Development Verification and Application of the SNL-SWAN Open Source Wave Farm Code.
Abstract not provided.
Ruehl, Kelley Michelle↗
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Accelerating the Open Source Multiphase Flow Code MFIX-DEM
Presented by NETL at Council for Chemical Research 2015 Annual Meeting, 05/15
Musser, Jordan↗
An Assessment of Some Design Constraints on Heat Production of a 3D Conceptual EGS Model Using an Open-Source Geothermal Reservoir Simulation Code
Performance of heat production process over a 30-year period is assessed in a conceptual EGS model with a geothermal gradient of 65K per km depth in the reservoir. Water is circulated through a pair of parallel wells connected by a set of single large wing fractures. The results indicate that the desirable output electric power rate and lifespan could be obtained under suitable material properties and system parameters. A sensitivity analysis on some design constraints and operation parameters indicates that 1) the fracture horizontal spacing has profound effect on the long-term performance of heat production, 2) the downward deviation angle for the parallel doublet wells may help overcome the difficulty of vertical drilling to reach a favorable production temperature, and 3) the thermal energy production rate and lifespan has close dependence on water mass flow rate. The results also indicate that the heat production can be improved when the horizontal fracture spacing, well deviation angle, and production flow rate are under reasonable conditions. To conduct the reservoir modeling and simulations, an open-source, finite element based, fully implicit, fully coupled hydrothermal code, namely FALCON, has been developed and used in this work. Compared with most other existing codes that are either closed-source or commercially available in this area, this new open-source code has demonstrated a code development strategy that aims to provide an unparalleled easiness for user-customization and multi-physics coupling. Test results have shown that the FALCON code is able to complete the long-term tests efficiently and accurately, thanks to the state-of-the-art nonlinear and linear solver algorithms implemented in the code.
enhanced geothermal system↗
Divertor heat load estimates on NSTX and DIII-D using new and open-source 2D inversion analysis code
A thermography inversion algorithm has been developed in the open-source Python-based computer code, HYPERION, to calculate the heat flux incident on plasma-facing components (PFCs) in axisymmetric tokamaks. The chosen mesh size at the surface significantly affects the calculated transient heat flux results. The calculated transient heat flux will exceed the real value when the mesh size tends to zero but will underestimate the real value when the mesh size is large. A criterion for determining the appropriate mesh size for the transient heat flux calculation will be discussed. The numerical scheme for HYPERION uses a 2D fully implicit finite-difference approach, allowing temperature-dependent thermal properties of PFC materials. The inversion algorithm is benchmarked against established heat flux calculation codes, TACO and THEODOR, based on thermography data from NSTX and DIII-D respectively. The primary benefits of HYPERION compared to TACO and THEODOR are that it is open-source and it allows for the optimization of mesh thickness along the substrate. The algorithm also accounts for the thermal properties of thin surface layers that characteristically form on PFCs due to plasma-material interactions. The agreement between HYPERION and THEODOR is excellent, as the percent difference between the codes is ~5% on average in the case of the DIII-D data for moderate to high heat flux. Verification tests with TACO show slightly higher average percent differences of 8% and 12%. In using HYPERION to study filaments in heat flux, the initial results indicate that small ELMs filaments significantly broaden the divertor heat flux, and decrease divertor peak flux. Compared to the inter-ELM, the small ELM filaments decrease the divertor peak surface temperature. With intermittent divertor filaments, the divertor heat flux width is comparable with that found in L-mode.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Implementation of the transient fixed-source problem in the neutron transport code PROTEUS-MOC
Not Available
Nguyen, Tat Nghia (ORCID:0000000324298908)↗
Autoradiography Using OSL for Monitoring Warhead Dismantlement
The use of radiation imaging techniques to provide increased confidence in a dismantlement verification regime is still under investigation. Currently, radiation measurements can be used to confirm attributes such as the presence, quality, and mass of containerized nuclear material. However, imaging techniques can be used to confirm the shape, size, and/or symmetry of the object being interrogated. Imaging can be used as a complementary technique to radiation measurements to confirm a declaration or as a chain of custody measure to confirm that an item has not been tampered with. As with other attribute measurements, the image data must be protected behind an information barrier and analyzed to give an unclassified result when compared to an agreed upon threshold. This paper will discuss the use of Optically Stimulated Luminescence to perform autoradiography of sources using coded apertures to differentiate between point sources and various distributed sources. The coded aperture chosen for this application is based on modified uniform redundant arrays (mURAs) which resulted in the design and manufacture of an efficient, high-resolution mURA mask/antimask system. The potential use of the autoradiography technique with the coded aperture as an intrinsic information barrier and the required protection of the mask and unfolding algorithm will also be discussed. This project has been supported by the US Department of Energy’s National Nuclear Security Administration’s Office of Dismantlement and Transparency (DOE/NNSA/NA-241).
