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In this contribution, we report on recent progress in coupled-cluster simulations of open-shell atomic nuclei using interactions consistently derived from chiral effective field theory. In particular, we compare different coupled-cluster approaches by computing binding energies and electric dipole polarizabilities in medium-mass calcium isotopes.
This project is dedicated towards designing a fuel processing system that enables liquid-fueled molten salt reactors (MSR) to load follow by removing the dissolved xenon in the fuel salt. As one of the Gen-IV nuclear reactor concepts, the molten salt reactor receives increasing development interests in the recent years. One distinguishing feature of the liquid-fueled molten salt reactor is its improved ability to operate in a load-following mode by including the unique online fission product removal system. Load-following means that the reactor changes its power output based on the demand on the grid. Most of the current operating nuclear reactors have limited load-following ability and operate as the base load on the grid. Due to the rapid increase of solar energy, the requirement on load-following capacity is significantly increased because of the varying power output of the solar panels, yet the traditional load-following capacity is expected to decrease as the decarbonization of the grid continues. Therefore, the ability to perform load-following operation for the nuclear reactors will greatly enhance the resilience of the grid and make nuclear energy more economically competitive. This load-following feature is included in many commercial molten salt reactor designs, such as the designs by Transatomic Power, Terrestrial Energy, and Flibe Energy. Unfortunately, detailed analysis of the fuel processing system for commercial scale MSRs is still lacking, as well as how the fuel processing quantitively impacts the load-following operation. Moreover, experimental data for many of the underlying physics of fuel processing is limited. This project aims to pave the way for the fuel processing technology to advance to the commercial stage by performing combined experimental and simulation research. During the project period, four interconnected aspects of the development of the fuel processing system in liquid-fueled molten salt reactors are investigated. These aspects are the simulation and analysis of the fission product removal system, the fuel cycle simulation, the coupled reactor neutronics and thermal hydraulics transient simulation, and the gaseous fission product removal experiment. Multiphase CFD simulations are performed for components of the processing systems, and simplified air-water experiments are carried out to provide validation data. It is concluded that the CFD simulation can satisfactorily predict the system level performance of the components, and engineering models are constructed based on this success. Fuel cycle analysis is performed for two representative MSR design, the MSBR and the Transatomic Power MSR. Open-source code SaltProc is developed to incorporate the unique fuel processing system of the MSRs. It is concluded that the removal of xenon is essential for load-following operation in thermal spectrum MSR and Molten Salt Breeder Reactor. For the Transatomic Power MSR, the xenon poisoning effect is negligible due to its relatively fast neutron spectrum, though the overall fuel cycle economics still benefits from the removal of xenon. Coupled reactor neutronics and thermal hydraulics transient simulation is performed specifically for the Transatomic Power MSR. It is concluded that the reactor core design could perform power ramping fast enough to satisfy load-following operation. Combining the findings from each aspect, it is concluded that the load-following operation of a thermal neutron MSR is dependent upon the removal of xenon, which could be achieved for a commercial sized reactor using continuous inert gas sparging in a separate system with reasonable dimensions.
This work demonstrates new functionality and applications stemming from the development of high-fidelity to low-fidelity (high-low) coupling for system simulations and to further explore the capabilities of the Risk Analysis Virtual Environment (RAVEN) in the performance of uncertainty quantification in this kind of high-low coupled system models. The work builds from previous work on high-low coupling that utilized COBRA-TF (CTF), the high-fidelity subchannel analysis code, with a low fidelity model built in ORNL’s TRANSFORM, the system analysis code, utilizing the Functional Mock-Up Interface (FMI). Steady-state and transient analysis examples using the high/low coupled models generated from CTF and TRANSFORM/FMI are investigated. The workflows for both steady-state and transient coupled simulations are described. A steady-state parameter sweep and uncertainty analysis of the primary flow rates and reactor power are demonstrated. Likewise, a transient pump trip and power ramp sensitivity studies are also demonstrated. This work elucidates some of the potential benefits and future needs of using RAVEN for high/low system coupling analysis of energy systems. It also shows some of the difficulties that can be encountered in coupling system simulations.
In this paper a recently developed coupling between system code TRACE and nodal neutronics code Ants is presented. The TRAC/RELAP Advanced Computational Engine (TRACE) is a reactor system code developed by U.S. Nuclear Regulatory Commission (NRC). The code has been designed to analyse loss-of-coolant accidents (LOCAs), operational transients and other accident scenarios in light water reactors. Ants is the reduced order nodal neutronics code of the Kraken framework. The diffusion solution method in Ants is based on the Analytic Function Expansion Nodal method (AFEN) and Flux Expansion Nodal Method (FENM). Rectangular, hexagonal and triangular geometries are supported. Both steady state and burnup problems including micro-depletion can be simulated. The coupling is implemented using VTT's multi-physics driver Cerberus and the Exterior Communications Interface (ECI) which is supplied with TRACE and enables the coupling of TRACE without source code modifications. The main focus in the paper is on describing the TRACE-Ants coupling in detail in order to share to other code developers what we have learned from the ECI based coupling process. The coupled code system is briefly tested by simulating a simple transient in a SMR core initiated by control rod movement. The results of the test calculation look reasonable and more complicated test cases will be modelled in the near future.
