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At least 1,027 records · Page 57

Identification of stimulated Raman side scattering in near-spherical coronal plasmas on OMEGA EP

Recent spherical-target laser–plasma interaction experiments, performed on the OMEGA EP laser, have been analyzed for stimulated Raman scattering (SRS). This has been motivated by results obtained on the National Ignition Facility (NIF) that have demonstrated the importance of SRS, and in particular SRS side scatter, for directly driven inertial confinement fusion (ICF) conditions [Rosenberg et al. Phys. Rev. Lett. 120, 055001 (2018); Michel et al. Phys. Rev. E 99, 033203 (2019)]. The analysis, based on a generalized ray tracing approach, is described and is shown to explain the observed scattered light spectra: it identifies SRS convective scattering, from portions of each incident beam where the scattered electromagnetic wave is generated in the direction parallel to contours of constant density, as the dominant contribution. This result is novel, as SRS is mostly associated with plasmas of higher electron temperature (T e ≳ 3–4 keV) and longer density scale length (≳600 μ m) than those considered here (T e ~ 1–3 keV, Ln~150 μm) for the relevant overlapped irradiation intensities l ≲ 10 15 W/cm 2 . Furthermore, a combination of the high single-beam intensity on OMEGA EP and the side-scattering geometry, that has been identified, is responsible for this result. It is further suggested that the OMEGA EP platform could provide a good surrogate in which to develop SRS mitigation strategies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

MILK : a Python scripting interface to MAUD for automation of Rietveld analysis

Modern diffraction experiments ( e.g. in situ parametric studies) present scientists with many diffraction patterns to analyze. Interactive analyses via graphical user interfaces tend to slow down obtaining quantitative results such as lattice parameters and phase fractions. Furthermore, Rietveld refinement strategies ( i.e. the parameter turn-on-off sequences) tend to be instrument specific or even specific to a given dataset, such that selection of strategies can become a bottleneck for efficient data analysis. Managing multi-histogram datasets such as from multi-bank neutron diffractometers or caked 2D synchrotron data presents additional challenges due to the large number of histogram-specific parameters. To overcome these challenges in the Rietveld software Material Analysis Using Diffraction ( MAUD ), the MAUD Interface Language Kit ( MILK ) is developed along with an updated text batch interface for MAUD . The open-source software MILK is computer-platform independent and is packaged as a Python library that interfaces with MAUD . Using MILK , model selection ( e.g. various texture or peak-broadening models), Rietveld parameter manipulation and distributed parallel batch computing can be performed through a high-level Python interface. A high-level interface enables analysis workflows to be easily programmed, shared and applied to large datasets, and external tools to be integrated with MAUD . Through modification to the MAUD batch interface, plot and data exports have been improved. The resulting hierarchical folders from Rietveld refinements with MILK are compatible with Cinema: Debye–Scherrer , a tool for visualizing and inspecting the results of multi-parameter analyses of large quantities of diffraction data. In this manuscript, the combined Python scripting and visualization capability of MILK is demonstrated with a quantitative texture and phase analysis of data collected at the HIPPO neutron diffractometer.

97 MATHEMATICS AND COMPUTING↗

ERF: Energy Research and Forecasting

The Energy Research and Forecasting (ERF) code is a new model that simulates the mesoscale and microscale dynamics of the atmosphere using the latest high-performance computing architectures. It employs hierarchical parallelism using an MPI+X model, where X may be OpenMP on multicore CPU-only systems, or CUDA, HIP, or SYCL on GPU-accelerated systems. ERF is built on AMReX (Zhang et al., 2019, 2021), a block-structured adaptive mesh refinement (AMR) software framework that provides the underlying performance-portable software infrastructure for block-structured mesh operations. The "energy" aspect of ERF indicates that the software has been developed with renewable energy applications in mind. In addition to being a numerical weather prediction model, ERF is designed to provide a flexible computational framework for the exploration and investigation of different physics parameterizations and numerical strategies, and to characterize the flow field that impacts the ability of wind turbines to extract wind energy. The ERF development is part of a broader effort led by the US Department of Energy's Wind Energy Technologies Office.