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Viscoplastic selfconsistent (VPSC) code (version 8, open source)
VPSC is a mean-field polycrystal plasticity code for the prediction of the mechanical response and microstructure evolution of polycrystalline aggregates. The VPSC code is the computational realization of the visco-plastic self-consistent theory of polycrystal deformation. Both the theory and details of its numerical implementation were originally reported by R.A. Lebensohn and C.N. Tomé: "A self-consistent approach for the simulation of plastic deformation and texture development of polycrystals: application to Zirconium alloys", Acta Metallurgica et Materialia 41, 2611 (1993). Since then, the VPSC code has experienced several improvements and extensions and it is nowadays extensively used to simulate plastic deformation of polycrystalline aggregates and to interpret experimental evidence on metals, minerals and polymers.
Lebensohn, Ricardo↗
\texttt{qec\_code\_sim}: An open-source Python framework for estimating the effectiveness of quantum-error correcting codes on superconducting qubits
Quantum computers are highly susceptible to errors due to unintended interactions with their environment. It is crucial to correct these errors without gaining information about the quantum state, which would result in its destruction through back-action. Quantum Error Correction (QEC) provides information about occurred errors without compromising the quantum state of the system. However, the implementation of QEC has proven to be challenging due to the current performance levels of qubits -- break-even requires fabrication and operation quality that is beyond the state-of-the-art. Understanding how qubit performance factors into the success of a QEC code is a valuable exercise for tracking progress towards fault-tolerant quantum computing. Here we present \texttt{qec\_code\_sim}, an open-source, lightweight Python framework for studying the performance of small quantum error correcting codes under the influence of a realistic error model appropriate for superconducting transmon qubits, with the goal of enabling useful hardware studies and experiments. \texttt{qec\_code\_sim} requires minimal software dependencies and prioritizes ease of use, ease of change, and pedagogy over execution speed. As such, it is a tool well-suited to small teams studying systems on the order of one dozen qubits.
Lopez, Santiago↗
AOI 1 — Computational Energy Sciences: Multiphase Flow Research: High-fidelity multi-phase radiation module for modern coal combustion systems (Final Scientific/Technical Report)
The effects of radiation in particle-laden flows were the object of the present research. The presence of particles increases optical thickness substantially, making the use of the “optically thin” approximation in most cases a very poor assumption. However, since radiation fluxes peak at intermediate optical thicknesses, overall radiative effects may not necessarily be stronger than in gas combustion. Also, the spectral behavior of particle radiation properties is much more benign, making spectral models simpler (and making the assumption of a gray radiator halfway acceptable, at least for fluidized beds when gas radiation is not large). On the other hand, particles scatter radiation, making the radiative transfer equation (RTE) much more di fficult to solve. The research carried out in this project encompassed three general areas: (i) assessment of relevant radiation properties of particle clouds encountered in fluidized bed and pulverized coal combustors, (ii) development of proper spectral models for gas–particulate mixtures for various types of two-phase combustion flows, and (iii) development of a Radiative Transfer Equation (RTE) solution module for such applications. The resulting models were validated against artificial cases since open literature experimental data were not available. The final models are in modular form tailored toward maximum portability, and were incorporated into two research codes: (i) the open-source CFD code OpenFOAM, which we have extensively used in our previous work, and (ii) the open-source multi-phase flow code MFIX, which is maintained by NETL.
42 ENGINEERING↗
ALPHANSO: Open-source modeling of (α, n) neutron source terms
Applications ranging from nuclear safeguards to dark matter detection require accurate predictions of neutron yields and energy spectra produced by (α, n) reactions. Legacy tools like SOURCES-4C remain widely used despite significant limitations, including outdated nuclear data, missing target nuclides, and restricted accessibility. Here, we present ALPHANSO, an open-source Python package for calculating (α, n) neutron source terms. ALPHANSO incorporates modern nuclear data libraries and formats covering all naturally occurring target nuclides and provides a transparent, modular framework for updating or extending the data as new evaluations are released. Comparison with an updated version of SOURCES-4A, NeuCBOT, and experimental measurements across a range of elements and materials shows that ALPHANSO reproduces neutron yields and spectra in good agreement with experimental data and state-of-the-art (α, n) calculations. These results demonstrate that ALPHANSO is a reliable, accessible, and modern alternative to legacy (α, n) source term codes such as SOURCES-4C. Its open-source design and modular data handling make it readily extensible to future evaluated nuclear data and low-background applications.
