Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “code optimization”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 415 records · Page 23

Laser-heated capillary discharge waveguides as tunable structures for laser-plasma acceleration

Laser-heated capillary discharge waveguides are novel, low plasma density guiding structures able to guide intense laser pulses over many diffraction lengths and have recently enabled the acceleration of electrons to 7.8 GeV by using a laser-plasma accelerator (LPA). These devices represent an improvement over conventional capillary discharge waveguides, as the channel matched spot size and plasma density can be tuned independently of the capillary radius. This has allowed the guiding of petawatt-scale pulses focused to small spot sizes within large diameter capillaries, preventing laser damage of the capillary structure. High performance channel-guided LPAs require control of matched spot size and density, which experiments and simulations reported here show can be tuned over a wide range via initial discharge and laser parameters. In this paper, measurements of the matched spot size and plasma density in laser-heated capillary discharges are presented, which are found to be in excellent agreement with simulations performed using the MHD code MARPLE. Strategies for optimizing accelerator performance are identified based on these results.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Integral Nuclear Data and Benchmarking Needs for Fusion Energy Systems

Fusion energy systems are currently being designed and optimized using radiation transport codes. To deal with the unique environment inside a fusion-based system, many of these designs incorporate novel materials able to withstand the high radiation fields, ensure adequate cooling and thermal protection, and produce tritium. Validation plays a vital role in building trust in the predictive power of these models and computational methods. Validation of a code consists of modeling documented real-world experiments and comparing the code-predicted response to the measured response. Adequate validation requires measured responses from real-world experiments, also known as integral data, that mimic the system being designed, including materials, impinging radiation, and temperature, among other variables. The most trusted integral data are experimental responses that have been through a rigorous benchmarking process that develops a recommended computational model and evaluates all experimental uncertainties. Finally, there are a few research groups around the world that have been producing integral data for fusion applications, but a substantial investment is needed to address the unique validation needs of the fusion community.

Fusion↗

HELIOS-K: An ultrafast, open-source opacity calculator for radiative transfer

We present an ultrafast opacity calculator that we name HELIOS-K. It takes a line list as an input, computes the shape of each spectral line, and provides an option for grouping an enormous number of lines into a manageable number of bins. We implement a combination of Algorithm 916 and Gauss–Hermite quadrature to compute the Voigt profile, write the code in CUDA, and optimize the computation for graphics processing units (GPUs). We restate the theory of the k-distribution method and use it to reduce ∼10{sup 5}–10{sup 8} lines to ∼10–10{sup 4} wavenumber bins, which may then be used for radiative transfer, atmospheric retrieval and general circulation models. The choice of line-wing cutoff for the Voigt profile is a significant source of error and affects the value of the computed flux by ∼10%. This is an outstanding physical (rather than computational) problem, due to our incomplete knowledge of pressure broadening of spectral lines in the far line wings. We emphasize that this problem remains regardless of whether one performs line-by-line calculations or uses the k-distribution method and affects all calculations of exoplanetary atmospheres requiring the use of wavelength-dependent opacities. We elucidate the correlated-k approximation and demonstrate that it applies equally to inhomogeneous atmospheres with a single atomic/molecular species or homogeneous atmospheres with multiple species. Using a NVIDIA K20 GPU, HELIOS-K is capable of computing an opacity function with ∼10{sup 5} spectral lines in ∼1 s and is publicly available as part of the Exoclimes Simulation Platform (www.exoclime.org).

79 ASTRONOMY AND ASTROPHYSICS↗

Intrinsic plasma rotation and Reynolds stress at the plasma edge in the HSX stellarator

Using multi-tipped Langmuir probes in the edge of the HSX stellarator, the radial electric field and parallel flows are found to deviate from the values calculated by the neoclassical transport code PENTA for the optimized quasi-helically symmetric (QHS) configuration. To understand whether Reynolds stress might explain the discrepancy, fluctuating floating potential measurements are made at two locations in the torus corresponding to the low field and high field sides of the device. The measurements at the two locations show clear evidence of a gradient in the Reynolds stress. However, the resulting flow due to the gradient in the stress is found to be large and in opposite directions for the two locations. This makes an estimation of the flux surface average using a small number of measurement locations impractical from an experimental perspective. These results neither confirm nor rule out whether Reynolds stress plays an important role for the QHS configuration. Measurements made in configurations with the quasi-symmetry degraded show even larger flows and greater deviations from the neoclassically calculated velocity profiles than the QHS configuration while the fluctuation magnitudes are reduced. Lastly, for these configurations in particular, the Reynolds stress is most likely not responsible for the additional momentum.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Characterization and Optimization of the Fitting of Quantum Correlation Functions

