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At least 1,225 records · Page 68

Fusion RF Modeling Machine Learning (FusionML_RF) v1.0

FusionML_RF consists of multiple codes and trained machine learning (ML) models that perform low-cost output modeling from the Genray-CQL3D. Three machine learning techniques (multilayer perceptron, random forest, and Gaussian process) provide fast surrogate models for lower hybrid current drive (LHCD) simulations. For example, completing a single GENRAY/CQL3D simulation without radial diffusion of fast electrons requires several minutes of wall-clock time. On the other hand, these ML models achieve ~ms of inference time with high accuracy across the input parameter space. This software collection consists of multiple components. (1) codes that use ML methods and precomputed Genray-CQL3D simulation output to build regression models that enable approximate computations of Genray-CLQ3D outputs from arbitrary but physically meaningful input parameters (surrogate modeling); (2) three trained models created by the team, using a database of 16,000+ GENRAY/CQL3D simulations, to study the performance of ML models for surrogate modeling; (3) codes that load the trained models and simulation data, and then compute mean squared error between the models' predictions and the ground truth of simulation output data. This collection is being made available in conjunction with a scientific publication about the work to promote reusability and provide an artifact of the scientific work.

Bai, Zhe↗

ASME Code change proposal to implement new universal high temperature constitutive models for Section III, Division 5

This report completes work on a universal high temperature constitutive model suitable for use with the ASME Boiler & Pressure Vessel Code Section III, Division 5 rules for the design by inelastic analysis of Class A nuclear reactor components. The goals of this work are to provide a simple model form that adequately captures the high temperature response of materials and can be applied to any future Code material. Additionally, the report describes an automated process for calibrating a model against test data. The idea is to simplify the effort required to generate a constitutive model for an arbitrary material, provided test data is available. This will accelerate the process of qualifying new Code materials in the future. In addition, the report provides calibrated models and detailed validation comparisons to test data for five currently-qualified or soon-to-be qualified materials: 316H, Grade 91, Alloy 800H, Alloy 617, and Alloy 709. The report surveys the available data for the remaining two ASME Class Materials --- 2.25Cr-1Mo and 304H --- concluding that there is enough data data to generate a model for 2.25Cr-1Mo steel provided some additional sources of non-public data can be included in the test database, but that a dedicated cyclic test campaign would be needed for 304H. Supplemental material includes the full text of an ASME Code change proposal to incorporate the models for the four currently-qualified Class A material, detailed validation comparisons to test data for the five material models, and input files for reference implementations of the constitutive models in the NEML and NEML2 modeling frameworks.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Toward exascale whole-device modeling of fusion devices: Porting the GENE gyrokinetic microturbulence code to GPU

GENE solves the five-dimensional gyrokinetic equations to simulate the development and evolution of plasma microturbulence in magnetic fusion devices. The plasma model used is close to first principles and computationally very expensive to solve in the relevant physical regimes. In order to use the emerging computational capabilities to gain new physics insights, several new numerical and computational developments are required. Here, we focus on the fact that it is crucial to efficiently utilize GPUs (graphics processing units) that provide the vast majority of the computational power on such systems. In this paper, we describe the various porting approaches considered and given the constraints of the GENE code and its development model, justify the decisions made, and describe the path taken in porting GENE to GPUs. We introduce a novel library called gtensor that was developed along the way to support the process. Performance results are presented for the ported code, which in a single node of the Summit supercomputer achieves a speed-up of almost 15× compared to running on central processing unit (CPU) only. Typical GPU kernels are memory-bound, achieving about 90% of peak. Our analysis shows that there is still room for improvement if we can refactor/fuse kernels to achieve higher arithmetic intensity. We also performed a weak parallel scalability study, which shows that the code runs well on a massively parallel system, but communication costs start becoming a significant bottleneck.

Germaschewski, K. (ORCID:0000000284956354)↗

Dynamics of genetic code evolution: The emergence of universality

We study the dynamics of genetic code evolution. The model of Vetsigian et al. [Proc. Natl. Acad. Sci. USA 103, 10696 (2006)] and Vetsigian [Collective evolution of biological and physical systems, Ph.D. thesis, 2005] uses the mechanism of horizontal gene transfer to demonstrate convergence of the genetic code to a near universal solution. We reproduce and analyze the algorithm as a dynamical system. All the parameters used in the model are varied to assess their impact on convergence and optimality score. We show that by allowing specific parameters to vary with time, the solution exhibits attractor dynamics. Finally, we study automorphisms of the genetic code arising due to this model. We use this to examine the scaling of the solutions to re-examine universality and find that there is a direct link to mutation rate.

