption for heating and cooling was found in all climate zones. The savings for the slab-on-ground DOE residential prototype building for eight selected cities in different climate zones range from 4069 kBtu to 8433 kBtu. Depending on the control cooling during peak load hours in Los Angeles could be reduced by more than 80% without a negative impact on thermal comfort conditions.

Antretter, Florian↗

DOE OSTI2020

Assessment of turbulent combustion models for simulating pre-chamber ignition in a natural gas engine

Lean combustion in an internal combustion engine is a promising strategy to increase thermal efficiency by leveraging a more favorable specific heat ratio of the fresh mixture and simultaneously suppressing the heat losses to the cylinder wall. However, unstable ignition events and slow flame propagation at fuel-lean condition lead to high cycle-to-cycle variability and hence limit the high-efficiency engine operating range. Pre-chamber ignition is considered an effective concept to extend the lean operating limit, by providing spatially distributed ignition with multiple turbulent flame-jets and enabling faster combustion rate compared to the conventional spark ignition approach. From a numerical modeling perspective, to date, still the science base and available simulation tools are inadequate for understanding and predicting the combustion processes in pre-chamber ignited engines. In this paper, conceptually different RANS combustion models widely adopted in the engine modeling community were used to simulate the ignition and combustion processes in a medium-duty natural gas engine with a pre-chamber spark-ignition system. A flamelet-based turbulent combustion model, i.e., G-equation, and a multi-zone well-stirred reactor model were employed for the multi-dimensional study. Simulation results were compared with experimental data in terms of in-cylinder pressure and heat release rate. Finally, the analysis of the performance of the two models is carried out to highlight the strengths and limitations of the two formulations respectively.

combustion model evaluation↗

DOE OSTI2022

Thermal-Hydraulics Modeling and Simulations of Hot Pool Using the SAS-CFD Coupled Code

The main goal of this activity is to test the dynamic coupling of the SAS4A/SASSYS-1 (SAS) and CFD models, using a recently patched version of the SAS code intended to address an undocumented limitation that hindered the Versatile Test Reactor (VTR) simulation efforts in FY21. As described in previous VTR calculation reports, the undocumented limitation in SAS v5.4 does not allow the user to activate the CFD coupling option during restart calculations. Since the analysts were unaware of this limitation, prior SAS-CFD simulation results for the protected station blackout (PSBO) transient were erroneous. Root-cause analysis was performed to determine the cause of this undocumented limitation in SAS v5.4, the SAS software was updated in a new patch, and the SAS-CFD simulations were repeated with this patched software. The results of the SAS-CFD simulations documented in this report show that the software patch does address the cited issue, and that the patched software indeed supports the activation of the CFD coupling model in restart calculations. The SAS development team will determine the schedule for implementing the patch in an official software release. This report documents updated SAS-CFD simulations of the PSBO transient response in the VTR. The hot pool is modeled with the CFD code STAR-CCM+, which is coupled at the flow boundaries to the SAS model of the primary heat transport system. SAS computes the mass flow rate and temperature at each core subassembly outlet, the thermal insulation cavity bypass, and the IHX inlet windows. CFD in turn computes the absolute pressure and temperature at each of these boundaries. The SAS code will ignore the temperature data at flow boundaries where flow is directed into the hot pool, i.e., at the core subassembly outlets unless flow reversal occurs. Similarly, CFD will ignore temperature data at boundaries where the flow is directed out of the hot pool, i.e., at the IHX inlets except under flow reversal. The focus of this work is to ensure that the SAS software patch addresses the undocumented limitation described in prior VTR calculation reports, rather than the accurate assessment of thermal stratification in the VTR during protected transients. This motivates the development of a new, simplified CFD model with a coarser mesh to accelerate the testing process. The updated model, and simplifying assumptions, are documented in this report. In future work, the thermal stratification assessment should be performed in more detail. The simplified CFD model can be improved by performing grid convergence studies sensitivity studies of turbulence parameters (e.g., Prandtl number, turbulence production and dissipation parameters) on temperature distributions and thermal stratification.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

Investigations and advanced concepts on gyrotron interaction modeling and simulations