This case study presents a characterization and optimization of an application code for extracting parton distribution functions from high energy electron-proton scattering data. Profiling this application code reveals that the phase-space density computation accounts for 93% of the overall execution time for a single iteration on a single core. When executing multiple iterations in parallel on a multicore system, the application spends 78% of its overall execution time idling due to load imbalance. We address these issues by first transforming the application code from Python to C++ and then tackling the application load imbalance via a hybrid scheduling strategy that combines dynamic and static scheduling. These techniques result in a 62% reduction in CPU idle time and a 2.46x speedup in overall execution time per node. In addition, the typically enabled power-management mechanisms in supercomputers (e.g., AMD Turbo Core, Intel Turbo Boost, and RAPL) can significantly impact intra-node scalability when more than 50% of the CPU cores are used. This finding underscores the importance of understanding system interactions with power management, as they can adversely impact application performance, and highlights the necessity of intra-node scaling tests to identify performance degradation that inter-node scaling tests might otherwise overlook.

Chuang, Pi-Yueh [Virginia Tech,Dept. of Computer S↗

Design and characterization of a new high-dose-rate brachytherapy Valencia applicator for larger skin lesions

Purpose: The aims of this study were (i) to design a new high-dose-rate (HDR) brachytherapy applicator for treating surface lesions with planning target volumes larger than 3 cm in diameter and up to 5 cm in size, using the microSelectron-HDR or Flexitron afterloader (Elekta Brachytherapy) with a {sup 192}Ir source; (ii) to calculate by means of the Monte Carlo (MC) method the dose distribution for the new applicator when it is placed against a water phantom; and (iii) to validate experimentally the dose distributions in water. Methods: The PENELOPE2008 MC code was used to optimize dwell positions and dwell times. Next, the dose distribution in a water phantom and the leakage dose distribution around the applicator were calculated. Finally, MC data were validated experimentally for a {sup 192}Ir mHDR-v2 source by measuring (i) dose distributions with radiochromic EBT3 films (ISP); (ii) percentage depth–dose (PDD) curve with the parallel-plate ionization chamber Advanced Markus (PTW); and (iii) absolute dose rate with EBT3 films and the PinPoint T31016 (PTW) ionization chamber. Results: The new applicator is made of tungsten alloy (Densimet) and consists of a set of interchangeable collimators. Three catheters are used to allocate the source at prefixed dwell positions with preset weights to produce a homogenous dose distribution at the typical prescription depth of 3 mm in water. The same plan is used for all available collimators. PDD, absolute dose rate per unit of air kerma strength, and off-axis profiles in a cylindrical water phantom are reported. These data can be used for treatment planning. Leakage around the applicator was also scored. The dose distributions, PDD, and absolute dose rate calculated agree within experimental uncertainties with the doses measured: differences of MC data with chamber measurements are up to 0.8% and with radiochromic films are up to 3.5%. Conclusions: The new applicator and the dosimetric data provided here will be a valuable tool in clinical practice, making treatment of large skin lesions simpler, faster, and safer. Also the dose to surrounding healthy tissues is minimal.

60 APPLIED LIFE SCIENCES↗

STELLOPT

The STELLOPT code is designed to optimize 3D MHD equilibria to a set of target physics parameters encompassing stellarator design and 3D equilibrium reconstructions.

Lazerson, Samuel↗

OptimiSM v.0.0.1

SAND2021-15062 O OptimiSM is a library for solving solid mechanics problems and for rapid prototyping of computational solid mechanics research ideas. It was originally created to facilitate research and development of algorithms for contact mechanics. It is a realization of a philosophy that problems can be represented with variational least-action principles, even when there is history-dependent material behavior and contact. This opens the door to using powerful methods from non-convex optimization for solutions. The code was successful in its original purpose, but along the way, the authors realized that it could be of general use to the computational solid mechanics research community as an R&D platform. 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-NA0003525.

