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At least 1,747 records · Page 97

FIERRO V.X

FIERRO is a modern C++ code intended to simulate quasi-static solid mechanics problems and transient, compressible material dynamic problems with Lagrangian methods, which have meshes with constant mass elements that move with the material. FIERRO is designed to aid a) material model research that has historically been done using commercial implicit and explicit finite element codes, b) numerical methods research, and c) computer science research. FIERRO supports user developed material models that adhere to several industry standard formats by using a C++ to Fortran interface to couple the model to the numerical solvers. FIERRO is built on the ELEMENTS library that supports a diverse suite of element types, including high-order elements, and quadrature rules. The mesh class within the ELEMENTS library is designed for efficient calculations on unstructured meshes and to minimize memory usage. FIERRO is designed to readily accommodate a range of numerical methods including continuous finite element, finite volume, and discontinuous Galerkin methods. FIERRO is designed to support explicit and implicit time integration methods. FIERRO only supports a single material in an element. No physical data exists within the code.

Morgan, Nathaniel↗

Progress Toward a Format Standard for Flight Dynamics Models

In the beginning, there was FORTRAN, and it was... not so good. But it was universal, and all flight simulator equations of motion were coded with it. Then came ACSL, C, Ada, C++, C#, Java, FORTRAN-90, Matlab/Simulink, and a number of other programming languages. Since the halcyon punch card days of 1968, models of aircraft flight dynamics have proliferated in training devices, desktop engineering and development computers, and control design textbooks. With the rise of industry teaming and increased reliance on simulation for procurement decisions, aircraft and missile simulation models are created, updated, and exchanged with increasing frequency. However, there is no real lingua franca to facilitate the exchange of models from one simulation user to another. The current state-of-the-art is such that several staff-months if not staff-years are required to 'rehost' each release of a flight dynamics model from one simulation environment to another one. If a standard data package or exchange format were to be universally adopted, the cost and time of sharing and updating aerodynamics, control laws, mass and inertia, and other flight dynamic components of the equations of motion of an aircraft or spacecraft simulation could be drastically reduced. A 2002 paper estimated over $ 6 million in savings could be realized for one military aircraft type alone. This paper describes the efforts of the American Institute of Aeronautics and Astronautics (AIAA) to develop a standard flight dynamic model exchange standard based on XML and HDF-5 data formats.

Jackson, E. Bruce↗

Microtearing Instabilities and Electron Thermal Transport in Low and High Collisionality NSTX Discharges

Microtearing mode (MTM) real frequency, growth rate, magnetic fluctuation amplitude and resulting electron thermal transport are studied in systematic NSTX scans of relevant plasma parameters. The dependency of the MTM real frequency and growth rate on plasma parameters, suitable for low and high collision NSTX discharges, is obtained by using the reduced MTM transport model [T. Rafiq, et al., Phys. Plasmas 23, 062507 (2016)]. The plasma parameter dependencies are compared and found to be consistent with the results obtained from MTM using the Gyrokinetic GYRO code. The scaling trend of collision frequency and plasma beta is found to be consistent with the global energy confinement trend observed in the NSTX experiment. The strength of the magnetic fluctuation is found to be consistent with the gyrokinetic estimate.In earlier studies, it was found that the version of the Multi-Mode (MM) anomalous transport model, which did not contain the effect of MTMs, provided an appropriate description of the electron temperature profiles in standard tokamak discharges and not in spherical tokamaks. When the MM model, which involves transport associated with MTMs, is incorporated in the TRANSP code and is used in the study of electron thermal transport in NSTX discharges, it is observed that the agreement with the experimental electron temperature profile is substantially improved.

fusion plasma technology↗

SU-E-J-148: Evaluating Tumor Response with a Commercially Available Deformable Registration System

Purpose: The purpose of this study is to present a method for evaluating the response to treatment using a commercially available deformable image registration software package (Velocity Medical Systems) and repeat PET/CT imaging. This technique can be used to identify volumes that are risk for tumor recurrence. Methods: Response to treatment was evaluated using PET/CT images acquired prior-to and post-treatment for radiation therapy patients treated with concurrent chemotherapy. Velocity (Version 3.0.1) was used to deform the initial PET/CT to the post treatment PET/CT. The post-treatment PET images were then subtracted from the pre-treatment PET images. The resulting re-sampled image is a three-dimensional SUV difference map that shows pixels with increasing SUV values. SUV values increases greater than 2.5 in the post treatment images were identified for additional follow-up. Results: A total of 5 Lung patients were analyzed as part of this study. One lung patient in the cohort had an SUV increase of +3.28 that was identified using the SUV difference map. This volume of increased uptake was located outside the treatment field and adjacent to the 35 Gy isodose line. The remaining four patients all had SUV decreases inside the planning target volume, and no unexpected areas of increase outside the irradiated volumes. All five patients were analyzed using standard tools inside the Velocity application. Conclusion: The response to treatment can easily be measured using serial PET/CT images and a commercially available deformable image registration. This provides both the radiation oncologists and medical oncologists with a quantitative assessment of their treatment to use in patient follow-up.