59 BASIC BIOLOGICAL SCIENCES↗

Modeling betatron radiation using particle-in-cell codes for plasma wakefield accelerator diagnostics

The analysis of plasma wakefield acceleration experimental measurements, particularly in the characterization of photons emitted through the betatron radiation mechanism, requires the development of accurate numerical models. These computational models are crucial for supporting modern instrumentation designed to measure the single-shot, double-differential angular-energy radiation spectra resulting from interactions between beams and plasmas. Motivated by the needs of such applications, this paper presents detailed numerical models of betatron radiation generated in beam-plasma acceleration experiments. These models are based on the integration of the Liénard-Wiechert (LW) potentials, applied to computed particle trajectories. The particle trajectories are generated using three distinct methods: first, by tracking particles through idealized fields in the blowout regime of PWFA; second, by obtaining trajectories using the fast quasistatic particle-in-cell (PIC) code quickpic; and third, obtaining trajectories from the fully self-consistent PIC code osiris. To ensure the accuracy and reliability of these models, the paper includes various benchmark tests using analytical expressions, as well as employing the PIC code epoch, which takes an alternative approach by using a Monte Carlo quantum electrodynamics (QED)-based radiation model. Additionally, the paper presents simulations of the expected experimental betatron radiation spectra, taking into account parameters relevant to PWFA and plasma photocathode experiments at the SLAC FACET-II facility.

Yadav, M. [University of California, Los Angeles, ↗

SNL-NJOY-2016

This is a wrapper around the LANL NJOY-2016 code that interfaces with extended code capabilities and minor modification of the LANL NJOY-2016 code that supports modeling radiation damage to materials. The NJOY Nuclear Data Processing System is a modular computer code designed to read evaluated data in ENDF format, transform the data in various ways, and output the results as libraries designed to be used in various applications. The wrapper provided here permits Sandia-specific control parameters to be used in the input data file. The modifications incorporated here enhance the ability of NJOY to address material damage response functions for many materials, e.g. to include the NRT and arc-dpa forms of the damage energy in addition to the default NJOY-2016 implementation of the sharp-threshold Kinchin-Pease threshold energy treatment. All of the modifications provided here are being made available to the GitHub-based NJOY-2016 code. As useful enhancements found here are incorporated into the baseline NJOY-2016 code, they will be eliminated from this version so as to maintain our compatibility with the baseline NJOY-2016 code. SAND2020-13060 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-NA00035

Griffin, Patrick↗

SN 2018fif: The Explosion of a Large Red Supergiant Discovered in Its Infancy by the Zwicky Transient Facility

High-cadence transient surveys are able to capture supernovae closer to their first light than ever before. Applying analytical models to such early emission, we can constrain the progenitor stars' properties. Here, we present observations of SN 2018fif (ZTF 18abokyfk). The supernova was discovered close to first light and monitored by the Zwicky Transient Facility (ZTF) and the Neil Gehrels Swift Observatory. Early spectroscopic observations suggest that the progenitor of SN 2018fif was surrounded by relatively small amounts of circumstellar material compared to all previous cases. This particularity, coupled with the high-cadence multiple-band coverage, makes it a good candidate to investigate using shock-cooling models. We employ the SOPRANOS code, an implementation of the model by Sapir & Waxman and its extension to early times by Morag et al. Compared with previous implementations, SOPRANOS has the advantage of including a careful account of the limited temporal validity domain of the shock-cooling model as well as allowing usage of the entirety of the early UV data. We find that the progenitor of SN 2018fif was a large red supergiant with a radius of $R={744.0}_{-128.0}^{+183.0}\,{R}_{\odot }$ and an ejected mass of ${M}_{\mathrm{ej}}={9.3}_{-5.8}^{+0.4}\,{M}_{\odot }$. Our model also gives information on the explosion epoch, the progenitor's inner structure, the shock velocity, and the extinction. The distribution of radii is double-peaked, with smaller radii corresponding to lower values of the extinction, earlier recombination times, and a better match to the early UV data. If these correlations persist in future objects, denser spectroscopic monitoring constraining the time of recombination, as well as accurate UV observations (e.g., with ULTRASAT), will help break the extinction/radius degeneracy and independently determine both.

