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At least 253 records · Page 14

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than \building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of MCNP, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of MCNP, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results analysis methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Performance-portable Binary Neutron Star Mergers with AthenaK

We introduce an extension to the AthenaK code for general-relativistic magnetohydrodynamics (GRMHD) in dynamical spacetimes using a 3+1 conservative Eulerian formulation. Like the fixed-spacetime GRMHD solver, we use standard finite-volume methods to evolve the fluid and a constrained-transport scheme to preserve the divergence-free constraint for the magnetic field. We also utilize a first-order flux correction (FOFC) scheme to reduce the need for an artificial atmosphere and optionally enforce a maximum principle to improve robustness. We demonstrate the accuracy of AthenaK using a set of standard tests in flat and curved spacetimes. Using a SANE accretion disk around a Kerr black hole, we compare the new solver to the existing solver for stationary spacetimes using the so-called "HARM-like" formulation. We find that both formulations converge to similar results. We also include the first published binary neutron star (BNS) mergers performed on graphical processing units (GPUs). Thanks to the FOFC scheme, our BNS mergers maintain a relative error of $\mathcal{O}$(10 –11 ) or better in baryon mass conservation up to collapse. Finally, we perform scaling tests of AthenaK on OLCF Frontier, where we show excellent weak scaling of ≥80% efficiency up to 32,768 GPUs and 74% up to 65,536 GPUs for a GRMHD problem in dynamical spacetimes with six levels of mesh refinement. AthenaK achieves an order-of-magnitude speedup using GPUs compared to CPUs, demonstrating that it is suitable for performing numerical relativity problems on modern exascale resources.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Modernizing the active neutron collar poison rod correction using simulations to enhance PWR fresh fuel verification

The declared inventory of 235 U in fresh, low enriched uranium, nuclear fuel assemblies is routinely verified by nuclear safeguards inspectorates using the UNCL (Uranium Neutron Collar – Light Water Reactor Fuel) nondestructive assay instrument. The trend in modern fuels is towards higher initial enrichment, which in turn requires a larger number of burnable poison pins with higher Gadolinia concentration to hold down the initial reactivity. UNCL assay error for modern fuel assemblies typically exceeds 10%. The traditional algorithm used to correct the response for burnable poison content needs revision to achieve accuracy comparable to the $\sigma_\text{R}$ of 4.5% expected for poison-free assemblies. Here we review the problem and use a large set of 287 Monte Carlo simulations based on an experimentally benchmarked model corresponding to the 16×16 PWR array used in Brazilian Angra type II and III fuel. Simulated relative responses are used to evaluate the functional form of the poison correction and determine parameters optimal for 16×16 PWR assemblies. This update is conducted using between 4–24 Gadolinia pins ranging 2–11 wt% Gd 2 O 3 with assemblies having mean enrichments ranging 2.5%–5%. Experimental validation of the updated coefficients using seven measurements shows bias is reduced by an order of magnitude and $\sigma_\text{R}$R reduced from 10% to less than 2%. Two updated sets of coefficients are provided, the most accurate of which is directly useable in the existing analysis code (INCC) in use by inspectorate at fuel fabrication facilities.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) confirm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exemplified through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Analytic Modeling of a Deep Shielding Problem