60 APPLIED LIFE SCIENCES↗

Microtearing instabilities and electron thermal transport in low and high collisionality NSTX discharges

Microtearing mode (MTM) real frequency, growth rate, magnetic fluctuation amplitude and resulting electron thermal transport are studied in systematic NSTX scans of relevant plasma parameters. Here, the dependency of the MTM real frequency and growth rate on plasma parameters, suitable for low and high collision NSTX discharges, is obtained by using the reduced MTM transport model. The plasma parameter dependencies are compared and found to be consistent with the results obtained from MTM using the Gyrokinetic GYRO code. The scaling trend of collision frequency and plasma beta is found to be consistent with the global energy confinement trend observed in the NSTX experiment. The strength of the magnetic fluctuation is found to be consistent with the gyrokinetic estimate. In earlier studies, it was found that the version of the Multi-Mode (MM) anomalous transport model, which did not contain the effect of MTMs, provided an appropriate description of the electron temperature profiles in standard tokamak discharges and not in spherical tokamaks. When the MM model, which involves transport associated with MTMs, is incorporated in the TRANSP code and is used in the study of electron thermal transport in NSTX discharges, it is observed that the agreement with the experimental electron temperature profile is substantially improved.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

WHITE DWARF MERGERS ON ADAPTIVE MESHES. I. METHODOLOGY AND CODE VERIFICATION

The Type Ia supernova (SN Ia) progenitor problem is one of the most perplexing and exciting problems in astrophysics, requiring detailed numerical modeling to complement observations of these explosions. One possible progenitor that has merited recent theoretical attention is the white dwarf (WD) merger scenario, which has the potential to naturally explain many of the observed characteristics of SNe Ia. To date there have been relatively few self-consistent simulations of merging WD systems using mesh-based hydrodynamics. This is the first paper in a series describing simulations of these systems using a hydrodynamics code with adaptive mesh refinement. In this paper we describe our numerical methodology and discuss our implementation in the compressible hydrodynamics code CASTRO, which solves the Euler equations, and the Poisson equation for self-gravity, and couples the gravitational and rotation forces to the hydrodynamics. Standard techniques for coupling gravitation and rotation forces to the hydrodynamics do not adequately conserve the total energy of the system for our problem, but recent advances in the literature allow progress and we discuss our implementation here. We present a set of test problems demonstrating the extent to which our software sufficiently models a system where large amounts of mass are advected on the computational domain over long timescales. Future papers in this series will describe our treatment of the initial conditions of these systems and will examine the early phases of the merger to determine its viability for triggering a thermonuclear detonation.

79 ASTRONOMY AND ASTROPHYSICS↗

Thermochimica

Thermochimica is a software library that determines a unique combination of phases and their compositions at thermochemical equilibrium. Thermochimica can be used for stand-alone calculations or it can be directly coupled to other codes. This release of the software does not have a graphical user interface (GUI) and it can be executed from the command line or from an Application Programming Interface (API). Also, it is not intended for thermodynamic model development or for constructing phase diagrams. The main purpose of the software is to be directly coupled with a multi-physics code to provide material properties and boundary conditions for various physical phenomena. Significant research efforts have been dedicated to enhance computational performance through advanced algorithm development, such as improved estimation techniques and non-linear solvers. Various useful parameters can be provided as output from Thermochimica, such as: determination of which phases are stable at equilibrium, the mass of solution species and phases at equilibrium, mole fractions of solution phase constituents, thermochemical activities (which are related to partial pressures for gaseous species), chemical potentials of solution species and phases, and integral Gibbs energy (referenced relative to standard state). The overall goal is to provide an open source computational tool to enhance the predictive capability of multi-physics codes without significantly impeding computational performance.