17 WIND ENERGY↗

HIPPO – A Software Platform for Electricity Market Research and Development

The goal of this project is to provide Regional transmission organizations (RTOs) and independent system operators (ISOs) a market design and prototyping software, High-Performance Power-Grid Optimization (HIPPO), that they can evaluate electricity market design options, calculate market planning strategies and operational performance. With the high standards and strict reliability requirements for operating power systems, impacts of new technologies need to be fully investigated prior to any consideration for adoption. A market design and prototyping software tool which can be used to prototype electricity market design options, to calculate market planning strategies and operational performance with high precision, and to investigate the impacts for integrating future power grid technologies will be valuable to RTOs/ISOs who operate power systems, to vendors like GE and ABB who provide the market solvers, and to market participants and researchers who are actively doing market research. HIPPO is a such tool that can be used to improve the current market operations and provide capabilities for rigorous forward-looking design and prototyping of next-generation energy markets. HIPPO has a high-resolution model for the day-ahead SCUC, which was validated with MISO and GE-Grid Solutions. HIPPO is built with parallel and distributed computing capabilities and can be executed in both multi-thread and high-performance computing (HPC) settings. This capability provides fast solution speed necessary to handle the larger and more complex SCUC problems of real-world cases and the potentially growing size and complexity of future scenarios. In addition, HIPPO has a concurrent optimizer (CO) which manages multiple algorithm executions simultaneously and leverages the advantages from different algorithms. This structure provides flexibility to better benchmark competing approaches. Highly accurate market model, fast solution technologies and flexible model and algorithm control are the features which will make HIPPO an extensible platform for developing and testing multiple approaches to meet a wide range of future market needs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Impact of High Performance Computing on the Detailed Simulation of Subsurface Flow and Contaminant Transport Using eSTOMP - 16341

The ability to model subsurface processes at the field-scale is essential to site closure and remedial action decisions. Field-scale models often require high-performance computing to meet the computational demands associated with complex systems, model calibration, and uncertainty quantification. eSTOMP, a parallel version of STOMP, is an analytical tool that meets the need for investigating coupled processes in the subsurface involving regional multi-fluid flow and biogeochemistry. The scalability of eSTOMP makes it ideal for simulating contaminant and geochemical reactive transport when long run times result from execution of a serial code. To demonstrate the impact of high-performance computation on subsurface analyses, the application of eSTOMP is presented for two sites. The first site involves uranium surface complexation within a highly dynamic, variably saturated flow field. The use of this model in conjunction with continued field monitoring is expected to provide a rigorous basis for developing operational strategies for field remediation and for defining defensible remediation endpoints. The second site involves the long-term dissolution of low-level radioactive glass emplaced within a near-surface repository. The waste form release rate is evaluated by modeling the basic physical and chemical processes that are known to control the waste form dissolution behavior, including pH and composition of the fluid contacting the glass. Simulations demonstrate that glass dissolution rates vary both in time and as a function of position within the disposal system, and that a 'leach rate' or radionuclide release rate parameter can only be estimated after identifying these impacts in a dynamic system. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Lab-Scale Cable-Driven Parallel Robot Prototype for Automated Prefabricated Component Manipulation

This paper presents the design and evaluation of a lab-scale cable-driven parallel robot (CDPR) developed as a flexible platform for automated installation of prefabricated components onto exterior building envelopes. Traditional manual installation methods for prefabricated components, which depend on scaffolding, cranes, cherry pickers, and verbal coordination, are not only labor-intensive and error-prone but also face significant limitations in dense urban environments due to site access constraints. To address these challenges, we developed a lab-scale CDPR platform capable of autonomously transporting building envelope components from a designated pickup zone to their target installation location, minimizing the need for human intervention. This study describes the system’s mechanical design, actuation architecture, real-time feedback system, and control strategy of the CDPR, and evaluates its performance in a laboratory environment. The robot’s actuation system uses torque control for end-effector manipulation. The robot’s real-time pose feedback comes from a construction-grade total station and a wireless inertial measurement unit (IMU), which together support precise end-effector control. Experimental results demonstrate the successful integration of the hardware, sensing, state estimation, and control subsystems. Preliminary tests showed that our lab-scale prototype can position the end effector with an error of less than 3 mm, which is a level of precision not previously achieved by existing CDPRs in construction applications. The key findings are twofold: (1) torque-only control is necessary but not sufficient for minimizing final pose error, and (2) incorporating real-time pose feedback can achieve the desired placement accuracy.