A robust, simple-to-use workflow is developed in this study which allows mesoscale information from the NOW-23 database to be easily incorporated into microscale wind farm simulations. This process will enable many different wind farm configurations to be simulated under realistic inflow conditions spanning a variety of atmospheric phenomena.
It is challenging to simulate open quantum systems that are connected to a reservoir through multiple channels. For example, vibrations may induce fluctuations in both energy gaps and electronic couplings, which represent two independent channels of system–bath couplings. Systems of this kind are ubiquitous in the processes of excited state radiationless decay. Combined with density matrix renormalization group (DMRG) and matrix product states (MPS) methods, we develop an interaction-picture chain mapping strategy for vibrational reservoirs to simulate the dynamics of these open systems, resulting in time-dependent spatially local system–bath couplings in the chain-mapped Hamiltonian. This transformation causes the entanglement generated by the system–bath interactions to be restricted within a narrow frequency window of vibrational modes, enabling efficient DMRG/MPS dynamical simulations. We demonstrate the utility of this approach by simulating singlet fission dynamics using a generalized spin-boson Hamiltonian with both diagonal and off-diagonal system–bath couplings. This approach generalizes an earlier interaction-picture chain mapping scheme, allowing for efficient and exact simulation of systems with multi-channel system–bath couplings using matrix product states, which may further our understanding of nonlocal exciton–phonon couplings in exciton transport and the non-Condon effect in energy and electron transfer.
pedestal structure, current profile, and plasma equilibrium physics has been developed and tested against a DIII-D discharge. Here, key features of the achieved core-pedestal coupled workflow are its ability to account for the transport of impurities in the plasma self-consistently, as well as its use of machine learning accelerated models for the pedestal structure and for the turbulent transport physics. Notably, the coupled workflow is implemented within the OMFIT framework, and makes use of the ITER integrated modeling and analysis suite (IMAS) data structure for exchanging data among the physics codes that are involved in the simulations. Such technical advance has been facilitated by the development of a new numerical library named OMAS.
During the winter and subsequent spring of an El Niño year, the East Asian marginal sea (EAMS) exhibits positive sea surface temperature anomalies (SSTAs) and fewer low clouds, while the western North Pacific experiences negative SSTAs. In this study, we suggest that the positive SSTAs in EAMS are maintained by a positive low cloud–SST feedback. In neutral winters and springs, the EAMS is covered by low clouds, which have a cooling effect on surface temperatures. During an El Niño year, a western North Pacific anomalous anticyclone is established, and along its northwestern flank, there are favorable conditions for convergence of moisture and weaker surface latent heat flux over the EAMS. Once a positive SSTA has been established, a further reduction of turbulent mixing results in less low cloud and enhanced solar heating of the ocean mixed layer; this reinforces and maintains both the positive SSTA and the lack of low cloud via a positive feedback mechanism. Further, the concurrent increase of low cloud–SST feedback and anticyclone circulation strengths is evident in the coupled-model simulations from phase 6 of the Coupled Model Intercomparison Project. Furthermore, sensitivity experiments, performed with the atmospheric components of Community Earth System Model (CESM2), reveal that a positive SSTA helps to maintain the western North Pacific anomalous anticyclone. Four pacemaker-coupled experiments by CESM2, with sea surface temperature in the equatorial Pacific restored to the observational anomalies plus the model climatology and altered low cloud feedback over EAMS, suggest that the low cloud–SST feedback results in more than the maintenance of a positive SSTA over the EAMS: the positive feedback is also a previously overlooked mechanism for the maintenance of the western North Pacific anomalous anticyclone.
This report describes FY17 progress on Nuclear Power Plant mechanical component flooding fragility experiments and supporting research. The progress includes execution of full scale component fragility experiments, design and implementation of improvements to the Portal Evaluation Tank, experiment design exploiting the improved Portal Evaluation Tank capabilities, fragility mathematical model development, Smoothed Particle Hydrodynamic simulations and RAVEN coupling, wave impact simulation device design, and pipe rupture mechanics research. Additionally, a component flooding experiments steering committee charter was developed and initial committee member invitations were issued. Various laboratory tours also occurred including a tour for the Idaho State Board of Education.
This application note describes how the Xyce circuit simulator can be coupled with external simulators via either a Python-based interface that leverages the Python ctypes foreign function library or via the Verilog Procedural Interface (VPI). It also documents the usage of these interfaces on RHEL6 and RHEL7, with Python 2.6 or 2.7. These interfaces are still under development and may change in the future. So, a key purpose of this application note is to solicit feedback on these interfaces from both internal Sandia Xyce users and other performers on the DARPA Posh Open Source Hardware (POSH) program.