Previous generations of scientists would make tremendous efforts to simplify non-tractable problems and generate simpler models that preserved the fundamental physics. This process involved applying assumptions and simplifications to reduce the complexity of the problem until it reached a solvable form. Each assumption and simplification was chosen and applied with the intent to preserve the essential physics of the problem, since, if the core physics of the problem were eliminated, the simplified model served no purpose. Moreover, if done correctly, solutions to the reduced model would serve as useful approximations to the original problem. In a sense, solving the simple models laid the ground-work for and provided insight into the more complex problem. Today, however, the affordability of high performance computing has essentially replaced the process for analyzing complex problems. Rather than "building up" a problem by understanding smaller, simpler models, a user generally relies on powerful computational tools to directly arrive at solutions to complex problems. As computational resources grow, users continue trying to simulate new, more complex, or more detailed problems, resulting in continual stress on both the code and computational resources. When these resources are limited, the user will have to make concessions by simplifying the problem while trying to preserve important details. In the context of the Monte Carlo N-Particle radiation transport simulation tool, simplifications typically come as reductions in geometry, or by using variance reduction techniques. Both approaches can influence the physics of the problem, leading to potentially inaccurate or non-physical results. Errors can also be introduced as a result of faulty input into a computational tool: something as simple as transposing numbers in a tally input can result in incorrect answers. In this paradigm, reduced complexity computational and analytical models still have an important purpose. The explicit form of an analytic solution is arguably the best way to understand the qualitative properties of simple models. In contrast to "building up" a complex problem through understanding simpler problems, results from detailed computational scenarios can be better explained by "building down" the complex model through simple models rooted in the fundamental or essential phenomenology. Simplified analytic and computational models can be used to 1) increase a user's confidence in the computational solution of a complex model, 2) con firm there are no user input errors, and 3) ensure essential assumptions of the simulation tool are preserved. This process of using analytic models to develop a more valuable analysis of simulation results is named the results assessment methodology. The utility of the results assessment methodology and a complimentary sensitivity analysis is exempli fied through the analysis of the neutron flux in a dry used fuel storage cask. This application was chosen due to current scientific interest in used nuclear fuel storage.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NISQ+: Boosting quantum computing power by approximating quantum error correction

Quantum computers are growing in size, and design decisions are being made now that attempt to squeeze more computation out of these machines. In this spirit, we design a method to boost the computational power of near-term quantum computers by adapting protocols used in quantum error correction to implement "Approximate Quantum Error Correction (AQEC)." By approximating fully-fledged error correction mechanisms, we can increase the compute volume (qubits × gates, or "Simple Quantum Volume (SQV)") of near-term machines. The crux of our design is a fast hardware decoder that can approximately decode detected error syndromes rapidly. Specifically, we demonstrate a proof-of-concept that approximate error decoding can be accomplished online in near-term quantum systems by designing and implementing a novel algorithm in Single-Flux Quantum (SFQ) superconducting logic technology. This avoids a critical decoding backlog, hidden in all offline decoding schemes, that leads to idle time exponential in the number of T gates in a program. Our design utilizes one SFQ processing module per physical qubit. Employing state-of-the-art SFQ synthesis tools, we show that the circuit area, power, and latency are within the constraints of contemporary quantum system designs. Under pure dephasing error models, the proposed accelerator and AQEC solution is able to expand SQV by factors between 3,402 and 11,163 on expected near-term machines. The decoder achieves a 5% accuracy-threshold and pseudo-thresholds of ~ 5%,4.75%,4.5%, and 3.5% physical error-rates for code distances 3,5,7, and 9. Decoding solutions are achieved in a maximum of ~20 nanoseconds on the largest code distances studied. By avoiding the exponential idle time in offline decoders, we achieve a 10x reduction in required code distances to achieve the same logical performance as alternative designs.

97 MATHEMATICS AND COMPUTING↗

Well-balanced treatment of gravity in astrophysical fluid dynamics simulations at low Mach numbers

We report accurate simulations of flows in stellar interiors are crucial to improving our understanding of stellar structure and evolution. Because the typically slow flows are merely tiny perturbations on top of a close balance between gravity and the pressure gradient, such simulations place heavy demands on numerical hydrodynamics schemes. We demonstrate how discretization errors on grids of reasonable size can lead to spurious flows orders of magnitude faster than the physical flow. Well-balanced numerical schemes can deal with this problem. Three such schemes were applied in the implicit, finite-volume SEVEN-LEAGUE HYDRO code in combination with a low-Mach-number numerical flux function. We compare how the schemes perform in four numerical experiments addressing some of the challenges imposed by typical problems in stellar hydrodynamics. We find that the α-β and deviation well-balancing methods can accurately maintain hydrostatic solutions provided that gravitational potential energy is included in the total energy balance. They accurately conserve minuscule entropy fluctuations advected in an isentropic stratification, which enables the methods to reproduce the expected scaling of convective flow speed with the heating rate. The deviation method also substantially increases accuracy of maintaining stationary orbital motions in a Keplerian disk on long timescales. The Cargo–LeRoux method fares substantially worse in our tests, although its simplicity may still offer some merits in certain situations. Overall, we find the well-balanced treatment of gravity in combination with low Mach number flux functions essential to reproducing correct physical solutions to challenging stellar slow-flow problems on affordable collocated grids.