Liu, Yifang [Oak Ridge National Laboratory (ORNL),↗

Legacy extragalactic UV survey (LEGUS) with the Hubble space telescope. I. Survey description

The Legacy ExtraGalactic UV Survey (LEGUS) is a Cycle 21 Treasury program on the Hubble Space Telescope aimed at the investigation of star formation and its relation with galactic environment in nearby galaxies, from the scales of individual stars to those of ∼kiloparsec-size clustered structures. Five-band imaging from the near-ultraviolet to the I band with the Wide-Field Camera 3 (WFC3), plus parallel optical imaging with the Advanced Camera for Surveys (ACS), is being collected for selected pointings of 50 galaxies within the local 12 Mpc. The filters used for the observations with the WFC3 are F275W(λ2704 Å), F336W(λ3355 Å), F438W(λ4325 Å), F555W(λ5308 Å), and F814W(λ8024 Å); the parallel observations with the ACS use the filters F435W(λ4328 Å), F606W(λ5921 Å), and F814W(λ8057 Å). The multiband images are yielding accurate recent (≲50 Myr) star formation histories from resolved massive stars and the extinction-corrected ages and masses of star clusters and associations. The extensive inventories of massive stars and clustered systems will be used to investigate the spatial and temporal evolution of star formation within galaxies. This will, in turn, inform theories of galaxy evolution and improve the understanding of the physical underpinning of the gas–star formation relation and the nature of star formation at high redshift. This paper describes the survey, its goals and observational strategy, and the initial scientific results. Because LEGUS will provide a reference survey and a foundation for future observations with the James Webb Space Telescope and with ALMA, a large number of data products are planned for delivery to the community.

79 ASTRONOMY AND ASTROPHYSICS↗

Strategies for the GPU Implementation of the OVERFLOW CFD Code

Wondering how to port a large, computational fluid dynamics (CFD) solver, written in Fortran, to run effectively on GPUs? Join this talk to learn about the strategies NASA’s OVERFLOW CFD code has used to effectively utilize GPUs to greatly improve the time to solution compared to CPUs. OVERFLOW is an overset, structured grid, computational fluid dynamics (CFD) flow solver developed by NASA and widely used by government, US industry, and academia. It is known for its effective use of CPU hardware, but this talk will discuss recent efforts to modify the code to run efficiently on GPUs. We will describe our use of OpenACC, CUDA Fortran, and CUDA C++, discussing why and how we use each to map our problem onto NVIDIA GPUs. We will also describe structural changes we made in the code to expose enough parallelism to effectively use the GPU hardware. Finally, we will present the performance benefits from running OVERFLOW on GPUs compared to the well optimized CPU version of the code.

GPU Programming↗

Stability-preserving Lossy Compression for Large-scale Partial Differential Equations

Checkpoint/Restart (C/R) strategies are vital for fault tolerance in PDE-based scientific simulations, yet traditional checkpointing incurs significant I/O overhead. Lossy compression offers a scalable solution by reducing checkpoint data size, but conventional methods often lack control over physical invariants (e.g., energy), leading to instability such as oscillations or divergence in Partial Differential Equations (PDE) systems. This paper introduces a stability-preserving compression approach tailored for PDE simulations by explicitly controlling kinetic and potential energy perturbations to ensure stable restarts. Extensive experiments conducted across diverse PDE configurations demonstrate that our method maintains numerical stability with minimal error magnification—even across multiple checkpoint-restart cycles—outperforming state-of-the-art lossy compressors. Parallel evaluations on the Frontier supercomputer show up to 8.4× improvement in checkpoint write performance and 6.3× in read performance, while maintaining relative L2 errors ∼ 2e-6 throughout continued simulation. These results provide practical guidance for balancing compression accuracy, stability, and computational efficiency in large-scale PDE applications.