Talamini, Brandon↗

QEC-fidelity

Code for paper "Universal Optimization and Tighter Fidelity Bounds for Approximate Quantum Error Correction" https://doi.org/10.48550/arXiv.2607.24968

Wu, Jing [Fermi National Accelerator Laboratory (F↗

TwoFold: Highly accurate structure and affinity prediction for protein-ligand complexes from sequences

We describe our development of ab initio protein-ligand binding pose prediction models based on transformers and binding affinity prediction models based on the neural tangent kernel (NTK). Folding both protein and ligand, the TwoFold models achieve efficient and quality predictions matching state-of-the-art implementations while additionally reconstructing protein structures. In conclusion, solving NTK models points to a new use case for highly optimized linear solver benchmarking codes on HPC.

60 APPLIED LIFE SCIENCES↗

Constraining the nuclear gluon PDF with inclusive hadron production data

The nuclear parton distribution functions (nPDFs) of gluons are known to be difficult to determine with fits of deep inelastic scattering (DIS) and Drell-Yan (DY) data alone. Therefore, the nCTEQ15 analysis of nuclear PDFs added inclusive neutral pion production data from RHIC to help in constraining the gluon. In this analysis, we present a new global analysis of nuclear PDFs based on a much larger set of single inclusive light hadron data from RHIC and the LHC. Using our new nCTEQ code (nCTEQ++) with an optimized version of INCNLO we study systematically the limitations of the theory and the impact of the fragmentation function uncertainty.

Duwentäster, Pit↗

Validation of the BERT Point Source Inversion Scheme Using the Joint Urban 2003 Tracer Experiment Dataset (Final Report)

A terrorist attack in a U.S. city utilizing biological weapons could have severe consequences. A biological agent could be aerosolized and emitted into the air in the middle of a city, invisibly traveling with the winds, and dosing an unknowing populace. The magnitude of the problem would only be revealed as sick people started arriving several days later at hospitals with symptoms, many already too ill to be saved. A national program has deployed a network of biological agent collectors in U.S. cities to provide early detection of a bio-weapon attack, thereby hastening medical intervention and potentially saving many thousands of lives. In fact, the most effective treatment takes place prior to infection or in its early stages and early warning might reduce the disease progression and, consequently, the possibility of an outbreak. If a biological attack were to occur in a city, one or more collectors may register hits with specific dosages and the city would be alerted that an attack had taken place. This piece of information alone, however, would not be enough to determine how serious the attack was, i.e., how much biological agent was released into the air and where the bio-plume traveled. The first responders and public health communities will want to know what regions were impacted, how many persons might get sick, which people most need medical supplies, and where to clean up. The law enforcement community will want to look for forensic evidence at the release location. The Bio-Agent Event Reconstruction Tool (BERT) has been developed in order to recreate what might have happened during an airborne biological agent attack based on biological agent collector measurements and wind collectors mounted around a city. The tool can be used to estimate possible release areas while eliminating other areas, and can estimate bounds on the amount of material released. The tool can then be used to project forward from the possible source areas to estimate potential hazard zones. Due to a unique source inversion technique - called the upwind collector footprint approach - the tool runs fast and the source regions can be determined in a few minutes. In this report, we provide an overview of the BERT framework, followed by a description of the source inversion technique. The Joint URBAN 2003 field experiment held in Oklahoma City that was used to validate BERT is then described. Subsequent sections describe the metrics used for evaluation, the comparison of the experimental data and BERT output, and under what conditions the BERT tool succeeds and performs poorly. Results are aggregated in different ways (e.g., daytime vs. nighttime releases, 1 vs. 2 vs. 3 hit collectors) to determine if BERT shows any systematic errors. Finally, recommendations are given for how to improve the code and procedures for optimizing performance in operational mode.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Predicting Weak Lensing Statistics from Halo Mass Reconstructions (Final Paper)