79 ASTRONOMY AND ASTROPHYSICS↗

Development of a four-dimensional variational analysis system using the adjoint method at GLA. I - Dynamics

Recent developments in the field of data assimilation have pointed to variational analysis (essentially least-squares fitting of a model solution to observed data) using the adjoint method as a new direction that holds the potential of major improvements over the current optimal interpolation method. This paper describes the initial effort in the development of a 4D variational analysis system. Although the development is based on the Goddard Laboratory for Atmospheres General Circulation Model (GCM), the methods and procedures described in this paper can be applied to any model. The adjoint code that computes the gradients needed in the analysis can be written directly from the GCM code. An easy error-detection technique was devised in the construction of the adjoint model. Also, a method of determining the weights and the preconditioning scales for the cases where model-generated data, which are error free, are used as observation is proposed. Two test experiments show that the dynamics part of the system has been successfully completed.

Chao, Winston C.↗

Ablator Response Model Development: From Flight Data Back to Fundamental Experiments

The successful Mars atmospheric entry by the Mars Science Laboratory (MSL-Curiosity) combined with the success of the Earth atmospheric entry by the Stardust capsule have established PICA as a major Thermal Protection Systems (TPS) material. We expect that this class of materials will be on the short list selected by NASA for any atmospheric entry missions and that it will be the lead of that list of materials in any planning, feasibility studies or flight readiness studies. In addition to NASAs successes, the Dragon capsule, the successful commercial space vehicle built by SpaceX, uses PICA-X, while the European Space Agency is considering ASTERM for its exploration missions that involve atmospheric entries, both of these materials are of the same family as PICA. In the talk, a high-fidelity model will be detailed and discussed. The model tracks the chemical composition of the gases produced during pyrolysis. As in the conventional models, it uses equilibrium chemistry to determine the recession rate at high temperatures but switches to in-volume finite-rate ablation for lower temperatures. It also tracks the time evolution of the porosity of the material. Progress in implementing this high-fidelity model in a code will be presented. In addition, a set of basic experimental data being supported for model validation will be summarized. The validation process for the model development will be discussed. Preliminary results will be presented for a case where detailed pyrolysis product chemistry is computed. Finally, a wish list for a set of validation experiments will be outlined and discussed.

Mansour, Nagi N.↗

Macro-scale Testing and Micromechanics Modeling of Fracture Behaviors for Boron Carbide Composites with Hierarchical Microstructures

With a unique combination of properties including high hardness, low density, wear and corrosion resistance, thermal stability, high neutron absorption, and semi-conductivity, boron carbide (B4C) is a candidate material for various engineering applications that involve extreme environment. The current applications of boron carbide, however, are limited by its intrinsic brittleness due to its strong covalent bonding. To toughen boron carbide, in this work hierarchical microstructure designs was used to provide multiple toughening mechanisms including crack deflection/bridging, micro-crack toughening, etc. Using field assisted sintering, B4C composites with hierarchical microstructure features including graphite platelets, micron and sub-micron sized TiB2 reinforcements were fabricated. The fracture toughness of fabricated B4C composites were previously measured at micro-scale using micro-indentation followed by post-testing microstructure inspection. However, questions including whether the fracture toughness enhancement measured at micro-scale can translate to macro-scale mechanical properties, and what are the fundamental mechanisms behind observed fracture toughness enhancement, remain to be answered. In this study, the fabricated B4C composites were tested using standardized four-point bending method to obtain fracture toughness at macro-scale. In addition, micromechanics modeling was conducted using MAC/GMC code and crack-band model to study the effect of residual stress and weak interphases on fracture behaviors of B4C composites reinforced with TiB2 particles. Through standardized four-point bending tests, fracture toughness enhancements up to 2.85, 3.32, and 3.65 MPa∙m(exp 1/2) (from 2.38 MPa∙m(exp 1/2)) were achieved for B4C composites with graphite platelets addition (micro/nano B4C), with TiB2 formation (micro B4C-TiB2), and with both graphite and TiB2 addition (micro/nano B4C-TiB2) respectively. Micromechanics modeling indicated that introduction of thermal residual stress and weak interphases caused enhanced micro-cracking behavior and resulted in the observed fracture toughness enhancement. These results furthered understanding about the mechanical behaviors at macro-scale and the mechanisms behind observed fracture toughness enhancement for B4C composites with hierarchical microstructures and can provide reference data for the future design of B4C composites with optimized microstructures for further fracture toughness enhancement.