Gong, Qian [ORNL] (ORCID:0000000235704142)↗

CLOUDS, AEROSOLS, RADIATION AND THE AIR-SEA INTERFACE OF THE SOUTHERN OCEAN: ESTABLISHING DIRECTIONS FOR FUTURE RESEARCH

A workshop sponsored by the Department of Energy was convened at the University of Washington to discuss the state of knowledge of clouds, aerosols and air-sea interaction over the Southern Ocean and to identify strategies for reducing uncertainties in their representation in global and regional models. The Southern Ocean plays a critical role in the global climate system and is a unique pristine environment, yet other than from satellite, there have been sparse observations of clouds, aerosols, radiation and the air-sea interface in this region. Consequently, much is unknown about atmospheric and oceanographic processes and their linkage in this region. Approximately 60 scientists, including graduate students, postdoctoral fellows and senior researchers working in atmospheric and oceanic sciences at U.S. and foreign universities and government laboratories, attended the Southern Ocean Workshop. It began with a day of scientific talks, partly in plenary and partly in two parallel sessions, discussing the current state of the science for clouds, aerosols and air-sea interaction in the Southern Ocean. After the talks, attendees broke into two working groups; one focused on clouds and meteorology, and one focused on aerosols and their interactions with clouds. This was followed by more plenary discussion to synthesize the two working group discussions and to consider possible plans for organized activities to study clouds, aerosols and the air-sea interface in the Southern Ocean. The agenda and talk slides, including short summaries of the highlights of the parallel session talks developed by the session chars, are available at http://www.atmos.washington.edu/socrates/presentations/SouthernOceanPresentations/.

54 ENVIRONMENTAL SCIENCES↗

IL-39 acts as a friend to pancreatic cancer

Pancreatic cancer is the most lethal digestive cancer and the fourth leading cause of cancer death in the US. IL-39, a heterodimer of p19 and EBI3, is a newly found cytokine and its role in the pathogenesis of neoplasia has not been studied yet. This study was designed to investigate the direct role of IL-39 in the growth of pancreatic cancer. Clonogenic survival assay, cell proliferation, and caspase-3 activity kits were used to evaluate the direct effects of IL-39 on cell survival, proliferation and apoptosis of the widely studied pancreatic cancer cell line MiaPaCa-2. We further investigated the possible molecular mechanisms by using RT-PCR and IHC. The percentage of colonies of pancreatic cancer cells increased significantly in the presence of IL-39. This was paralleled with the increase in the OD value of cancer cells in the presence of IL-39. Interestingly, the relative caspase-3 activity in cancer cells decreased significantly in the presence of IL-39. Furthermore, the pro-tumor effect of IL-39 on pancreatic cancer cells correlated with decreased anti-proliferative molecule p21.The anti-apoptotic effect of IL-39 correlated with decreased pro-apoptotic molecule TRAILR1. These results suggest that IL-39 favors growth of pancreatic cancer by promoting growth and inhibiting apoptosis of cancer cells. This suggests that IL-39 acts as a friend to pancreatic cancer. Thus, inhibition of effect of IL-39 on cells might be a promising strategy to treat pancreatic cancer.

62 RADIOLOGY AND NUCLEAR MEDICINE↗

A phenomenological force model of Li-ion battery packs for enhanced performance and health management

A 1-D phenomenological force model of a Li-ion battery pack is proposed to enhance the control performance of Li-ion battery cells in pack conditions for efficient performance and health management. The force model accounts for multiple swelling sources under the operational environment of electric vehicles to predict swelling-induced forces in pack conditions, i.e. mechanically constrained. The proposed force model not only incorporates structural nonlinearities due to Li-ion intercalation swelling, but also separates the overall range of states of charge into three ranges to account for phase transitions. Additionally an approach to study cell-to-cell variations in pack conditions is proposed with serial and parallel combinations of linear and nonlinear stiffness, which account for battery cells and other components in the battery pack. The model is shown not only to accurately estimate the reaction force caused by swelling as a function of the state of charge, battery temperature and environmental temperature, but also to account for cell-to-cell variations due to temperature variations, SOC differences, and local degradation in a wide range of operational conditions of electric vehicles. Considering that the force model of Li-ion battery packs can account for many possible situations in actual operation, the proposed approach and model offer potential utility for the enhancement of current battery management systems and power management strategies.

