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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.

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At least 505 records · Page 28

Data-Driven Exploration of Climate Attractor Manifolds For Long-Term Predictability

Focal Area: This white paper responds to Focal Area 3. We seek to gain insight into decadal-scale climate predictability by applying novel manifold-finding probabilistic AI techniques to the complex data produced by Earth System models (ESMs) such as E3SM. The associated portfolio of research activities leverages DOE’s asset mix of HPC platforms, climate expertise, climate simulation codes, and AI expertise. Science Challenge: Climate and climate models are dynamical systems exhibiting properties that are interpretable through chaos theory. The theory contains an important concept that is relevant to multi-decade-scale climate prediction: a chaotic attractor. While the space containing all the possible states of the Earth’s atmosphere and ocean, the possible weather, is large, the realized states tend to stay near the smaller-dimensioned attractor. This behavior is responsible for the “order behind the irregularity” [1] of climate phenomena. Climate change can be thought of as a change in the properties of the attractor, and predicting the climate over years to decades is equivalent to predicting how those properties will change. To date, the attractor has been a useful conceptual tool, but has not been amenable to direct characterization. A new development is the advent of efficient high-dimensional manifold-finding probabilistic AI techniques, which permit a data-driven characterization of the ESM attractor and its probability distribution over weather states. Such a characterization would result in a natural dimensional reduction — a “non-linear Principal Components Analysis (PCA) adapted to climate simulation data” — leading to important advances in scenario-based long-term climate prediction, long-term prediction of water cycle extremes, ESM verification, inter-model comparison, and process model development.

54 ENVIRONMENTAL SCIENCES↗

Model Validation and Uncertainty Quantification on the KRUSTY Microreactor Design Using GRIFFIN Neutron Transport Code [Poster]

Argonne National Laboratory (ANL) and INL have developed a GRIFFIN steady state neutronics model for the multiphysics simulations of the Kilopower Reactor Using Sterling TechnologY (KRUSTY) microreactor in the Multiphysics Object Oriented Simulation Environment (MOOSE). The reliability of such deterministic neutronics models can be validated by comparing with computations from Monte Carlo codes (e.g. MCNP, SERPENT, OpenMC, Shift, etc). Furthermore, potential modeling/design improvements can be identified by incorporating uncertainty quantification (UQ), which can be performed by MOOSE’s Stochastic Tools Module (STM). KRUSTY is a prototype for a 5-kW thermal nuclear-powered space reactor. Its primary components consist of nuclear fuel, heat pipes, a control rod, a reflector, and the shielding. The fuel consists of 3 stacked U-7.65Mo cylinders with a hole in the center for the control rod. 8 liquid sodium heat pipes transfer fission energy from the solid fuel block to the Sterling power conversion system where the energy is extracted, and the cooled sodium flows back to the core via capillary action . The movable Boron Carbide control rod regulates the neutron population during startup or when a reactor temperature boost is needed . The beryllium oxide reflector is in 3 places in the reactor; it surrounds the core axially, it lies beneath the core on a platen, and it is present in the shim. The axial and lower reflectors rest on an adjustable stainless-steel platen that moves upward to cover the fuel and help the reactor reach criticality. Lastly, radial stainless steel surrounds the core offering protection from radiation exposure .

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

LHC Event Generation in the Exascale Era

MCFM is a dedicated Monte-Carlo simulation program for collider phenomenology at highest energies. Designed during the Tevatron era, it has successfully incorporated the latest developments needed for LHC precision calculations and remained on the forefront of collider phenomenology. The Fortran code includes interfaces to modern PDF and loop reduction libraries but has been unchanged structurally compared to the earlier versions. Parallel computing has been enabled using OpenMP and MPI. MCFM provides numerically highly stable one-loop amplitudes and superior phase-space efficiency, leading to excellent performance in NXLO calculations using jettiness or qT subtraction techniques for IR regularization.

