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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A robust and efficient generalized real cascade model

This paper describes a new separation cascade model that allows for arbitrary cascade connectivity and includes the effects of mixing, material losses and generalized separation element performance. The model also accommodates mixtures with an arbitrary number of component species. The mathematical and numerical framework of this model includes both time-dependent and steady state cascade simulation. Robust numerical approximations of the continuous mathematical model are accomplished using the Sundials suite of nonlinear algebraic and differential-algebraic equation solvers. Verification of the model is accomplished using manufactured solutions while validation is demonstrated by comparison to published experimental results and benchmarks.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Godiva IV Shielding Benchmark Overview [Slides]

This presentation shows that Integral experiments increase the level of realism from that of data measurements. Further, Godiva IV is capable of intensities to activate foils. IER 498 uses a relative measurement to provide an intermediate level of realism. With reproducibility and room return management are key components. The test matrix put forward in CED-2 enables numerous cross-comparisons. IER 498 facilitates various additional works using a room return shield to isolate the source. IER 557 demonstrated burst reproducibility sufficient for IER 498.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Enabling Low-Temperature (LTP) Ignition Technologies for Multi-Mode Engines through the Development of a Validated High-Fidelity LTP Model for Predicative Simulations Tools

The goal of multi-mode engine architectures is to extend current lean-burn dilution limits with renewable fuels, which requires spark plugs to deposit high energies (hundreds of mJ) in order to initiate ignition and complete combustion. At elevated energy deposition rates, spark plugs experience increased electrode erosion and thermal losses, which ultimately shortens the spark-plug lifetime and lowers ignition efficiency. As such, in order to safeguard the efficiency gains of multi-mode concepts, new and improved ignition technologies are required. Recently, non-equilibrium low-temperature plasmas (LTP) have been shown to promote energy-efficient ignition via quenching and transport of electronically excited atoms and molecules, selective radical production and fast heating of hydrocarbon/air mixtures [1-2]. Thus, LTP is seen as a technology that can potentially improve the energy extraction efficiency of fuels, while enabling kinetically controlled combustion modes towards fuel leaner conditions to realize current DOE VTO goals of improving the sustainability of future mobility [3]. Although many previous studies have demonstrated the efficacy of plasma-assisted ignition to enhance combustion, the detailed enhancement mechanisms remain largely unknown, especially for oxygenated fuels and at elevated pressures that are most relevant to practical engine conditions. These barriers hinder the development of accurate and comprehensive numerical models that seek to describe LTP-based ignition in existing engine design software tools and methods. Current state-of-the-art simulation capabilities for LTP ignition systems are in need of improvements since they deliver qualitative results only due to important limitations of existing approaches. Firstly, validated kinetic models with elementary steps for plasma discharges in oxygenated fuel/air mixtures of relevance to the transportation sector are required. Such kinetic models do not exist at present and will be developed and validated within this project. Secondly, plasma discharges and reactive mixture ignition are multi-scale, unsteady processes requiring high-performance numerical methods and software that execute efficiently on DOE supercomputers. Such software does not exist at present and will be developed and applied to practical LTP ignition scenarios as part of this project. Thirdly, experimental databases that are tailored to serve as benchmark in support of the development of predictive computational models of LTP ignition do not exist and will be part of this project.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2022

Development of machine learning framework for interface force closures based on bubble tracking data

Interfacial force closures in the two-fluid model play a critical role for the predictive capabilities of void fraction distribution. However, the practices of interfacial force modeling have long been challenged by the inherent physical complexity of the two-phase flows. The rapidly expanding computational capabilities in the recent years have made high-fidelity data from the interface-captured direct numerical simulation become more available, and hence potential for data-driven interfacial force modeling has prevailed. In this work, we established a data-driven modeling framework integrated to the HZDR multiphase Eulerian-Eulerian framework for computational fluid dynamics simulations. The data-driven framework is verified in a benchmark problem, where a feedforward neural network managed to capture the non-linear mapping between bubble Reynolds number and drag coefficient and reproduce the void distribution resulting from the baseline model in the test case. The second focus is on utilizing the bubble tracking data set to form a closure for the bubble drag in the turbulent bubbly flow, in which the drag coefficient is set to be correlated with the bubble Reynolds number and the Eötvös number. Pseudo-steady state filtering in the Frenet Frame was carried out to obtain the drag coefficient from the turbulent bubbly flow data. The performance of the data-driven drag model is also examined through a case study, where improvement of model’s prediction near-wall is regarded necessary. In conclusion, discussion and further plans of investigation are provided.