25 ENERGY STORAGE↗

Methane Production by Co-Digesting Vinasse and Whey in an AnSBBR: Effect of Mixture Ratio and Feed Strategy

The most common approach to deal with vinasse (sugarcane stillage) is fertigation, but this technique compromises soil structure and surrounding water bodies. A possible solution is to transport vinasse to local cheese whey producers and perform the co-digestion of these wastewaters together, reducing their organic load and generating bioenergy. Therefore, this study investigated the application of an AnSBBR (anaerobic sequencing batch biofilm reactor) operated in batch and fed-batch mode, co-digesting vinasse and whey at 30 °C. The effect of influent composition and feeding strategy was assessed. In all conditions, the system achieved high organic matter removal (approximately 83%). Increasing the percentage of vinasse from 0 to 100% in the influent resulted in a decrease in methane productivity (76.3 to 51.1 molCH{sub 4} m{sup −3} day{sup −1}) and yield (12.7 to 9.1 molCH{sub 4} kgCOD{sup −1}), but fed-batch mode operation improved reactor performance (73.0 molCH{sub 4} m{sup −3} day{sup −1} and 11.5 molCH{sub 4} kgCOD{sup −1}). From the kinetic metabolic model, it was possible to infer that, at the best condition, methane is produced in a similar way from the acetoclastic and hydrogenotrophic routes. A scheme of four parallel reactors with a volume of 16,950 m{sup 3} each was proposed in the scale-up estimation, with an energy recovery estimated in 28,745 MWh per month.

60 APPLIED LIFE SCIENCES↗

TU-H-BRA-04: A Novel Superconducting Magnet Design for Optimized Patient Access and Minimal SSD for Use in a Linac-MR Hybrid

Purpose: A prototype rotating hybrid MR imaging system and linac has been developed to allow for simultaneous imaging and radiation delivery parallel to B{sub 0}. However, the design of a compact magnet capable of rotation in a small vault with sufficient patient access and a typical clinical source-to-surface distance (SSD) is challenging. This work presents a novel superconducting magnet design that allows for a reduced SSD and ample patient access by moving the superconducting coils to the side of the yoke. The yoke and pole-plate structures are shaped to direct the magnetic flux appropriately. Methods: The surface of the pole plate for the magnet assembly is optimized. The magnetic field calculations required in this work are performed with the 3D finite element method software package Opera-3D. Each tentative design strategy is virtually modeled in this software package and externally controlled by MATLAB, with its key geometries defined as variables. The particle swarm optimization algorithm is used to optimize the variables subject to the minimization of a cost function. At each iteration, Opera-3D will solve the magnetic field solution over a field-of-view suitable for MR imaging and the degree of field uniformity will be assessed to calculate the value of the cost function associated with that iteration. Results: An optimized magnet assembly that generates a homogenous 0.2T magnetic field over an ellipsoid with large axis of 30 cm and small axes of 20 cm is obtained. Conclusion: The distinct features of this model are the minimal distance between the yoke’s top and the isocentre and the improved patient access. On the other hand, having homogeneity over an ellipsoid give us a larger field-of-view, essential for geometric accuracy of the MRI system. The increase of B{sub 0} from 0.2T in the present model to 0.5T is the subject of future work. Funding Sources: Alberta Innovates - Health Solutions (AIHS)| Disclosure and Conflict of Interest: B. Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta biplanar linac MR for commercialization).

60 APPLIED LIFE SCIENCES↗

Proactive Operations and Investment Planning via Stochastic Optimization to Enhance Power Systems’ Extreme Weather Resilience

We present scalable stochastic optimization approaches for improving power systems’ resilience to extreme weather events. We consider both proactive redispatch and transmission line hardening as alternatives for mitigating expected load shed due to extreme weather, resulting in large-scale stochastic linear programs (LPs) and mixed-integer linear programs (MILPs). We solve these stochastic optimization problems with progressive hedging (PH), a parallel, scenario-based decomposition algorithm. Our computational experiments indicate that our proposed method for enhancing power system resilience can provide high-quality solutions efficiently. With up to 128 scenarios on a 2,000-bus network, the operations (redispatch) and investment (hardening) resilience problems can be solved in approximately 6 min and 2 h of wall-clock time, respectively. Additionally, we solve the investment problems with up to 512 scenarios, demonstrating that the approach scales very well with the number of scenarios. Moreover, the method produces high quality solutions that result in statistically significant reductions in expected load shed. Our proposed approach can be augmented to incorporate a variety of other operational and investment resilience strategies, or a combination of such strategies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