79 ASTRONOMY AND ASTROPHYSICS↗

Experiment and simulation of high-speed gas jet penetration into a semicircular fluidized bed

This work marks the third in a series of experiments that were in a semi-circular, gas-fluidized bed with side jets. In this work, the particles are (nominally) 1 mm ceramic beads. The bed is operated just at and slightly above and below the minimum fluidization velocity and additional fluidization is provided by two high-speed gas located on the sides of the bed near the flat, front face of the unit. Two primary measurements are taken: high-speed video recording of the front of the bed and bed pressure drop from a tap in the back of the bed. Particle Image Velocimetry (PIV) is used to determine particle motion, characterized as a mean Froude number, from the high-speed video. A CFD-DEM model of the bed is presented using the recently released MFIX-Exa code. Four model subvariants are considered using two methods of representing the jets and two drag models, both of which are calibrated to exactly match the experimentally measured minimum fluidization velocity. Although it is more difficult to determine the jet penetration depths in a straightforward manner as in the previous works using Froude number contours, the CFD-DEM results compare quite well to the PIV measurements, particularly for submodel flow Syam. Unfortunately, the good agreement of the solids-phase is overshadowed by significant disagreement in the gas-phase data. Specifically, the predicted time averaged standard deviation of the pressure drop is found to be over an order of magnitude larger than measured. Due to the low value of the measurements, just 1% of the mean bed pressure drop, it seems possible that the data is in error. On the other hand, the model may not be accurately capturing pressure attenuation through an under-fluidized region in the back of the bed. Without the possibility additional experiments to test the validity of the data, this work is simply being reported “as is” without being able to indicate which, either the simulation or the experiment, is more correct.<br>

Fullmer, William D.↗

Constant-Overhead Fault-Tolerant Bell-Pair Distillation Using High-Rate Codes

We present a fault-tolerant Bell-pair distillation scheme achieving constant overhead through high-rate quantum low-density parity-check (qLDPC) codes. Our approach maintains a constant distillation rate equal to the code rate while requiring no additional overhead beyond the physical qubits of the code. Full circuit-level analysis demonstrates fault-tolerance for input Bell-pair infidelities below a threshold ∼10%, readily achievable with near-term capabilities. Unlike previous proposals, our scheme keeps the output Bell pairs encoded in qLDPC codes at each node, eliminating unencoding overhead and enabling direct use in distributed quantum applications through recent advances in qLDPC computation. These results establish qLDPC-based distillation as a practical route toward resource-efficient quantum networks and distributed quantum computing.

quantum communication, protocols & technology↗

Correcting for Selection Biases in the Determination of the Hubble Constant from Time-Delay Cosmography

The time delay between multiple images of strongly lensed quasars has been used to infer the Hubble constant. The primary systematic uncertainty for time-delay cosmography is the mass-sheet transform (MST), which preserves the lensing observables while altering the inferred ⁠H 0 . The TDCOSMO collaboration used velocity dispersion measurements of lensed quasars and lensed galaxies to infer that mass sheets are present, which decrease the inferred H 0 by 8 per cent. Here, we test the assumption that the density profiles of galaxy–galaxy and galaxy–quasar lenses are the same. We use a composite star-plus-dark-matter mass profile for the parent deflector population and model the selection function for galaxy–galaxy and galaxy–quasar lenses. We find that a power-law density profile with an MST is a good approximation to a two-component mass profile around the Einstein radius, but we find that galaxy–galaxy lenses have systematically higher mass-sheet components than galaxy–quasar lenses. For individual systems, λ int correlates with the ratio of the half-light radius and Einstein radius of the lens. By propagating these results through the TDCOSMO hierarchical inference code, we find that H 0 is lowered by a further 3 per cent. Using a more recent measurement of velocity dispersions and our fiducial model for selection biases, we infer H 0 = 66 ± 4 (stat) ± 1 (model sys) ± 2 (measurement sys) km s -1 Mpc -1 for the TDCOSMO plus SLACS data set. The first residual systematic error is due to plausible alternative choices in modelling the selection function, and the second is an estimate of the remaining systematic error in the measurement of velocity dispersions for SLACS lenses. Accurate time-delay cosmography requires precise velocity dispersion measurements and accurate calibration of selection biases.