Campbell, John [Fermilab]↗

FolpsD: combining EFT and phenomenological approaches for joint power spectrum and bispectrum analyses

We present a theoretical model for the power spectrum and bispectrum of galaxy clustering that exploits the complementarity between small-scale power spectrum information and large-scale bispectrum measurements. We extend the FOLPS code by combining its one-loop EFT galaxy power spectrum with a tree-level galaxy bispectrum projected onto the tripolar spherical harmonics (Sugiyama) basis. To access additional small-scale information, we also consider a line-of-sight damping factor in both statistics, mirroring approaches commonly used in studies of redshift-space distortions. We test the model using DESI DR2 galaxy mocks. Even without damping, the joint analysis of the EFT power spectrum and bispectrum significantly improves constraints and reduces parameter degeneracies relative to power spectrum analyses alone. For LRG-like samples, including the damping further extends the range beyond $k\sim 0.3 \,h \text{Mpc}^{-1}$ in the power spectrum and $k \sim 0.24 \,h \text{Mpc}^{-1}$ in the bispectrum without introducing statistically significant parameter biases. This leads to up to $\sim 30\%$ tighter constraints on $A_s$ and $ω_{cdm}$. For low signal-to-noise tracers such as QSOs, however, the damping parameters are weakly constrained and can absorb noise fluctuations, leading to shifts in inferred parameters. Similar limitations may arise in models where cosmological information is encoded in power-spectrum shape features degenerate with the damping, such as scenarios with massive neutrinos. In contrast, for $w_0w_a$CDM we obtain $15\%$ and $21\%$ tighter constraints on $w_0$ and $w_a$, respectively, yielding a deviation from constant dark energy at slightly more than the $1σ$ level using full-shape information alone. The code is publicly available at https://github.com/cosmodesi/FolpsD

Bansal, P. [Michigan U., MCTP; Michigan U.] (ORCID↗

Adaptive Generation of Training Data for ML Reduced Model Creation

Machine learning proxy models are often used to speed up or completely replace complex computational models. The greatly reduced and deterministic computational costs enable new use cases such as digital twin control systems and global optimization. The challenge of building these proxy models is generating the training data. A naive uniform sampling of the input space can result in a non-uniform sampling of the output space of a model. This can cause gaps in the training data coverage that can miss finer scale details resulting in poor accuracy. While larger and larger data sets could eventually fill in these gaps, the computational burden of full-scale simulation codes can make this prohibitive. In this paper, we present an adaptive data generation method that utilizes uncertainty estimation to identify regions where training data should be augmented. By targeting data generation to areas of need, representative data sets can be generated efficiently. The effectiveness of this method will be demonstrated on a simple one-dimensional function and a complex multidimensional physics model.

Cianciosa, Mark↗

Beam Dynamics of the Muon $g\textrm{-}2$ Experiment

The Muon $g\textrm{-}2$ Experiment (E989) at Fermilab aims to measure the muon anomalous magnetic moment $a_{\mu}$ with unprecedented precision, potentially uncovering physics beyond the Standard Model of particle physics. The result based on Runs 1-3, released in 2023, achieved a precision of 0.20 ppm. The experiment circulates muons in a storage ring, measuring $a_{\mu}$ from decay positron time and energy measurements collected with calorimeters. To achieve the required accuracy, it is crucial to measure and control the magnetic field in the ring with high precision. Beam dynamics corrections are necessary for muons not orbiting exactly in the midplane, for their oscillations, and for electric field effects. Highly accurate beam dynamics simulations are instrumental for quantifying and validating the beam dynamics corrections, ultimately improving the precision of the $a_{\mu}$ measurement and facilitating the achievement of the ambitious $70\:\mathrm{ppb}$ systematic uncertainty goal. The measured field data was incorporated into models for simulations using three codes: \texttt{gm2ringsim} (an internal Geant4-based code), \textit{COSY INFINITY}, and \textit{BMAD}. The advantages of \texttt{gm2ringsim} include using CAD-based geometry and modelling the detector effects. \textit{COSY INFINITY} is a highly accurate and efficient code that uses high-order differential-algebraic transfer maps, precise fringe field calculations, and advanced symplectification methods. Symplectification is important for maintaining the physical correctness of the muon beam behaviour with high precision over the storage time, ensuring conservation of phase space volume and preventing artificial damping or excitation of particle motion. The experiment completed its final Run 6 in July 2023, collecting 21 times more data than the previous BNL experiment. Analyses of data from Runs 4-6 are ongoing, with results planned for release in 2025, potentially resolving the current tension between experiment and theory.