(α, n) reactions↗
Development and Validation of Passive Yaw in the Open-Source WEC-Sim Code
A passive yaw implementation is developed, validated, and explored for the WEC-Sim, an open-source wave energy converter modeling tool that works within MATLAB/Simulink. The Reference Model 5 (RM5) is selected for this investigation, and a WEC-Sim model of the device is modified to allow yaw motion. A boundary element method (BEM) code was used to calculate the excitation force coefficients for a range of wave headings. An algorithm was implemented in WEC-Sim to determine the equivalent wave heading from a body’s instantaneous yaw angle and interpolate the appropriate excitation coefficients to ensure the correct time-domain excitation force. This approach is able to determine excitation force for a body undergoing large yaw displacement. For the mathematically simple case of regular wave excitation, the dynamic equation was integrated numerically and found to closely approximate the results from this implementation in WEC-Sim. A case study is presented for the same device in irregular waves. In this case, computation time is increased by 32x when this interpolation is performed at every time step. To reduce this expense, a threshold yaw displacement can be set to reduce the number of interpolations performed. A threshold of 0.01° was found to increase computation time by only 22x without significantly affecting time domain results. Similar amplitude spectra for yaw force and displacements are observed for all threshold values less than 1°, for which computation time is only increased by 2.2x.
50 EE - Wind and Water Power Program - Water (EE-4↗
Preliminary Validation of the Shift Monte Carlo Code for Fixed-Source Radiation Transport Problems
Simulations of neutron and photon transport using the Shift Monte Carlo radiation transport code are compared with experimental measurements and their corresponding benchmark simulations from several sets of experiments. Overall, Shift results match the calculations made by the benchmark teams quite well and match the measured values, which typically have large uncertainties, fairly well. A variety of attenuation/scattering problems are examined, as well as a streaming problem and a skyshine problem.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
VULCAN: An Open-source, Validated Chemical Kinetics Python Code for Exoplanetary Atmospheres
We present an open-source and validated chemical kinetics code for studying hot exoplanetary atmospheres, which we name VULCAN. It is constructed for gaseous chemistry from 500 to 2500 K, using a reduced C–H–O chemical network with about 300 reactions. It uses eddy diffusion to mimic atmospheric dynamics and excludes photochemistry. We have provided a full description of the rate coefficients and thermodynamic data used. We validate VULCAN by reproducing chemical equilibrium and by comparing its output versus the disequilibrium-chemistry calculations of Moses et al. and Rimmer and Helling. It reproduces the models of HD 189733b and HD 209458b by Moses et al., which employ a network with nearly 1600 reactions. We also use VULCAN to examine the theoretical trends produced when the temperature–pressure profile and carbon-to-oxygen ratio are varied. Assisted by a sensitivity test designed to identify the key reactions responsible for producing a specific molecule, we revisit the quenching approximation and find that it is accurate for methane but breaks down for acetylene, because the disequilibrium abundance of acetylene is not directly determined by transport-induced quenching, but is rather indirectly controlled by the disequilibrium abundance of methane. Therefore we suggest that the quenching approximation should be used with caution and must always be checked against a chemical kinetics calculation. A one-dimensional model atmosphere with 100 layers, computed using VULCAN, typically takes several minutes to complete. VULCAN is part of the Exoclimes Simulation Platform (ESP; exoclime.net) and publicly available at https://github.com/exoclime/VULCAN.
79 ASTRONOMY AND ASTROPHYSICS↗
HELIOS–RETRIEVAL: An Open-source, Nested Sampling Atmospheric Retrieval Code; Application to the HR 8799 Exoplanets and Inferred Constraints for Planet Formation
We present an open-source retrieval code named HELIOS–RETRIEVAL, designed to obtain chemical abundances and temperature–pressure profiles by inverting the measured spectra of exoplanetary atmospheres. In our forward model, we use an exact solution of the radiative transfer equation, in the pure absorption limit, which allows us to analytically integrate over all of the outgoing rays. Two chemistry models are considered: unconstrained chemistry and equilibrium chemistry (enforced via analytical formulae). The nested sampling algorithm allows us to formally implement Occam’s Razor based on a comparison of the Bayesian evidence between models. We perform a retrieval analysis on the measured spectra of the four HR 8799 directly imaged exoplanets. Chemical equilibrium is disfavored for HR 8799b and c. We find supersolar C/H and O/H values for the outer HR 8799b and c exoplanets, while the inner HR 8799d and e exoplanets have a range of C/H and O/H values. The C/O values range from being superstellar for HR 8799b to being consistent with stellar for HR 8799c and being substellar for HR 8799d and e. If these retrieved properties are representative of the bulk compositions of the exoplanets, then they are inconsistent with formation via gravitational instability (without late-time accretion) and consistent with a core accretion scenario in which late-time accretion of ices occurred differently for the inner and outer exoplanets. For HR 8799e, we find that spectroscopy in the K band is crucial for constraining C/O and C/H. HELIOS–RETRIEVAL is publicly available as part of the Exoclimes Simulation Platform (http://www.exoclime.org).