79 ASTRONOMY AND ASTROPHYSICS↗

Multitarget Rydberg gates via spatial blockade engineering

Multi-target gates offer the potential to reduce gate depth in syndrome extraction for quantum error correction. Although neutral-atom quantum computers have demonstrated native multi-qubit gates, existing approaches that avoid additional control or multiple atomic species have been limited to single-target gates. We propose single-control-multi-target CZ^n gates on a single-species neutral-atom platform that require no extra control and have gate durations comparable to standard CZ gates. Our approach leverages tailored interatomic distances to create an asymmetric blockade between the control and target atoms. Using a GPU-accelerated pulse synthesis protocol, we design smooth control pulses for CZZ and CZZZ gates, achieving fidelities of up to 99.55% and $99.24\%$, respectively, even in the presence of simulated atom placement errors and Rydberg-state decay. Our approach is most effective for N=2 (CZZ) and N=3 targets (CZZZ); for larger N, increasing spatial crowding of the targets introduces significant challenges for maintaining the required blockade asymmetry. This work presents a practical path to implementing low-overhead multi-target gates in single-species neutral-atom systems, significantly reducing the resource overhead for syndrome extraction. To motivate the impact of these gates, we apply a greedy scheduling algorithm and we demonstrate that our proposed gates can reduce the number of atom reconfiguration costs by up to 50% for color code syndrome extraction of code distances greater than 5.

Stein, Samuel A.↗

NRC Multiphysics Analysis Capability Deployment FY2020 - Part 4

This report details progress and activities of Idaho National Laboratory (INL) on the Nuclear Regulatory Commission (NRC) project “Development and Modeling Sup- port for Advanced Non-Light Water Reactors.” The tasks completed for this report are: • Task 3a: This task demonstrates the effectiveness of Griffin’s methods for interpolating cross sections and SPH correction factors as a function of control drum rotation. The Monte Carlo code Serpent is used to generate reference results. The accuracy of Griffin-calculated eigenvalues and reaction rates are studied as a function of control drum rotation for cross section and SPH factor libraries of varying fidelity. Higher-fidelity libraries require less interpolation and are therefore inherently more accurate; however, they require more computational resources to create. Overall, Griffin is able to accurately model eigenvalue and reaction rates over the full range of drum rotation using a library generated from three to five discrete drum rotations for a particular microreactor design. • Task 3c: This preliminary task successfully demonstrates the performance of a coupled neutron-photon transport calculation with Griffin using the spherical harmonics approximation. The Griffin solutions are compared to reference solutions from the continuous energy Monte Carlo codes MCNP and Serpent. Furthermore, this work also demonstrates how to prepare the neutron and photon libraries using NJOY, MCNP, and Serpent with the latest ENDF/B-VIII data for 235 U and graphite. The Griffin total energy deposition in the active core region is calculated within 0.3% of the reference, but it degrades in the reflector regions with a maximum difference of -1.5%. Overall, the results look promising and future analysis should use an improved data stream and focus on determining the potential cancellation of error within each energy group.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Differentiable Preisach Modeling for Characterization and Optimization of Particle Accelerator Systems with Hysteresis

Future improvements in particle accelerator performance are predicated on increasingly accurate online modeling of accelerators. Hysteresis effects in magnetic, mechanical, and material components of accelerators are often neglected in online accelerator models used to inform control algorithms, even though reproducibility errors from systems exhibiting hysteresis are not negligible in high precision accelerators. Here, we combine the classical Preisach model of hysteresis with machine learning techniques to efficiently create nonparametric, high-fidelity models of arbitrary systems exhibiting hysteresis. We experimentally demonstrate how these methods can be used in situ, where a hysteresis model of an accelerator magnet is combined with a Bayesian statistical model of the beam response, allowing characterization of magnetic hysteresis solely from beam-based measurements. Finally, we explore how using these joint hysteresis-Bayesian statistical models allows us to overcome optimization performance limitations that arise when hysteresis effects are ignored.