In gyrotron theory, the interaction between the electron beam and the high frequency electromagnetic field is commonly modeled using the slow variables approach. The slow variables are quantities that vary slowly in time in comparison to the electron cyclotron frequency. They represent the electron momentum and the high frequency field of the resonant TE modes in the gyrotron cavity. For their definition, some reference frequencies need to be introduced. These include the so-called averaging frequency, used to define the slow variable corresponding to the electron momentum, and the carrier frequencies, used to define the slow variables corresponding to the field envelopes of the modes. From the mathematical point of view, the choice of the reference frequencies is, to some extent, arbitrary. However, from the numerical point of view, there are arguments that point toward specific choices, in the sense that these choices are advantageous in terms of simulation speed and accuracy. In this paper, the typical monochromatic gyrotron operation is considered, and the numerical integration of the interaction equations is performed by the trajectory approach, since it is the fastest, and therefore it is the one that is most commonly used. The influence of the choice of the reference frequencies on the interaction simulations is studied using theoretical arguments, as well as numerical simulations. From these investigations, appropriate choices for the values of the reference frequencies are identified. In addition, novel, advanced concepts for the definitions of these frequencies are addressed, and their benefits are demonstrated numerically.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2018

Neutronics Phenomena Important in Modeling and Simulation of Liquid-Fuel Molten Salt Reactors

This paper discusses liquid-fuel molten salt reactors, how they will operate under normal, transient, and accident conditions, and the results of an expert elicitation to determine the corresponding neutronic phenomena important to understanding their behavior. Identifying these phenomena will enable the U.S. Nuclear Regulatory Commission (NRC) to develop or identify modeling functionalities and tools required to carry out confirmatory analyses that examine the validity and accuracy of applicants’ calculations and help determine the margin of safety in plant design. NRC frequently does an expert elicitation using a Phenomena Identification and Ranking Table (PIRT) to identify and evaluate the state of knowledge of important modeling phenomena. However, few details about the design of these reactors and the sequence of events during accidents are known, so the process used was considered a preliminary PIRT. A panel met to define phenomena that would need to be modeled and considered the impact/importance of each phenomenon with respect to specific figures-of-merit (FoMs) (e.g., power distribution, fluence, kinetics parameters and reactivity). Each FoM reflected a potential impact on radionuclide release or loss of a barrier to release. The panel considered what the path forward might be with respect to being able to model the phenomenon in a simulation code. Results are explained for both thermal and fast spectrum designs.

42 ENGINEERING↗

DOE OSTI2016

Simulink models for performance analysis of high speed DQPSK modulated optical link

This paper attempts to present the design approach for development of simulation models to study and analyze the transmission of 10 Gbps DQPSK signal over a single channel Peer to Peer link using Matlab Simulink. The simulation model considers the different optical components used in link design with their behavior represented initially by theoretical interpretation, including the transmitter topology, Mach Zehnder Modulator(MZM) module and, the propagation model for optical fibers etc. thus allowing scope for direct realization in experimental configurations. It provides the flexibility to incorporate the various photonic components as either user-defined or fixed and, can also be enhanced or removed from the model as per the design requirements. We describe the detailed operation and need of every component model and its representation in Simulink blocksets. Moreover the developed model can be extended in future to support Dense Wavelength Division Multiplexing (DWDM) system, thereby allowing high speed transmission with N × 40 Gbps systems. The various compensation techniques and their influence on system performance can be easily investigated by using such models.

42 ENGINEERING↗

DOE OSTI2018

Thermal-Hydraulics Phenomena Important in Modeling and Simulation of Liquid-Fuel Molten Salt Reactors

This paper discusses liquid-fuel molten salt reactors, how they will operate under normal, transient, and accident conditions, and the results of an expert elicitation to determine the corresponding thermalhydraulic phenomena important to understanding their behavior. Identifying these phenomena will enable the U.S. Nuclear Regulatory Commission (NRC) to develop or identify modeling functionalities and tools required to carry out confirmatory analyses that examine the validity and accuracy of an applicant’s calculations and help determine the margin of safety in plant design. NRC frequently does an expert elicitation using a Phenomena Identification and Ranking Table (PIRT) to identify and evaluate the state of knowledge of important modeling phenomena. However, few details about the design of these reactors and the sequence of events during accidents are known, so the process used was considered a preliminary PIRT. A panel met to define phenomena that would need to be modeled and considered the impact/importance of each phenomenon with respect to specific figures-of-merit (FoMs) (e.g., salt temperature, velocity, and composition). Each FoM reflected a potential impact on radionuclide release or loss of a barrier to release. The panel considered what the path forward might be with respect to being able to model the phenomenon in a simulation code. Results are explained for both thermal and fast spectrum designs.

42 ENGINEERING↗