A nonlinear data-driven reduced order model for computational homogenization with physics/pattern-guided sampling

Developing an accurate nonlinear reduced order model from simulation data has been an outstanding research topic for many years. For many physical systems, data collection is very expensive and the optimal data distribution is not known in advance. Thus, maximizing the information gain remains a grand challenge. In a recent paper, Bhattacharjee and Matouš (2016) proposed a manifold-based nonlinear reduced order model for multiscale problems in mechanics of materials. Expanding this work here, we develop a novel sampling strategy based on the physics/pattern-guided data distribution. Our adaptive sampling strategy relies on enrichment of sub-manifolds based on the principal stretches and rotational sensitivity analysis. This novel sampling strategy substantially decreases the number of snapshots needed for accurate reduced order model construction (i.e., ~5 x reduction of snapshots over Bhattacharjee and Matouš (2016)). Moreover, we build the nonlinear manifold using the displacement rather than deformation gradient data. We provide rigorous verification and error assessment. We demonstrate both localization and homogenization of the multiscale solution on a large particulate composite unit cell.

97 MATHEMATICS AND COMPUTING↗

Novel bis-(−)-nor-meptazinol derivatives act as dual binding site AChE inhibitors with metal-complexing property

The strategy of dual binding site acetylcholinesterase (AChE) inhibition along with metal chelation may represent a promising direction for multi-targeted interventions in the pathophysiological processes of Alzheimer's disease (AD). In the present study, two derivatives (ZLA and ZLB) of a potent dual binding site AChE inhibitor bis-(−)-nor-meptazinol (bis-MEP) were designed and synthesized by introducing metal chelating pharmacophores into the middle chain of bis-MEP. They could inhibit human AChE activity with IC{sub 50} values of 9.63 μM (for ZLA) and 8.64 μM (for ZLB), and prevent AChE-induced amyloid-β (Aβ) aggregation with IC{sub 50} values of 49.1 μM (for ZLA) and 55.3 μM (for ZLB). In parallel, molecular docking analysis showed that they are capable of interacting with both the catalytic and peripheral anionic sites of AChE. Furthermore, they exhibited abilities to complex metal ions such as Cu(II) and Zn(II), and inhibit Aβ aggregation triggered by these metals. Collectively, these results suggest that ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency, and may be potential leads of value for further study on disease-modifying treatment of AD. -- Highlights: ► Two novel bis-(−)-nor-meptazinol derivatives are designed and synthesized. ► ZLA and ZLB may act as dual binding site AChEIs with metal-chelating potency. ► They are potential leads for disease-modifying treatment of Alzheimer's disease.

60 APPLIED LIFE SCIENCES↗

Restoration Strategy for Active Distribution Systems Considering Endogenous Uncertainty in Cold Load Pickup

Cold load pickup (CLPU) phenomenon is identified as the persistent power inrush upon a sudden load pickup after an outage. Under the active distribution system (ADS) paradigm, where distributed energy resources (DERs) are extensively installed, the decreased outage duration can induce a strong interdependence between CLPU pattern and load pickup decisions. In this paper, we propose a novel modelling technique to tractably capture the decision-dependent uncertainty (DDU) inherent in the CLPU process. Subsequently, a two-stage stochastic decision-dependent service restoration (SDDSR) model is constructed, where first stage searches for the optimal switching sequences to decide step-wise network topology, and the second stage optimizes the detailed generation schedule of DERs as well as the energization of switchable loads. Further, to tackle the computational burdens introduced by mixed-integer recourse, the progressive hedging algorithm (PHA) is utilized to decompose the original model into scenario-wise subproblems that can be solved in parallel. The numerical test on modified IEEE 123-node test feeders has verified the efficiency of our proposed SDDSR model and provided fresh insights into the monetary and secure values of DDU quantification.

24 POWER TRANSMISSION AND DISTRIBUTION↗