Simunovic, Srdjan↗

Concatenated dual displacement code for continuous-variable quantum error correction

The continuous-variable (CV) Gaussian no-go theorem fundamentally limits the suppression of Gaussian displacement errors using only Gaussian gates and states. Prior studies have employed Gottesman-Kitaev-Preskill (GKP) states as ancillary qumodes to suppress small Gaussian displacement errors. However, when the displacement magnitude becomes large, inevitable lattice-crossing errors arise beyond the correctable range of the GKP state. To address this issue, we concatenate the Gaussian-noise-suppression circuit with an outer analog Steane code that corrects such occasional lattice-crossing events as well as other abrupt displacement errors. Contrary to conventional concatenation, which primarily aims to reduce logical error rates, the Steane-GKP duality in encoding provides complementary protection against displacement errors at different scales: The inner GKP layer employs non-Gaussian resources to suppress continuous Gaussian noise and reduce residual variance, while the outer analog Steane code corrects discrete lattice-crossing events that exceed the GKP correctable range. It is precisely this separation of error-mitigation roles that enables CV error correction. In contrast to prior work on concatenating GKP and repetition codes to establish error correction for discrete qubit/qudit encoding, we provide correction in the continuous encoding space. Analytical studies show that, under infinite squeezing, the concatenated code suppresses the variance of Gaussian displacement errors acting on all qumodes by up to 50%, while enabling unbiased correction of lattice-crossing errors with a success probability determined by the ratio between the residual Gaussian error standard deviation and the lattice-crossing magnitude. Even with finite squeezing, the proposed architecture still provides Gaussian-error suppression and lattice-crossing correction. Moreover, the presence of the outer analog Steane code relaxes the squeezing requirement of the inner GKP states, indicating near-term experimental feasibility. This work establishes a viable route toward fault-tolerant continuous-variable quantum computation and provides insight into the design of concatenated CV error-correcting architectures.

quantum error correction↗

SU-E-T-180: Fano Cavity Test of Proton Transport in Monte Carlo Codes Running On GPU and Xeon Phi

Purpose: In proton dose calculation, clinically compatible speeds are now achieved with Monte Carlo codes (MC) that combine 1) adequate simplifications in the physics of transport and 2) the use of hardware architectures enabling massive parallel computing (like GPUs). However, the uncertainties related to the transport algorithms used in these codes must be kept minimal. Such algorithms can be checked with the so-called “Fano cavity test”. We implemented the test in two codes that run on specific hardware: gPMC on an nVidia GPU and MCsquare on an Intel Xeon Phi (60 cores). Methods: gPMC and MCsquare are designed for transporting protons in CT geometries. Both codes use the method of fictitious interaction to sample the step-length for each transport step. The considered geometry is a water cavity (2×2×0.2 cm{sup 3}, 0.001 g/cm{sup 3}) in a 10×10×50 cm{sup 3} water phantom (1 g/cm{sup 3}). CPE in the cavity is established by generating protons over the phantom volume with a uniform momentum (energy E) and a uniform intensity per unit mass I. Assuming no nuclear reactions and no generation of other secondaries, the computed cavity dose should equal IE, according to Fano's theorem. Both codes were tested for initial proton energies of 50, 100, and 200 MeV. Results: For all energies, gPMC and MCsquare are within 0.3 and 0.2 % of the theoretical value IE, respectively (0.1% standard deviation). Single-precision computations (instead of double) increased the error by about 0.1% in MCsquare. Conclusion: Despite the simplifications in the physics of transport, both gPMC and MCsquare successfully pass the Fano test. This ensures optimal accuracy of the codes for clinical applications within the uncertainties on the underlying physical models. It also opens the path to other applications of these codes, like the simulation of ion chamber response.

60 APPLIED LIFE SCIENCES↗

Entity—Hardware-agnostic Particle-in-cell Code for Plasma Astrophysics. I. Curvilinear Special Relativistic Module

Entity is a new-generation, fully open-source particle-in-cell (PIC) code developed to overcome key limitations in astrophysical plasma modeling, particularly the extreme separation of scales and the performance challenges associated with evolving, GPU-centric computing infrastructures. It achieves hardware-agnostic performance portability across various GPU and CPU architectures using the Kokkos library. Crucially, Entity maintains a high standard for usability, clarity, and customizability, offering a robust and easy-to-use framework for developing new algorithms and grid geometries, which allows extensive control without requiring edits to the core source code. This paper details the core general-coordinate special relativistic module. Entity is the first PIC code designed to solve the Vlasov–Maxwell system in general coordinates, enabling a coordinate-agnostic framework that provides the foundational structure for straightforward extension to arbitrary coordinate geometries. The core methodology achieves numerical stability by solving particle equations of motion in the global orthonormal Cartesian basis, despite using generalized coordinates like Cartesian, axisymmetric spherical, and quasi-spherical grids. Charge conservation is ensured via a specialized current deposition technique using conformal currents. The code exhibits robust scalability and performance portability on major GPU platforms (AMD MI250X, NVIDIA A100, and Intel Max Series), with the 3D particle pusher and the current deposition operating efficiently at about 2 ns per particle per time step. Functionality is validated through a comprehensive suite of standard Cartesian plasma tests and the accurate modeling of relativistic magnetospheres in curvilinear axisymmetric geometries.