79 ASTRONOMY AND ASTROPHYSICS↗
Benchmarking and validation of global model code for negative hydrogen ion sources
Benchmarking and validation are prerequisites for using simulation codes as predictive tools. In this work, we have developed a Global Model for Negative Hydrogen Ion Source (GMNHIS) and performed benchmarking of the GMNHIS against another independently developed code, Global Enhanced Vibrational Kinetic Model (GEVKM). This is the first study to propose a quite comprehensive benchmarking test of this kind for models of negative hydrogen ion sources (NHIS), and excellent agreements have been achieved for collisional energy loss per electron-ion pair created, electron number density, electron temperature, densities of H$^{+}_{3}$ and H$^{+}_{2}$ ions, and densities of H(n = 1–3) atoms. Very small discrepancies in number densities of H - ions and H + ions, as well as the vibrational distribution function of hydrogen molecules, can be attributed to the differences in the chemical reactions datasets. The GEVKM includes additional chemical reactions that are more important at high pressures. Moreover, we validated the GMNHIS against experimental data obtained in an electron cyclotron resonance discharge used for H - production. The model qualitatively (and even quantitatively for certain conditions) reproduces the experimental H - number density. The H - number density as a function of pressure first increases at pressures below 1.6 Pa and then saturates for higher pressures. This dependence was analyzed by evaluating contributions from different reaction pathways to the creation and loss of the H - ions. The developed codes can be used for predicting the H - production, improving the performance of NHIS, and ultimately optimizing the parameters of negative ion beams for fusion reactors.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
Development and Validation of Passive Yaw in the Open-Source WEC-Sim Code: Preprint
A passive yaw implementation is developed, validated, and explored for the Wave Energy Converter Simulator (WEC-Sim), an open-source wave energy converter modeling tool that works within MATLAB/Simulink. The Reference Model 5 (RM5) is selected for this investigation, and a WEC-Sim model of the device is modified to allow yaw motion. A boundary element method (BEM) code was used to calculate the excitation force coefficients for a range of wave headings. An algorithm was implemented in WEC-Sim to determine the equivalent wave heading from a body’s instantaneous yaw angle and interpolate the appropriate excitation coefficients to ensure the correct time-domain excitation force. This approach is able to determine excitation force for a body undergoing large yaw displacement. For the mathematically simple case of regular wave excitation, the dynamic equation was integrated numerically and found to closely approximate the results from this implementation in WEC-Sim. A case study is presented for the same device in irregular waves. In this case, computation time is increased by 32x when this interpolation is performed at every time step. To reduce this expense, a threshold yaw displacement can be set to reduce the number of interpolations performed. A threshold of 0.01 was found to increase computation time by only 22x without significantly affecting time domain results. Similar amplitude spectra for yaw force and displacements are observed for all threshold values less than or equal to 1, for which computation time is only increased by 2.2x.
50 EE - Wind and Water Power Program - Water (EE-4↗
Monaural Music Source Separation using Convolutional Sparse Coding
We present a comprehensive performance study of a new time-domain approach for estimating the components of an observed monaural audio mixture. Unlike existing time-frequency approaches that use the product of a set of spectral templates and their corresponding activation patterns to approximate the spectrogram of the mixture, the proposed approach uses the sum of a set of convolutions of estimated activations with prelearned dictionary filters to approximate the audio mixture directly in the time domain. The approximation problem can be solved by an efficient convolutional sparse coding algorithm. The effectiveness of this approach for source separation of musical audio has been demonstrated in our prior work, but under rather restricted and controlled conditions, requiring the musical score of the mixture being informed a priori and little mismatch between the dictionary filters and the source signals. In this paper, we report an evaluation that considers wider, and more practical, experimental settings. This includes the use of an audio-based multipitch estimation algorithm to replace the musical score, and an external dataset of audio single notes to construct the dictionary filters. Here, our result shows that the proposed approach remains effective with a larger dictionary, and compares favorably with the state-of-the-art nonnegative matrix factorization approach. However, in the absence of the score and in the case of a small dictionary, our approach may not be better.
97 MATHEMATICS AND COMPUTING↗
Comprehensive comparison of two tracking codes for single-particle dynamics evaluation of a next-generation storage ring light source
Next-generation light sources based on the multibend achromat concept place great reliance on the accuracy of beam dynamics modeling. To ensure the success of such light sources, confirmation of design performance with at least two independent codes is prudent. The APS Upgrade (APS-U) lattice has been designed using the code ELEGANT, which has existing and new features that are needed by the design. Corresponding, independent improvements have recently been made to the accelerator toolbox (AT), in order to permit an independent check of nonlinear dynamics predictions. The new developments include the modeling of combined-function bending magnets with straight geometry and improved fringe field effects of quadrupole magnets. Calculations of linear and nonlinear lattice parameters and particle tracking results were compared, showing remarkable agreement was found between the two independently developed codes. This provides significant confirmation of the feasibility of the APS-U design.
storage ring↗