42 ENGINEERING↗
DOE OSTI2015

Plasma wakefield acceleration studies using the quasi-static code WAKE

The quasi-static code WAKE [P. Mora and T. Antonsen, Phys. Plasmas 4, 217 (1997)] is upgraded to model the propagation of an ultra-relativistic charged particle beam through a warm background plasma in plasma wakefield acceleration. The upgraded code is benchmarked against the full particle-in-cell code OSIRIS [Hemker et al., Phys. Rev. Spec. Top. Accel. Beams 3, 061301 (2000)] and the quasi-static code QuickPIC [Huang et al., J. Comput. Phys. 217, 658 (2006)]. The effect of non-zero plasma temperature on the peak accelerating electric field is studied for a two bunch electron beam driver with parameters corresponding to the plasma wakefield acceleration experiments at Facilities for Accelerator Science and Experimental Test Beams. It is shown that plasma temperature does not affect the energy gain and spread of the accelerated particles despite suppressing the peak accelerating electric field. The role of plasma temperature in improving the numerical convergence of the electric field with the grid resolution is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Benchmark Exercise Report for Experimental Study of Bubble Scrubbing in Water Coolant Pool

Mechanistic assessments of radionuclide release during postulated accidents are expected to be included in advanced reactor license applications. The mechanistic source term (MST) provides an opportunity for vendors to realistically evaluate the radiological consequences of an incident, and may aid in justifying reduced emergency planning zones and plant sites. However, the development of MSTs for advanced nuclear reactors is challenging because there are numerous phenomena that can affect the transport and retention of radionuclides. As part of a trial MST assessment for a metal-fueled, pool-type sodium cooled fast reactor (SFR), led by Argonne National Laboratory, a simplified radionuclide transport code (SRT code) was developed, which includes models to estimate the quantity of fission product aerosols scrubbed in the sodium pool during postulated accident scenarios. In a pool-type SFR, when fission products are released into the coolant pool due to failure of fuel pins, most of the radionuclides are scrubbed by the coolant pool, but some have the potential to migrate to the cover gas region through entrainment within gas bubbles. The SRT code contains a model that evaluates this scrubbing behavior and calculates the fraction of fission product aerosols that reach the cover gas. Due to a lack of available validation data for sodium pool scrubbing, the U.S. Department of Energy funded an experiment at the University of Wisconsin-Madison to measure aerosol scrubbing by injecting air bubbles containing aerosol into a coolant pool. Prior to performing an experiment with liquid sodium, a water loop experiment was performed. Their experiment evaluated the effect of changing the aerosol size, aerosol density, aerosol concentration, bubble size, and pool depth on the aerosol scrubbing efficiency of the pool. In this benchmark experiment, the base tests were conducted by repeated tests of isolated bubbles. Afterwards, more prototypic tests with bubble swarms were performed to evaluate the interactions between the bubbles. The bubble swarm test was able to confirm that a larger amount of aerosol scrubbing occurred than the single bubble test. It was also confirmed that as the bubble size, aerosol density, and pool height increase, the extent of pool scrubbing also increases and does not change with the aerosol concentration. In addition, since the degree of scrubbing is the lowest at aerosol sizes between 0.01 and 1 μm, that is, the largest amount of aerosol is emitted, it was confirmed that the analysis of this size in MST is the most important. This benchmark experiment informs the direction of future sodium experiments.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

ENDF/B-VIII.1

The ENDF/B-VIII.1 release is the newest evaluated nuclear data library produced, distributed, and recommended by CSEWG for use in nuclear science and technology applications. Among the many key advances, relative to the previous version ENDF/B-VIII.0, are: re-evaluation of 239Pu file by a joint international effort; updated 16,18O, 19F, 28-30Si, 50-54Cr, 55Mn, 54,56,57Fe, 63,65Cu, 139La, 233,235,238U, and 240,241Pu neutron nuclear data by the IAEA-coordinated INDEN collaboration; significant changes for 3He, 6Li, 9Be, 51V, 88Sr, 103Rh, 140,142Ce, Dy, 181Ta, Pt, 206-208Pb, and 234,236U neutron data; new nuclear data for the photo-nuclear, being 196 adopted from the IAEA2019 Photonuclear Data Library and one new file from JENDL-5; and new evaluations for the charged-particle and atomic sublibraries. Numerous thermal neutron scattering kernels were re-evaluated or provided for the very first time. Additionally, new covariance testing was implemented. ENDF/B-VIII.1 reduced bias in the simulations of many integral experiments with particular progress noted for fluorine, copper and stainless steel containing benchmarks. Data issues which had hindered the deployment of ENDF/B-VIII.0 for commercial nuclear power applications in high burn-up situations, were addressed. ENDF/B-VIII.1 data are distributed in both ENDF-6 and GNDS formats.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
NASA NTRS2003