43 PARTICLE ACCELERATORS↗

Simulation and Analysis on Reactor Pressure Vessel (RPV) subjected to Pressurized Thermal Shock (PTS) under SBLOCA scenario by using Cardinal to support the fracture mechanics analyses

The structural components that comprise nuclear reactors and their supporting structures are subjected to harsh operating environments that can challenge their integrity, especially after exposure for extended durations or under accident condition. As one of the most significant components of a Reactor, the Reactor Pressure Vessel (RPV) is exposed to an aggressive environment during the operation time (e.g. more than 40 years). Ageing degradation mechanisms (e.g. thermos-fatigue) could grow initial defects up to a critical size, increasing the susceptibility to failure in the RPV. The conventional methods are mostly based on simple crack and structure geometries. Very limited studies consider the real conditions of the RPV subjected to a thermal shock due to a Loss of Coolant Accident (LOCA). During a LOCA event, the most severe conditions take place when the emergency core cooling (ECC) water is injected inside the cold legs filled initially with hotter water and/or steam. The rapid cooling of the down-comer and the internal RPV surface followed probably by re-pressurization of the RPV causes large temperature gradients and variation of pressure which induces thermal-mechanical stresses. In order to develop the model for integrity assessment of a reactor pressure vessel (RPV) subjected to pressurized thermal shock (PTS), a multi-physics simulation, which includes the thermo-hydraulic, thermo-mechanical and fracture mechanics analyses is necessary. The multi-physics simulations are performed using Cardinal, a wrapping of the GPU-oriented spectral element Computational Fluid Dynamics (CFD) code NekRS and other multi-physics sub-modules within the MOOSE framework. Cardinal now fully supports MOOSE stochastic perturbations of NekRS models with varying boundary conditions, initial conditions, material properties, and any other quantity which is defined by a kernel (such as coefficients in a momentum source model). The implementation is designed in a flexible manner so that scalar values are sent from MOOSE into a user scratch space in NekRS, which can then be applied for any purpose within the NekRS case files (both on the host and device). When modeling PTS, several factors can impact the results significantly. In this report, the impacts of the geometry of the model, Reynolds number and buoyancy effect are investigated. Two geometry, i.e., a simplified model and a realistic RPV model, with both laminar and turbulent flow condition are adopted for the PTS simulation with and without buoyancy effect. The purpose of the investigation is to understand the impact of these factors on the prediction of temperature history of RPV. The accurate prediction on the temperature evolution, which will be exported to Grizzly code for further analyses on the progression of aging mechanisms and their effects on the integrity of RPV structures, is very crucial. Based on the understanding of these factors, a more sophisticated model is built to analysis the PTS under SBLOCA scenario. A literature survey is conducted to pick the SBLOCA scenario for the multi-physics simulation. The analysis helps to explain the form and the transformation of the cold plum when the ECC is activated under SBLOCA. This model can be can be applied to study the PTS effect for different RPV configurations. The results can help to assess structural component degradation for advanced reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

HPC4Mfg with Carbon Inc.

Continuous Liquid Interface Production (CLIP) is poised to bring additive manufacturing to multiple American manufacturing sectors owing to its unique combination of rapid print speeds and material options that resemble injection molding thermoplastics. In spite of these benefits, CLIP is still a maturing process. To improve our understanding and control of the process, this project developed a multi-physics computational model that encompasses the coupled chemical-physical processes of photopolymerization and fluid flow to predict part outcomes. A physically predictive model can enable rapid optimization of CLIP and reduce the current cycle time and waste associated with optimization by four-fold. Ultimately, this effort will help open the U.S. $400B plastic manufacturing industry to the key benefits of additive manufacturing, namely mass customization, unlimited design space, and a cost- and energy-effective path to mainstream manufacturing. In the course of the project we produced a model which coupled fluid-flow, species transport, and photochemistry to model the Carbon CLIP process. As the development proceeded, we validated the code against theory and experiments. The resulting code was transferred to Carbon, and we expect it to be a useful part of their modeling capability. Future work includes improvements to the fluid solver’s robustness and performance, along with the addition of additional physics models.