Hakobyan, Hayk [Flatiron Institute, New York, NY (↗

Elementary dispersion analysis of some mimetic discretizations on triangular C-grids

Spurious modes supported by triangular C-grids limit their application for modeling large-scale atmospheric and oceanic flows. Their behavior can be modified within a mimetic approach that generalizes the scalar product underlying the triangular C-grid discretization. The mimetic approach provides a discrete continuity equation which operates on an averaged combination of normal edge velocities instead of normal edge velocities proper. An elementary analysis of the wave dispersion of the new discretization for Poincaré, Rossby and Kelvin waves shows that, although spurious Poincaré modes are preserved, their frequency tends to zero in the limit of small wavenumbers, which removes the divergence noise in this limit. However, the frequencies of spurious and physical modes become close on shorter scales indicating that spurious modes can be excited unless high-frequency short-scale motions are effectively filtered in numerical codes. We argue that filtering by viscous dissipation is more efficient in the mimetic approach than in the standard C-grid discretization. Lumping of mass matrices appearing with the velocity time derivative in the mimetic discretization only slightly reduces the accuracy of the wave dispersion and can be used in practice. Thus, the mimetic approach cures some difficulties of the traditional triangular C-grid discretization but may still need appropriately tuned viscosity to filter small scales and high frequencies in solutions of full primitive equations when these are excited by nonlinear dynamics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

ATLAS-MAP: An Automated Test Station for Gated Electronic Transport Measurements

The diversification of electronic materials in devices provides a strong incentive for methods to rapidly correlate device performance with fabrication decisions. In this work, we present a low-cost automated test station for gated electronic transport measurements of field-effect transistors. Utilizing open-source PyMeasure libraries for transparent instrument control, the “ATLAS-MAP” system serves as a customizable interface between sourcemeters and samples under test and is programmed to conduct transfer curve and van der Pauw methods with static and sweeping gate voltages. Zinc oxide transistors of variable thickness (5, 10, and 20 nm) and channel size (50 μm to 3 mm, of equal length and width) were fabricated to validate the design. Standardization of testing procedures and raw data formatting enabled automated data analysis. A detailed list of parts and code files for the system are provided.

36 MATERIALS SCIENCE↗

Correcting for telluric absorption: Methods, case studies, and release of the TelFit code

Ground-based astronomical spectra are contaminated by the Earth's atmosphere to varying degrees in all spectral regions. We present a Python code that can accurately fit a model to the telluric absorption spectrum present in astronomical data, with residuals of ∼3%-5% of the continuum for moderately strong lines. We demonstrate the quality of the correction by fitting the telluric spectrum in a nearly featureless A0V star, HIP 20264, as well as to a series of dwarf M star spectra near the 819 nm sodium doublet. We directly compare the results to an empirical telluric correction of HIP 20264 and find that our model-fitting procedure is at least as good and sometimes more accurate. The telluric correction code, which we make freely available to the astronomical community, can be used as a replacement for telluric standard star observations for many purposes.

79 ASTRONOMY AND ASTROPHYSICS↗

Modeling of advanced accelerator concepts

Computer modeling is essential to research on Advanced Accelerator Concepts (AAC), as well as to their design and operation. This paper summarizes the current status and future needs of AAC systems and reports on several key aspects of (i) high-performance computing (including performance, portability, scalability, advanced algorithms, scalable I/Os and In-Situ analysis), (ii) the benefits of ecosystems with integrated workflows based on standardized input and output and with integrated frameworks developed as a community, and (iii) sustainability and reliability (including code robustness and usability).

47 OTHER INSTRUMENTATION↗

An expectation–maximization framework for comprehensive prediction of isoform-specific functions

Advances in RNA sequencing technologies have achieved an unprecedented accuracy in the quantification of mRNA isoforms, but our knowledge of isoform-specific functions has lagged behind. There is a need to understand the functional consequences of differential splicing, which could be supported by the generation of accurate and comprehensive isoform-specific gene ontology annotations. We present isoform interpretation, a method that uses expectation–maximization to infer isoform-specific functions based on the relationship between sequence and functional isoform similarity. We predicted isoform-specific functional annotations for 85 617 isoforms of 17 900 protein-coding human genes spanning a range of 17 430 distinct gene ontology terms. Comparison with a gold-standard corpus of manually annotated human isoform functions showed that isoform interpretation significantly outperforms state-of-the-art competing methods. We provide experimental evidence that functionally related isoforms predicted by isoform interpretation show a higher degree of domain sharing and expression correlation than functionally related genes. We also show that isoform sequence similarity correlates better with inferred isoform function than with gene-level function.