Gust Acoustic Response of a Single Airfoil Using the Space-Time CE/SE Method

A 2D parallel Euler code based on the space-time conservation element and solution element (CE/SE) method is validated by solving the benchmark problem I in Category 3 of the Third CAA Workshop. This problem concerns the acoustic field generated by the interaction of a convected harmonic vortical gust with a single airfoil. Three gust frequencies, two gust configurations, and three airfoil geometries are considered. Numerical results at both near and far fields are presented and compared with the analytical solutions, a frequency-domain solver GUST3D solutions, and a time-domain high-order Discontinuous Spectral Element Method (DSEM) solutions. It is shown that the CE/SE solutions agree well with the GUST3D solution for the lowest frequency, while there are discrepancies between CE/SE and GUST3D solutions for higher frequencies. However, the CE/SE solution is in good agreement with the DSEM solution for these higher frequencies. It demonstrates that the CE/SE method can produce accurate results of CAA problems involving complex geometries by using unstructured meshes.

Scott, James↗
DOE OSTI2010

Recent MARS15 developments: nuclide inventory, DPA and gas production

Recent developments in the MARS15 code are described for the critical modules related to demands of hadron and lepton colliders and Megawatt proton and heavy-ion beam facilities. Details of advanced models for particle production and nuclide distributions in nuclear interactions at low and medium energies, energy loss, atomic displacements and gas production are presented along with benchmarking against data. Recent developments in the MARS15 physics models, such as nuclide production, decay and transmutation and all-component DPA modelling for arbitrary projectiles in the 1 keV to 10 TeV energy range, add new capabilities to the code crucial in numerous applications with high-intensity high-power beams. Some discrepancies in DPA rate predictions by several codes, relation of DPA and H/He production rates to changes in material properties, as well as corresponding experimental studies at energies above a hundred of MeV are the areas requiring further efforts.

43 PARTICLE ACCELERATORS↗
DOE OSTI2010

Recoil Polarization Measurements of the Proton Electromagnetic Form Factor Ratio to Q{sup 2}=8.5 GeV{sup 2}

Among the most fundamental observables of nucleon structure, electromagnetic form factors are a crucial benchmark for modern calculations describing the strong interaction dynamics of the nucleon's quark constituents; indeed, recent proton data have attracted intense theoretical interest. In this Letter, we report new measurements of the proton electromagnetic form factor ratio using the recoil polarization method, at momentum transfers Q{sup 2}=5.2, 6.7, and 8.5 GeV{sup 2}. By extending the range of Q{sup 2} for which G{sub E}{sup p} is accurately determined by more than 50%, these measurements will provide significant constraints on models of nucleon structure in the nonperturbative regime.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Validation of a Hybrid Domain Overlapping Coupling Between SAM and CFD Against the TALL-3D Transients