43 PARTICLE ACCELERATORS↗

Efficient Simulation of Logical Magic State Preparation Protocols

Developing space- and time-efficient logical magic state preparation (MSP) protocols will likely be an essential step toward building a large-scale fault-tolerant quantum computer. Motivated by this need, we introduce a scalable method for simulating logical MSP protocols under the standard circuit-level noise model. When applied to protocols based on code-switching, magic state cultivation, and magic state distillation, our method yields a complexity polynomial in (i) the number of qubits and (ii) the nonstabilizerness, e.g., stabilizer rank or Pauli rank, of the target encoded magic state. The efficiency of our simulation method is rooted in a curious fact: every circuit-level Pauli error in these protocols propagates to a Clifford error at the end. This property is satisfied by a large family of protocols, including those that repeatedly measure a transversal Clifford that squares to a Pauli. We provide a proof-of-principle numerical simulation that prepares a magic state using such logical Clifford measurements. Our work enables practical simulation of logical MSP protocols without resorting to approximations or resource-intensive state-vector simulations.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Validation of SOLPS-ITER simulations with kinetic, fluid, and hybrid neutral models for JET-ILW low-confinement mode plasmas

For JET L-mode plasmas in low-recycling conditions (electron temperature at the outer strike point, T e,ot ≳ 30 eV ), SOLPS-ITER simulations agree within the error bars for the experimental profiles at the low-field side (LFS) divertor target. The peak Balmer-α (Dα ) emission in the LFS divertor agrees within the error bars of the KS3 filterscope diagnostic, but is approximately 30% lower than the peak value of the KT1 spectrometer. Simulations have been performed with fluid, kinetic, and hybrid models for the neutrals. The large fluid-kinetic discrepancies of more than a factor 2 are successfully corrected by using a hybrid fluid-kinetic approach, for which kinetic atoms are transferred to the fluid population when the local Knudsen number of the atom becomes smaller than a user-defined transition Knudsen number Kn t . The hybrid-kinetic discrepancies are limited to a few % for Kn t ≤ 100 . When increasing the upstream density to high-recycling conditions, at the onset of detachment ( T e,ot ≈ 5 eV ), the simulations predict more than a factor 2 lower peak ion saturation current to the LFS divertor than the experiments. Also the Dα emission is underpredicted with approximately a factor 2. For these high-recycling conditions, the fluid-kinetic discrepancies are limited to maximum 50%, which are again corrected by using the hybrid approach.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Generating MCNP Input Files for Unstructured Mesh Geometries