42 ENGINEERING↗

Development of a Multi-physics Model to Optimize Continuous Liquid Interface Production (CLIP) for Additive Manufacturing (Carbon3D HPC4Mfg Final Report)

Continuous Liquid Interface Production (CLIP) is poised to bring additive manufacturing to multiple American manufacturing sectors owing to its unique combination of rapid print speeds and material options that resemble injection molding thermoplastics. In spite of these benefits, CLIP is still a maturing process. To improve our understanding and control of the process, this project developed a multi-physics computational model that encompasses the coupled chemical-physical processes of photopolymerization and fluid flow to predict part outcomes. A physically predictive model can enable rapid optimization of CLIP and reduce the current cycle time and waste associated with optimization by four-fold. Ultimately, this effort will help open the U.S. $400B plastic manufacturing industry to the key benefits of additive manufacturing, namely mass customization, unlimited design space, and a cost- and energy-effective path to mainstream manufacturing. In the course of the project we produced a model which coupled fluid-flow, species transport, and photochemistry to model the Carbon CLIP process. As the development proceeded, we validated the code against theory and experiments. The resulting code was transferred to Carbon, and we expect it to be a useful part of their modeling capability. Future work includes improvements to the fluid solver’s robustness and performance, along with the addition of additional physics models.

36 MATERIALS SCIENCE↗

Linac_Gen: Integrating Machine Learning and Particle-in-Cell Methods for Enhanced Beam Dynamics at Fermilab

Here, we introduce Linac_Gen, a tool developed at Fermilab, which combines machine learning algorithms with Particle-in-Cell methods to advance beam dynamics in linacs. Linac_Gen employs techniques such as Random Forest, Genetic Algorithms, Support Vector Machines, and Neural Networks, achieving a tenfold increase in speed for phase-space matching in Linacs over traditional methods, through the use of genetic algorithms. Crucially, Linac_Gen's adept handling of 3D field maps elevates the precision and realism in simulating beam instabilities and resonances, marking a key advancement in the field. Benchmarked against established codes, Linac_Gen demonstrates not only improved efficiency and precision in beam dynamics studies but also in the design and optimization of Linac systems, as evidenced in its application to Fermilab's PIP-II Linac project. This work represents a notable advancement in accelerator physics, marrying ML with PIC methods to set new standards for efficiency and accuracy in accelerator design and research. Linac_Gen exemplifies a novel approach in accelerator technology, offering substantial improvements in both theoretical and practical aspects of beam dynamics.

43 PARTICLE ACCELERATORS↗

Linac_Gen: integrating machine learning and particle-in-cell methods for enhanced beam dynamics at Fermilab

Here, we introduce Linac_Gen, a tool developed at Fermilab, which combines machine learning algorithms with Particle-in-Cell methods to advance beam dynamics in linacs. Linac_Gen employs techniques such as Random Forest, Genetic Algorithms, Support Vector Machines, and Neural Networks, achieving a tenfold increase in speed for phase-space matching in linacs over traditional methods through the use of genetic algorithms. Crucially, Linac_Gen's adept handling of 3D field maps elevates the precision and realism in simulating beam instabilities and resonances, marking a key advancement in the field. Benchmarked against established codes, Linac_Gen demonstrates not only improved efficiency and precision in beam dynamics studies but also in the design and optimization of linac systems, as evidenced in its application to Fermilab's PIP-II linac project. This work represents a notable advancement in accelerator physics, marrying ML with PIC methods to set new standards for efficiency and accuracy in accelerator design and research. Linac_Gen exemplifies a novel approach in accelerator technology, offering substantial improvements in both theoretical and practical aspects of beam dynamics.