Boron Carbide↗

SN 2018fif: The Explosion of a Large Red Supergiant Discovered in its Infancy by the Zwicky Transient Facility

High-cadence transient surveys are able to capture supernovae closer to their first light than ever before. Applying analytical models to such early emission, we can constrain the progenitor stars' properties. In this paper, we present observations of SN 2018fif (ZTF 18abokyfk). The supernova was discovered close to first light and monitored by the Zwicky Transient Facility (ZTF) and the Neil Gehrels Swift Observatory. Early spectroscopic observations suggest that the progenitor of SN 2018fif was surrounded by relatively small amounts of circumstellar material compared to all previous cases. This particularity, coupled with the high-cadence multiple-band coverage, makes it a good candidate to investigate using shock-cooling models. We employ the SOPRANOS code, an implementation of the model by Sapir & Waxman and its extension to early times by Morag et al. Compared with previous implementations, SOPRANOS has the advantage of including a careful account of the limited temporal validity domain of the shock-cooling model as well as allowing usage of the entirety of the early UV data. We find that the progenitor of SN 2018fif was a large red supergiant with a radius of R = 744.0 (sup +183.0) (sub -128.0) R⨀ and an ejected mass of M(sub ej) = 9.3 (sup +0.4)(sub -5.8) M⨀. Our model also gives information on the explosion epoch, the progenitor's inner structure, the shock velocity, and the extinction. The distribution of radii is double-peaked, with smaller radii corresponding to lower values of the extinction, earlier recombination times, and a better match to the early UV data. If these correlations persist in future objects, denser spectroscopic monitoring constraining the time of recombination, as well as accurate UV observations (e.g., with ULTRASAT), will help break the extinction/radius degeneracy and independently determine both.

Supernovae↗

An Energy Calculator for Simple Commercial Buildings

According to the EIA, simple commercial buildings account for 97% of total commercial building stock. However, most simple commercial buildings for example small- to mid-sized offices, retail, schools and warehouses do not benefit from the data-driven decision-making capabilities of whole-building energy modeling. The high cost of custom modeling limits the use of energy modeling of simple buildings for new construction or retrofit measures. Lack of tools providing helpful information on interactive savings estimates creates difficulties in meeting aggressive decarbonization and energy efficiency goals for simple building designers and utility program managers. This paper reviews a beta phase Simple Building Calculator with the ability to generate relatively accurate and interactive modeling results based on a limited but robust set of inputs. It can evaluate whole-building or single measure savings in new or existing buildings, compare measure package choices, or provide simplified performance modeling for energy codes and utility incentives. The tool combines physical (annual whole building prototype simulation) and statistical modeling techniques to predict annual energy performance. It supports a variety of building characteristics for envelope, HVAC, and lighting with parameters ranging from vintage to max tech configurations, as well as support for single-zone and simple multi-zone HVAC systems. The Simple Building Calculator was designed to provide immediate feedback for otherwise computationally intensive tasks like measure comparison, development of multiple measure package combinations, or verification that measures meet efficiency targets—all with the goal of providing a tool for quick annual energy simulation of simple commercial buildings.

Hart, Reid↗

Interpenetrating Plasma Simulations

This project investigated multifluid models for simulating interpenetrating plasmas. These models solve the Euler equations for each plasma stream along with an appropriate model for electron dynamics. The project developed a novel code, Euclid, that simulates these models using high-order conservative spatial discretization methods and explicit and semi-implicit time integration methods. Euclid was used to solve several multifluid test cases representative of plasma dynamics in high-energy density physics experiments. Kinetic simulations of interpenetrating flows using the LOKI code revealed novel physical effects of the ion-ion streaming instability. A new multi-flow collision operator was developed for the LOKI code. A simple model of the ion-ion streaming instability was also developed. Several presentations were given on the project results; three journal articles have been published, one has been submitted, and two are planned.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Physics Based Model for Cryogenic Chilldown and Loading. Part IV: Code Structure