The Los Alamos National Laboratory’s (LANL) Monte Carlo N-Particle (MCNP)1 transport code version 6.3 (also known as MCNP6.3) has the capability for tracking particles on unstructured mesh (UM) geometry models embedded into constructive solid geometry (CSG) cells. This feature has been developed for performing calculations of complex geometry models because manually creating CSG models is time-consuming and error-prone as the complexities of geometries increase. A UM geometry model is a collection of finite elements representing a solid geometry. The first step of the MCNP UM calculation is using other software packages to create a finite element mesh representation of a solid 3D geometry because the MCNP code cannot be used to generate a UM model. Computer-aided design (CAD) software is typically used to create a solid geometry model, which is later imported into mesh generation software to create a UM model. Some mesh generation software packages may also be used to create solid geometries and thus CAD files are not needed. The MCNP UM feature was originally designed for models generated by the Abaqus/CAE software suite. The MCNP code version 6.0 and later can process UM models formatted as Abaqus input files. Starting with a 6.3 version, the MCNP code can process HDF5 mesh input files. We only focus on the UM models formatted as Abaqus input files in this report since currently no external software can be used to generate HDF5 mesh input files for MCNP UM calculations. The MCNP code version 6.3 can be used to convert the Abaqus mesh input files into the HDF5 mesh input files, but this option is typically used by the MCNP code development team to test the HDF5 mesh input file feature. Several software packages (such as Abaqus, Attila4MC, or Cubit) can be used to create the Abaqus input files for MCNP UM calculations. An MCNP UM calculation using an Abaqus model requires two input file types: MCNP and Abaqus input files. The Abaqus input files needed for MCNP UM calcu lations must have the correct Abaqus syntax and meet the additional requirements by the MCNP code. The MCNP code can process only Abaqus input files that make use of part and assembly definitions, where elements in each part must be grouped into one or more element sets (i.e., elset) using *Elset keyword lines with specified naming formats. The MCNP and Abaqus input files required for MCNP UM simulations must be related; pseudo-cells in an MCNP input file must be constructed from mesh model data from an Abaqus input file. For large complex UM models, it is tedious to manually create MCNP UM input files. The um pre op (unstructured mesh pre operations) program with the -m option can be used to create a skeleton MCNP input file from an Abaqus input file [6]. Since the um pre op program was written in Fortran and was not written for optimized performance, this program is a deprecated feature in the MCNP code version 6.3 and may be removed in the next release of the code. To improve calculation flow of multiphysics calculations, a Python3 code called write mcnp um input has been developed to generate an MCNP input file instead of using the um_pre_op -m option. This Python code was initially released to the public in 2020. We have updated this Python code for MCNP6.3 and it was used to generate the MCNP input files used to verify the MCNP6.3 code. The write_mcnp_um_input code is included with the MCNP6.3 code package which will be released to the public through the Radiation Safety Information Computational Center (RSICC) at Oak Ridge National Laboratory. This report is a revision of LA-UR-20-27139 report.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Alchemy: A Model-Based Approach for 2D to 3D Autonomous Nuclear System Design

Engineering design of nuclear power plant (NPP) piping and equipment systems frequently bypasses crucial 2D system planning, instead moving straight to 3D modeling. This often leads to designs that exceed building envelope constraints, forcing expensive and time-consuming redesigns. When 2D modeling is employed, it typically involves labor-intensive manual workflows that convert 2D drawings into 3D models, resulting in inefficiencies and errors across design iterations. These workflows further suffer from poor software interoperability and dependence on proprietary software ecosystems, thereby contributing to schedule delays and cost overruns. This paper presents Alchemy, an autonomous framework that transforms 2D system definitions into Industry Foundation Classes (IFC)-compliant 3D building information models (BIMs) for expediting nuclear facility design at the conceptual preliminary phase. Using a model-based approach, the framework treats the 2D system diagram as the central reference model employed to automatically generate all subsequent outputs, ensuring consistency between the system definition and the resulting physical design. A web-based interface enables engineers to define hierarchical system topologies including associated equipment, geometric properties, and connectivity requirements. A two-phase equipment layout optimization algorithm automatically computes collision-free spatial configurations within predefined building envelopes. An artificial intelligence (AI)-assisted pipe routing module then generates orthogonal, collision-free routing paths, allowing the user to select either an A* search-based method or an Ant Colony Optimization (ACO)-based method. All outputs are authored natively in IFC format, relying on open-source technologies and standardized formats in order to ensure extensibility and eliminate proprietary software dependencies. The proposed framework is validated on two representative pressurized-water reactor (PWR)-based case studies, for which it autonomously generates IFC-compliant 3D models in minutes, drastically reducing workflows that typically require hours of manual effort. The generated model demonstrates topologically correct equipment placement, physically plausible spatial relationships, and collision-free pipe routing consistent with known PWR loop configurations. This work represents a foundational step toward digital engineering for nuclear facility preliminary design, with future ongoing development targeting design code compliance and expanded system complexity.

97 - MATHEMATICS AND COMPUTING↗