43 PARTICLE ACCELERATORS↗

DIF3D-VARIANT 12.0: Updates and New Features

The DIF3D code has been a workhorse of fast reactor analysis work at Argonne National Laboratory for over 40 years. In 1995, a transport option called VARIANT was added to DIF3D to improve the flux solutions for fast reactor problems which we term DIF3D-VARIANT today. DIF3D-VARIANT performs nodal neutron transport calculations using P N or SP N theory in Cartesian and hexagonal two- and three-dimensional geometries. The limited computing capabilities of the time restricted DIF3D-VARIANT to use at most a 6 th order spatial approximation combined with a P3 flux approximation and P1 scattering kernel for a 33 group structure on most studied reactor problems. Computer capabilities have increased steadily since 1995 and today much larger space-angle-energy approximations are possible. This manuscript serves as an update to the theory section of the original DIF3D-VARIANT manual and details more than twenty years of changes made to DIF3D to make version 12 which was released on November 1 st , 2024. The primary focus of the initial work was to extend the space-angle approximations available in DIF3D-VARIANT such that the error due to transport approximations could be better understood. This work was started and completed in 2002 and marked the official version 10. Unfortunately, those higher order approximations could not be used at that time due to the memory constraints of the BPOINTER part of DIF3D (limited to 2 GB). In version 11, completed in 2012, BPOINTER was circumvented in DIF3D-VARIANT for the largest arrays by introducing a Fortran 90 module called LMA (Large Memory Array). This seamlessly replaces all of the functionality of the BPOINTER concept, but it allows 64 bit addressing for every array such that they can be larger than 2 GB. It is now common for DIF3D-VARIANT jobs to consume 50 GB of memory on modern workstations when using high order space-angle approximations and a large number of groups. Many improvements were made to version 11 from 2012 to 2022 when work to create version 12 started. For version 12, several parts of DIF3D were updated to improve performance and thread parallelism was introduced to further reduce the runtime. Numerous minor bugs were discovered in DIF3D-VARIANT as part of the process of creating the perturbation and sensitivity code PERSENT. All of these algorithmic problems were identified in the transition from version 10 to version 11 which prevented DIF3D-VARIANT from running efficiently and reliably. Firstly, the coarse mesh rebalance scheme would routinely diverge and a study detailed in this report demonstrates how it was also typically not effective. This is not a failure of the coarse mesh rebalance methodology, but a failure of its implementation in DIF3D-VARIANT for hexagonal geometries. The fission source extrapolation algorithm was also found to be unreliable on larger group structure problems, leading to divergence in some cases and a negligible improvement in performance overall. Finally, the “Omega” acceleration applied to the partial current solver routine of DIF3D-VARIANT was found to cause DIF3D-VARIANT to converge to the wrong answer. To resolve these issues, both the coarse mesh rebalance and fission source extrapolation were permanently disabled in version 11. The Tchebychev acceleration was put in as a temporary reliable alternative but it is generally inferior to coarse mesh rebalance or coarse mesh finite difference. For the Omega acceleration, the factor was restricted to guarantee that it would not cause follow-on errors in PERSENT. Due to limited funding to support maintenance and development of DIF3D in the last 10 years, no effort was spent since to resolve the outer iteration acceleration. Except for the threading work, all of the changes discussed in this manuscript refer to changes made between version 10 and version 11. Performance comparisons are done to demonstrate the improvements from version 9 to version 12. As will be demonstrated, the updated versi

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Results of the KRUSTY Warm Critical Experiments

The Kilowatt Reactor Using Stirling TechnologY (KRUSTY) was a prototypic nuclear-powered test of a 5-kW(thermal) Kilopower space reactor. This paper presents results from the KRUSTY warm critical experiments, which were completed prior to the final system test. The first set of criticals comprised cold or zero-power criticals; i.e., the core was not heated by fission power. These were followed by three warm criticals, where fission power heated the core to 200°C, 300°C, and 450°C, respectively. These criticals provided the data, confidence, and regulatory framework that were needed to proceed with the KRUSTY nuclear system test. The criticals also provided valuable data for the benchmarking of codes applicable to all nuclear systems. Finally, a comparison of KRUSTY results to pretest predictions is provided, and overall, the models matched the experimental results very closely.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

23, 381, 6242, 103268, 1743183, ...:Hilbert series for CP-violating operators in SMEFT