This is the fourth report in a series of technical reports that describe separated two-phase flow model application to the cryogenic loading operation. In this report we present the structure of the code. The code consists of five major modules: (1) geometry module; (2) solver; (3) material properties; (4) correlations; and finally (5) stability control module. The two key modules - solver and correlations - are further divided into a number of submodules. Most of the physics and knowledge databases related to the properties of cryogenic two-phase flow are included into the cryogenic correlations module. The functional form of those correlations is not well established and is a subject of extensive research. Multiple parametric forms for various correlations are currently available. Some of them are included into correlations module as will be described in details in a separate technical report. Here we describe the overall structure of the code and focus on the details of the solver and stability control modules.

cryogenic fluid management↗

Toward a CFD nose-to-tail capability - Hypersonic unsteady Navier-Stokes code validation

Computational fluid dynamics (CFD) research for hypersonic flows presents new problems in code validation because of the added complexity of the physical models. This paper surveys code validation procedures applicable to hypersonic flow models that include real gas effects. The current status of hypersonic CFD flow analysis is assessed with the Compressible Navier-Stokes (CNS) code as a case study. The methods of code validation discussed to beyond comparison with experimental data to include comparisons with other codes and formulations, component analyses, and estimation of numerical errors. Current results indicate that predicting hypersonic flows of perfect gases and equilibrium air are well in hand. Pressure, shock location, and integrated quantities are relatively easy to predict accurately, while surface quantities such as heat transfer are more sensitive to the solution procedure. Modeling transition to turbulence needs refinement, though preliminary results are promising.

Edwards, Thomas A.↗

Linking classical PRA models to a dynamic PRA

Here, this paper presents a series of methods designed to incorporate classical Probabilistic Risk Assessment (PRA) models such as Event Trees (ETs) and Fault Trees (FTs) into dynamic PRA. In contrast to classical PRA, dynamic PRA couples stochastic methods with system simulators to determine the risks associated with complex systems such as nuclear power plants. Compared with classical PRA methods, they can evaluate with higher resolution the safety impact of timing and sequencing of events on the progression of the accident. As part of a dynamic PRA analysis, it is not uncommon that parts of the system to be analyzed might not require a computationally expensive simulation model. These parts could be in fact modeled by employing classical PRA models (e.g., a FT). Here, we present a set of methods and tools that can be used to link the most common classical PRA models (ETs, FTs, reliability block diagrams and Markov models) to simulation codes such as RELAP5-3D: creating a “hybrid PRA.” In order to show the potential of such an hybrid PRA we employ this method to verify ET modeling assumptions (e.g., success criteria) using a large break loss of coolant accident initiating event as a test case. In this respect, we link a set of FTs from the original PRA to the RELAP5-3D code and perform a hybrid PRA. The FTs are employed to model the control logic of several safety systems and to propagate component failures throughout the system. Provided the generated dynamic PRA data, we show how conservative assumptions in the original PRA can be identified and how such original PRA can be modified by updating success criteria captured by the set of RELAP5-3D simulation runs.

97 - MATHEMATICS AND COMPUTING↗

Mini Report: LLMs on Code Translation

The goal of this mini report is to give opinions on the current state of the art in large language model (LLM) assisted code translation, which aims to replicate the behavior of a program written in one programming language to another. The first section provides our overall sense of literature and suggested directions of research, and the second section summarizes a few of the most relevant papers in greater depth.

97 MATHEMATICS AND COMPUTING↗

An algebraic turbulence model for turbomachinery

This paper presents a description and verification of RVC3D (rotor viscous code 3-D) which provides a Euler or Navier-Stokes analysis for steady three dimensional flows in turbomachinery. A motivation for this analysis is the calculation of turbine endwall heat transfer. Features of the turbulence model code include thin-layer formulation, Baldwin-Lomax or Cebeci-Smith turbulence models, node-centered finite difference formulation, and explicit four-stage Runge-Kutta time marching scheme. Results for flat plate, annular turbine cascade, turbine endwall heat transfer, and supersonic compressor blade test cases are presented.

Chima, Rodrick V.↗