59 BASIC BIOLOGICAL SCIENCES↗

Fully Bayesian Analysis With Model Inadequacy Correction For Nuclear Graphite Property Models With Hierarchical Variance Structure

Nuclear-grade graphites are extensively utilized in the core designs of various advanced nuclear reactors. Within the reactor environment, graphite is subjected to prolonged exposure to extreme conditions, including high temperatures, radiation, and potentially molten salt and oxygen. Such exposure can induce several degradation mechanisms in graphite, such as nonuniform volumetric strains caused by irradiation and thermal expansion, leading to stresses that may compromise the performance of graphite components. Assessing component integrity, forecasting component performance over the reactor's lifespan, and developing design standards necessitate robust tools for predicting fracture initiation and propagation in graphite structural components within nuclear reactors. This code enables the Bayesian calibration of properties for nuclear-grade graphites. Using a hierarchical Bayesian approach, multiple experimental data sources are combined to develop Gaussian process models for the properties. Using the Kennedy O'Hagan framework, the uncertainties due inadequacies in the model and the inherent spread in the experimental data are quantified.

Dhulipala, Som Lakshmi NarasimhaLakshmi Narasimha ↗

An Analysis of Representative Heating Load Lines for Residential HSPF Ratings

This report describes an analysis to investigate representative heating loads for single-family detached homes using current EnergyPlus simulations (DOE 2014a). Hourly delivered load results are used to determine binned load lines using US Department of Energy (DOE) residential prototype building models (DOE 2014b) developed by Pacific Northwest National Laboratory (PNNL). The selected residential single-family prototype buildings are based on the 2006 International Energy Conservation Code (IECC 2006) in the DOE climate regions. The resulting load lines are compared with the American National Standards Institute (ANSI)/Air-Conditioning, Heating, and Refrigeration Institute (AHRI) Standard 210/240 (AHRI 2008) minimum and maximum design heating requirement (DHR) load lines of the heating seasonal performance factor (HSPF) ratings procedure for each region. The results indicate that a heating load line closer to the maximum DHR load line, and with a lower zero load ambient temperature, is more representative of heating loads predicted for EnergyPlus prototype residential buildings than the minimum DHR load line presently used to determine HSPF ratings. An alternative heating load line equation was developed and compared to binned load lines obtained from the EnergyPlus simulation results. The effect on HSPF of the alternative heating load line was evaluated for single-speed and two-capacity heat pumps, and an average HSPF reduction of 16% was found. The alternative heating load line relationship is tied to the rated cooling capacity of the heat pump based on EnergyPlus autosizing, which is more representative of the house load characteristics than the rated heating capacity. The alternative heating load line equation was found to be independent of climate for the six DOE climate regions investigated, provided an adjustable zero load ambient temperature is used. For Region IV, the default DOE climate region used for HSPF ratings, the higher load line results in an ~28% increase in delivered heating load and an ~52% increase in the estimated heating operating cost over that given in the AHRI directory (AHRI 2014).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Determining Unabated Airborne Radionuclide Emissions Monitoring Requirements Using Inventory-Based Methods

Compliance with the airborne radionuclide emission monitoring requirements in the National Emission Standards for Hazardous Air Pollutants (NESHAP; 40 CFR Part 61, Subpart H) and State requirements in Washington Administrative Code 246–247 and 173-480 were evaluated for Pacific Northwest National Laboratory (PNNL) operations. Additional guidance may be found in the U.S. Department of Energy Handbook, Environmental Radiological Effluent Monitoring and Environmental Surveillance. To meet regulatory requirements, reviews of planned or proposed projects and activities provide the basis for implementing necessary monitoring adjustments or for implementing changes to projects and activities in a timely manner. Potential unabated off-site doses were evaluated for emission locations managed by PNNL and licensed to the Department of Energy. These locations were at facilities in Richland, Washington (i.e., the Hanford Site and PNNL-Richland Campus) and in Sequim, Washington, (PNNL-Sequim Campus, which formerly was known as the Marine Sciences Laboratory). This report describes the inventory-based methods and provides the results for the NESHAP assessment performed in January 2021 for calendar year ending 2020.

40 CFR 61 Subpart H↗