We introduce a systematic method to classify the Standard Model Effective Field Theory (SMEFT) operators based on their CP properties with the Hilbert series techniques. Our method makes it possible to enumerate operators violating CP symmetry in a few seconds. We present the complete classification of dimension eight operators under CP transformation, and the number of CP-odd or CP-violating operators are listed up to dimension 14. We also provide a companion code in Form that allows anybody to reproduce our results.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Preliminary results of the 2023 International Fermilab Booster Studies

Here, an overview is given of the methods and preliminary results from dedicated beam studies on three topics conducted over five days in July 2023. In the first study, the Fermilab Booster magnets were held constant at magnetic fields corresponding to the injection energy. The beam loss and emittance growth were observed under varying intensity, tunes, and sextupole resonances. The corresponding beam conditions were also simulated with the MADX-SC code [1]. In the second study, measurements of the vertical half-integer resonance and correction methods are conducted for high-intensity beams ramping in the Booster. Finally, syncho-betatron instabilities are observed during transition-crossing in the Booster under strong space-charge conditions.

43 PARTICLE ACCELERATORS↗

Combining variational autoencoders and physical bias for improved microscopy data analysis *

Electron and scanning probe microscopy produce vast amounts of data in the form of images or hyperspectral data, such as electron energy loss spectroscopy or 4D scanning transmission electron microscope, that contain information on a wide range of structural, physical, and chemical properties of materials. To extract valuable insights from these data, it is crucial to identify physically separate regions in the data, such as phases, ferroic variants, and boundaries between them. In order to derive an easily interpretable feature analysis, combining with well-defined boundaries in a principled and unsupervised manner, here we present a physics augmented machine learning method which combines the capability of variational autoencoders to disentangle factors of variability within the data and the physics driven loss function that seeks to minimize the total length of the discontinuities in images corresponding to latent representations. Our method is applied to various materials, including NiO-LSMO, BiFeO 3 , and graphene. The results demonstrate the effectiveness of our approach in extracting meaningful information from large volumes of imaging data. The customized codes of the required functions and classes to develop phyVAE is available at https://github.com/arpanbiswas52/phy-VAE.

97 MATHEMATICS AND COMPUTING↗

ZFS Interface For Accelerators

As data volume increases in HPC centers, storing data in reasonable amounts of space and time while maintaining data integrity and recoverability becomes ever more difficult. ZFS is a filesystem that provides these features, among many others, that make it attractive for usage in HPC environments. It has the ability to compress data, compute checksums, and compute redundancy codes within the same runtime, rather than compute each separately, without knowledge of the underlying structure of the filesystem. However, measurements have shown that compression on CPUs can be incredibly inefficient and significantly reduce the performance of ZFS. The ZFS Interface for Accelerators (Z.I.A.) was developed to provide an interface to route data to accelerators while being processed by ZFS, so that the ZFS infrastructure and features are maintained, while allowing for ZFS administrators to provide faster implementations of compression, or other features, to their instance of ZFS.

Lee, Jason↗

The Pantheon+ Analysis: Forward Modeling the Dust and Intrinsic Color Distributions of Type Ia Supernovae, and Quantifying Their Impact on Cosmological Inferences

Abstract Recent studies have shown that the observed color distributions of Type Ia supernovae (SNe Ia) can be well described by a combination of a dust distribution and an intrinsic color distribution. Using the Pantheon+ sample of 1701 SN Ia, we apply a new forward-modeling fitting method (Dust2Dust) to measure the parent dust and color distributions, including their dependence on host-galaxy mass. At each fit step, the SN Ia selection efficiency is determined from a large simulated sample that is reweighted to reflect the proposed distributions. We use five separate metrics to describe the goodness of fit: distribution of fitted light-curve color c , cosmological residual trends with c , cosmological residual scatter with c , fitted color–luminosity relationship β SALT2 , and intrinsic scatter σ int . We present the results and the uncertainty in 12-dimensional space. Furthermore, we measure that the uncertainty on this modeling propagates to an upper threshold uncertainty in the equation of state of dark energy w of 0.014(1) for the Pantheon+ cosmology analysis and contributes negligible uncertainty to the Hubble constant H 0 . The Dust2Dust code is made publicly available at https://github.com/djbrout/dustdriver .

79 ASTRONOMY AND ASTROPHYSICS↗