The System Thermal Hydraulics (STH) code SAM has been coupled to the Computational Fluid Dynamics (CFD) code Simcenter STAR-CCM+ utilizing a hybrid domain overlapping method with an explicit coupling in time. The coupling aims to extend the STH code’s applicability to scenarios where local momentum and energy transfers are important yet difficult for STH codes to capture, such as three-dimensional (3D) mixing. The coupling method’s numerical stability was verified in the past against two closed-loop configurations, and it was validated against a double T-junction experiment with 3D scalar mixing. In the present work, the coupling method is validated against the TALL-3D STH/CFD coupling benchmark facility. TALL-3D is a three-legged, liquid-metal facility with a large, pool-type enclosure (test section) that exhibits 3D flow effects to be modeled by a CFD code. The rest of the system exhibits approximately 1D behavior well-predicted by an STH code. First, the present STAR-CCM+ CFD model of the 3D test section is validated against experimental data. Then, the SAM-STARCCM+ coupled model is validated against six different TALL-3D steady states, including SAM standalone model results for comparison. Lastly, the SAM-STARCCM+ coupled model is validated against two TALL-3D transients, one exhibiting flow reversal in the test section and one exhibiting nonlinear, Limit Cycle Oscillations (LCO). For the first transient, the SAM-STARCCM+ coupled model properly predicts an increase in the test section’s inlet temperature during flow reversal, and this is not predicted by the SAM standalone model. Following flow reversal, the SAM-STARCCM+ coupled model better-predicts the initial flow recovery and following oscillations as the system approaches a final natural circulation state. For the second transient, no true final steady state is observed due to LCO. Neither the SAM-STARCCM+ coupled model nor the SAM standalone model can perfectly capture the experiment’s changing oscillation frequency during the transient. However, the SAM-STARCCM+ coupled model does reproduce the oscillatory feedback observed in the system. This is a significant achievement as the SAM-STARCCM+ coupled model only uses an explicit coupling in time, as opposed to a semi-implicit coupling. In comparison, previous STH/CFD coupling efforts of the TALL-3D facility required semi-implicit coupling to obtain similar results.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Matrix-Model Simulations Using Quantum Computing, Deep Learning, and Lattice Monte Carlo

Matrix quantum mechanics plays various important roles in theoretical physics, such as a holographic description of quantum black holes, and it underpins the only practical numerical approach to the study of complex high-dimensional supergravity theories. Understanding quantum black holes and the role of entanglement in a holographic setup is of paramount importance for the realization of a quantum theory of gravity. Moreover, a complete numerical understanding of the holographic duality and the emergence of geometric space-time features from microscopic degrees of freedom could pave the way for new discoveries in quantum information science. Euclidean lattice Monte Carlo simulations are the de facto numerical tool for understanding the spectrum of large matrix models and have been used to test the holographic duality. However, they are not tailored to extract dynamical properties or even the quantum wave function of the ground state of matrix models. Quantum computing and deep learning provide potentially useful approaches to study the dynamics of matrix quantum mechanics. If successful in the context of matrix models, these rapidly improving numerical techniques could become the new Swiss army knife of quantum gravity practitioners. In this paper, we perform the first systematic survey for quantum computing and deep-learning approaches to matrix quantum mechanics, comparing them to lattice Monte Carlo simulations. These provide baseline benchmarks before addressing more complicated problems. In particular, we test the performance of each method by calculating the low-energy spectrum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Hardware-Conscious Optimization of the Quantum Toffoli Gate

While quantum computing holds great potential in combinatorial optimization, electronic structure calculation, and number theory, the current era of quantum computing is limited by noisy hardware. Many quantum compilation approaches can mitigate the effects of imperfect hardware by optimizing quantum circuits for objectives such as critical path length. Few approaches consider quantum circuits in terms of the set of vendor-calibrated operations (i.e., native gates) available on target hardware. This manuscript expands the analytical and numerical approaches for optimizing quantum circuits at this abstraction level. We present a procedure for combining the strengths of analytical native gate-level optimization with numerical optimization. Although we focus on optimizing Toffoli gates on the IBMQ native gate set, the methods presented are generalizable to any gate and superconducting qubit architecture. Our optimized Toffoli gate implementation demonstrates an 18% reduction in infidelity compared with the canonical implementation as benchmarked on IBM Jakarta with quantum process tomography. Assuming the inclusion of multi-qubit cross-resonance (MCR) gates in the IBMQ native gate set, we produce Toffoli implementations with only six multi-qubit gates, a 25% reduction from the canonical eight multi-qubit implementations for linearly connected qubits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Major improvements on the longwave radiative interactions between surface and clouds in the Polar Regions in atmospheric global circulation model (GCM). Final Project Report