As dark matter does not absorb or emit light, its distribution in the universe must be inferred through indirect effects such as the gravitational lensing of distant galaxies. While most sources are only weakly lensed, the systematic alignment of background galaxies around a foreground lens can constrain the mass of the lens which is largely in the form of dark matter. In this paper, I have implemented a framework to reconstruct all of the mass along lines of sight using a best-case dark matter halo model in which the halo mass is known. This framework is then used to make predictions of the weak lensing of 3,240 generated source galaxies through a 324 arcmin 2 field of the Millennium Simulation. The lensed source ellipticities are characterized by the ellipticity-ellipticity and galaxy-mass correlation functions and compared to the same statistic for the intrinsic and ray-traced ellipticities. In the ellipticity-ellipticity correlation function, I and that the framework systematically under predicts the shear power by an average factor of 2.2 and fails to capture correlation from dark matter structure at scales larger than 1 arcminute. The model predicted galaxy-mass correlation function is in agreement with the ray-traced statistic from scales 0.2 to 0.7 arcminutes, but systematically underpredicts shear power at scales larger than 0.7 arcminutes by an average factor of 1.2. Optimization of the framework code has reduced the mean CPU time per lensing prediction by 70% to 24 ± 5 ms. Physical and computational shortcomings of the framework are discussed, as well as potential improvements for upcoming work.

79 ASTRONOMY AND ASTROPHYSICS↗

Community Project for Accelerator Science and Simulation (ComPASS)

After concluding our initial exercise (solving a simplified statistical inverse problem with unknown parameter laser intensity) of coupling Vorpal and our parallel statistical library QUESO, we shifted the application focus to DLA. Our efforts focused on developing a Gaussian process (GP) emulator within QUESO for efficient optimization of power couplers within woodpiles. The smaller simulation size (compared with LPA) allows for sufficient “training runs” to develop a reasonable GP statistical emulator for a parameter space of moderate dimension.

43 PARTICLE ACCELERATORS↗

PORFLOW Simulations Supporting Saltstone Disposal Unit Design Optimization

SRNL was requested by SRR to perform PORFLOW simulations to support potential cost-saving design modifications to future Saltstone Disposal Units in Z-Area (SRR-CWDA-2015-00120). The design sensitivity cases are defined in a modeling input specification document SRR-CWDA-2015-00133 Rev. 1. A high-level description of PORFLOW modeling and interpretation of results are provided in SRR-CWDA-2015-00169. The present report focuses on underlying technical issues and details of PORFLOW modeling not addressed by the input specification and results interpretation documents. Design checking of PORFLOW modeling is documented in SRNL-L3200-2015-00146.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Tardigrade (NA-22 Quarterly Report)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 24 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗

Tardigrade (Quarterly Report Q1 FY2022)

Tardigrade is an effort to create tunable thermal expansion materials for use in a ruggedized lens housing. This requires new computational algorithms to model and predict thermal performance of meta-materials composed of multiple structured base materials and void-space, along with matching and developing 3D print technology to demonstrate the housing. The project is 27 months into the 36-month plan. We are continuing effort on 3 main technical thrusts: material design algorithm development (transitioning into full 3D design), multi-material additive manufacturing process exploration, and sensor/optics design and engineering. In the last quarter, we have focused on developing the code for 3D Topology Optimization, building data sets for 2D autoencoder training, and finishing lens housing engineering for the microbolometer based test sensor. We are exploring 2 potential multi-material AM technologies, a polymer-based technique in development at LLNL and a metal SLS system produced by Aconity, called the AeroSint deposition head.

36 MATERIALS SCIENCE↗

FEM Analysis of Hybrid LTS/HTS Cos-Theta Dipole Magnet

After the recent results on Bi-2212 superconductive magnets realized and tested in canted cosine-theta and solenoid designs, respectively, at Lawrence Berkeley National Laboratory (LBNL) and NHMFL, the first Bi-2212 stress-managed cosine-theta insert magnet is in the assembly phase at Fermilab. This insert will be part of the first hybrid cosine-theta magnet made of Nb3Sn outer layers within the US-MDP effort to reach 20 T bore field. This paper reports the analytical analysis of the cosine-theta Nb3Sn/Bi-2212 hybrid magnet. As an introduction, it shows the validation of the finalized HTS coils' design optimized using the ROXIE code. Subsequently, it reports the parameters, logic, and implementation method of the 2D electromagnetic and mechanical FEM analysis of the LTS/HTS hybrid magnet. Results from the ANSYS detailed model made with sub-modeling geometry are compared with the homogeneous model implemented in the past. Moreover, a Python code was implemented to simulate the current degradation due to stresses in the detail-modeled conductor areas. The current degradation is introduced in the simulation dynamics for both conductors as an iteration process during the energization load step only after applying pre-stress and thermal loads. The numerical and graphic results of the 2D cosine-theta LTS/HTS magnet cross-section will be described and analyzed.

D'Agliano, A.↗