This application note describes how Release 6.11 of the Xyce circuit simulator can be coupled with external simulators via either a Python-based interface that leverages the Python ctypes foreign function library or via the Verilog Procedural Interface (VPI). It also documents the usage of these interfaces on RHEL6 and RHEL7, with Python 2.6 or 2.7. These interfaces are still under development and may change in the future. So, a key purpose of this application note is to solicit feedback on these interfaces from both internal Sandia Xyce users and other performers on the DARPA Posh Open Source Hardware (POSH) program.
This application note describes how Release 7.1 of the Xyce circuit simulator can be coupled with external simulators via either a Python-based interface that leverages the Python ctypes foreign function library or via the Verilog Procedural Interface (VPI). It also documents the usage of these interfaces on RHEL7 with Python 2.6 or 2.7. These interfaces are still under development and may change in the future. So, a key purpose of this application note is to solicit feedback on these interfaces from both internal Sandia Xyce users and other performers on the DARPA Posh Open Source Hardware (POSH) program.
Concerns regarding noise, propulsive efficiency, and fuel burn are inspiring aircraft designs wherein the propulsive turbomachines are partially (or fully)embedded within the airframe; such designs present serious concerns with regard to aerodynamic and aeromechanic performance of the compression system in response to inlet distortion. Previously, a preliminary design of a forward-swept high-speed fan exhibited flutter concerns in clean-inlet flows, and the present author then studied this fan further in the presence of off-design distorted in-flows. A three-dimensional, unsteady, Navier-Stokes computational fluid dynamics code is applied to analyze and corroborate fan performance with clean inlet flow. This code, already validated in its application to assess aerodynamic damping of vibrating blades at various flow conditions using a loosely-coupled approach, is modified to include a tightly-coupled aeroelastic simulation capability, and then loosely-coupled and tightly-coupled methods arecompared in their evaluation of flutter stability in distorted in-flows.
In relativistic field theories, the mass spectrum is given by the difference between the energy of the vacuum and the excited states. Near the continuum limit, the cancellation between these two values leads to loss of precision. We propose a method to extract the mass gap directly using quantum computers and apply it to a particular version of the nonlinear $σ$-model with the correct continuum limit and perform calculations in quantum hardware (at strong coupling) and simulation in classical computers (at weak coupling).
Abstract To enhance our understanding of cloud simulations over land, this study provides the first assessment of coupling between cloud and land surface in the Large‐Eddy Simulation (LES) Atmospheric Radiation Measurement Symbiotic Simulation and Observation (LASSO) activity for the shallow convection scenario. The analysis of observation data reveals a diurnal cycle of cloud‐land coupling, which co‐varies with surface fluxes. However, coupled (or decoupled) cumulus clouds are inadequately simulated, manifesting as a too‐high (or low) occurrence frequency during the afternoon. This discrepancy is mirrored by the overestimated cloud liquid water path and cloud‐top height. These overestimations are linked to the overpredicted boundary‐layer development and the easier trigger of shallow convection misrepresented in LES runs. Our study underscores the need to improve the representations of boundary‐layer processes and cloud‐land interactions within LES to better simulate shallow clouds in the future.
Abstract The sea ice component of the Community Earth System Model version 2 (CESM2) contains new “mushy‐layer” physics that simulates prognostic salinity in the sea ice, with consequent modifications to sea ice thermodynamics and the treatment of melt ponds. The changes to the sea ice model and their influence on coupled model simulations are described here. Two simulations were performed to assess the changes in the vertical thermodynamics formulation with prognostic salinity compared to a constant salinity profile. Inclusion of the mushy layer thermodynamics of Turner et al. (2013, https://doi.org/10.1002/jgrc.20171 ) in a fully coupled Earth system model produces thicker and more extensive sea ice in the Arctic, with relatively unchanged sea ice in the Antarctic compared to simulations using a constant salinity profile. While this is consistent with the findings of uncoupled ice‐ocean model studies, the role of the frazil and congelation growth is more important in fully coupled simulations. Melt pond drainage is also an important contribution to simulated ice thickness differences as also found in the uncoupled simulations of Turner and Hunke (2015; https://doi.org/10.1002/2014JC010358 ). However, it is an interaction of the ponds and the snow fraction that impacts the surface albedo and hence the top melt. The changes in the thermodynamics and resulting ice state modify the ice‐ocean‐atmosphere fluxes with impacts on the atmosphere and ocean states, particularly temperature.
We have simulated the plasma dynamics of a quasi-two-dimensional current filament in ionosphere-magnetosphere coupling. The simulation consists of a set of one-dimensional flux tube simulations with different imposed time-dependent, field-aligned currents. The dynamical interactions of the individual current filaments with the ionospheric and magnetospheric plasma generate kV field-aligned potential drops along the field lines, and the side-by-side display exhibits the evolution of the implied potential structure in the horizontal direction. The primary cross-field motion produced by the horizontal E-field (ExB drift) is perpendicular to both of the significant spatial directions, and is thus ignorable in this geometry. The effects of other cross-field drict processes are discussed. The simulation thus provides insight into the dynamical evolution of 2D potential structures driven by an imposed finite-width field-aligned current profile. Spatial and temporal variation of other plasma parameters (temperatures, density, etc.) that are determined primarily by parallel transport effects are also displayed.