1. Summary of Work and Accomplishments in Year 1 (01/15/2015-01/14/2016). We developed new ice cloud parameterizations based on state-of-the-art MODIS Collection 6 (MC6) ice particle model. Features of the model include the consideration of surface roughness of ice crystals and spectral consistency in cloud property retrievals. Using more than 14,000 particle size distributions (PSDs) from in-situ measurements and the latest ice particle single-scattering property library, our parameterizations provide band-averaged bulk-scattering properties. According to statistics of fittings, the parameterization schemes represent the band-averaged bulk-scattering properties very well. Compared to the ice particle model developed by Fu (1998), flux simulations with the MC6 particle model result in larger upward flux at the top of the atmosphere (TOA) and smaller at the surface for typical cirrus clouds. In the assessment of the effect of longwave light scattering, our results also support the conclusions of previous studies. The error in flux calculations reaches about 10 W/m 2 when a cirrus cloud is thin and its particle size is small. 2. Summary of Work and Accomplishments in Year 2 (01/15/2016-01/14/2017) Clouds are a major modulator of the global radiation budgets. However, representations of clouds in general circulation models (GCMs) neglect many important processes, particularly those related to ice clouds. One major uncertainty source is the radiative transfer scheme in GCMs. To reduce the computational burden in most GCMs, absorption is the only radiative transfer process considered in longwave spectral bands. Recently, a state-of-the-art MC6 ice model has been available, which provides spectral consistency in ice cloud retrievals. With an advanced light scattering library for ice particles, we performed sensitivity studies of the potential impacts on the climate including light scattering for MC6 model and other 11 ice cloud models. Specifically, we modified RRTMG_LW (the GCM version of Longwave Rapid Radiative Transfer Model), a radiative transfer module widely used in GCMs and numerical prediction models, to identify flux simulation differences with and without considering light scattering processes. The simulations with light scattering come from a rigorous radiative solver, DISORT (Discrete Ordinates Radiative Transfer Program for a Multi-Layered Plane-Parallel Medium), are used as benchmarks. The results show that the weighted annual mean biases of RRTMG_LW for the upward flux at the top of the atmosphere, the downward flux at the surface, and the net flux into the atmosphere are about 0.8 ± 0.3, -0.1 ± 0.05, and -0.7 ± 0.3 W m-2, respectively. According to the different the ice crystal shapes, the weighted annual mean bias for heating rate is about -0.006 ± 0.02 to 0.04 K/day. 3. Summary of Work and Accomplishments in Year 3 (01/15/2017-01/14/2018) Since absorption dominates optical properties of clouds in the longwave (LW) spectrum, most of general circulation models (GCMs) only take absorption properties of clouds into account in the radiative transfer modules in order to reduce computational costs. To quantify the biases of excluding LW scattering when clouds exist, we simulated fluxes and heating rates by using satellite data from Cloud-Aerosol Lidar and Infrared Pathfinder Satellite Observation (CALIPSO), CloudSat, Clouds and the Earth’s Radiant Energy System (CERES) and Moderate Resolution Imaging Spectrometer (MODIS) merged products (CCCM) in 2010. In annual global average, neglecting LW scattering causes overestimation by 2.6 W/m 2 for the top-of-atmosphere (TOA) upward fluxes and underestimation by 1.2 W/m 2 for surface downward fluxes. In particular, regional extreme biases are approximately 12 W/m 2 for TOA upward fluxes and are approximately -3.6 W/m 2 for surface downward fluxes, or are approximately 5% of the global averaged outgoing longwave radiation (OLR) and 1% of the global averaged surface downward fluxes, respectively. In terms of heating rates, on average, LW scattering heats the whole atmosphere column by 0.0045 K/day, heats the cloud layers by 0.0420 K/day, heats the surface by 0.028 K/day, and cools the tropopause by 0.018 K/day.

58 GEOSCIENCES↗
NASA NTRS2000

Passivity-based Robust Control of Aerospace Systems

This report provides a brief summary of the research work performed over the duration of the cooperative research agreement between NASA Langley Research Center and Kansas State University. The cooperative agreement which was originally for the duration the three years was extended by another year through no-cost extension in order to accomplish the goals of the project. The main objective of the research was to develop passivity-based robust control methodology for passive and non-passive aerospace systems. The focus of the first-year's research was limited to the investigation of passivity-based methods for the robust control of Linear Time-Invariant (LTI) single-input single-output (SISO), open-loop stable, minimum-phase non-passive systems. The second year's focus was mainly on extending the passivity-based methodology to a larger class of non-passive LTI systems which includes unstable and nonminimum phase SISO systems. For LTI non-passive systems, five different passification. methods were developed. The primary effort during the years three and four was on the development of passification methodology for MIMO systems, development of methods for checking robustness of passification, and developing synthesis techniques for passifying compensators. For passive LTI systems optimal synthesis procedure was also developed for the design of constant-gain positive real controllers. For nonlinear passive systems, numerical optimization-based technique was developed for the synthesis of constant as well as time-varying gain positive-real controllers. The passivity-based control design methodology developed during the duration of this project was demonstrated by its application to various benchmark examples. These example systems included longitudinal model of an F-18 High Alpha Research Vehicle (HARV) for pitch axis control, NASA's supersonic transport wind tunnel model, ACC benchmark model, 1-D acoustic duct model, piezo-actuated flexible link model, and NASA's Benchmark Active Controls Technology (BACT) Wing model. Some of the stability results for linear passive systems were also extended to nonlinear passive systems. Several publications and conference presentations resulted from this research.

Kelkar, Atul G.↗
NASA NTRS2002

Calculation and Correlation of the Unsteady Flowfield in a High Pressure Turbine

Forced vibrations in turbomachinery components can cause blades to crack or fail due to high-cycle fatigue. Such forced response problems will become more pronounced in newer engines with higher pressure ratios and smaller axial gap between blade rows. An accurate numerical prediction of the unsteady aerodynamics phenomena that cause resonant forced vibrations is increasingly important to designers. Validation of the computational fluid dynamics (CFD) codes used to model the unsteady aerodynamic excitations is necessary before these codes can be used with confidence. Recently published benchmark data, including unsteady pressures and vibratory strains, for a high-pressure turbine stage makes such code validation possible. In the present work, a three dimensional, unsteady, multi blade-row, Reynolds-Averaged Navier Stokes code is applied to a turbine stage that was recently tested in a short duration test facility. Two configurations with three operating conditions corresponding to modes 2, 3, and 4 crossings on the Campbell diagram are analyzed. Unsteady pressures on the rotor surface are compared with data.

Bakhle, Milind A.↗
DOE OSTI2016

Finite Volume Method Based Neutronic Solvers for Steady and Transient Analysis of Molten Salt Reactors

In recent years, the coupled neutronics and thermal hydraulics analysis becomes more and more important, because it helps to identify the most relevant safety issues without conservative assumptions. In addition, such coupled simulations are essential for the generation IV advanced nuclear power systems such as molten salt reactor (MSR), because the presence of strong coupling between different phenomena, like the transport of delayed neutron precursors by the fluid flow?. Due to the different discretization methods used in reactor physics analysis and thermal-hydraulics analysis, it is hard to couple different kinds of codes. This work presents an attempt to solve the multigroup neutron diffusion equation with the finite volume method which is quite widely used for the numerical simulation of a variety of applications involving fluid flow and heat and mass transfer. The unstructured finite volume method (FVM) based on open source C++ library OpenFOAM was chosen as the development platform?. The objective of this paper is to concisely present the main features of the developed codes in terms of the theoretical background and numerical approach and as can be seen in the following sections, the calculation results obtained by the NDSFoam which solves the steady-state neutron diffusion equation and NDTFoam which solves the transient-state neutron diffusion equation are discussed and compared to the benchmark problems. In this paper, two new neutronic solvers using finite volume method have been developed to perform the neutron physics analysis. The solvers are based on OpenFOAM, and have been tested with several steady state and transient-state benchmark problems. By verifications of the codes, it is proved that the development of NDSFoam and NDTFoam are correct. In our future work, both of these two solvers will be coupled with the precompiled CFD solvers in OpenFOAM to analyze the molten salt fast reactors. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2016

Benchmark study of the two-dimensional Hubbard model with auxiliary-field quantum Monte Carlo method

Ground-state properties of the Hubbard model on a two-dimensional square lattice are studied by the auxiliary-field quantum Monte Carlo method. Accurate results for energy, double occupancy, effective hopping, magnetization, and momentum distribution are calculated for interaction strengths of U/t from 2 to 8, for a range of densities including half-filling and n = 0.3,0.5,0.6, 0.75, and 0.875. At half-filling, the results are numerically exact. Away from half-filling, the constrained path Monte Carlo method is employed to control the sign problem. Our results are obtained with several advances in the computational algorithm, which are described in this paper in detail. We discuss the advantages of generalized Hartree-Fock trial wave functions and its connection to pairing wave functions, as well as the interplay with different forms of Hubbard-Stratonovich decompositions. We study the use of different twist angle sets when applying the twist averaged boundary conditions. We propose the use of quasirandom sequences, which improves the convergence to the thermodynamic limit over pseudorandom and other sequences. With it and a careful finite size scaling analysis, we are able to obtain accurate values of ground-state properties in the thermodynamic limit. Detailed results for finite-sized systems up to 16 × 16 are also provided for benchmark purposes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