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At least 127 records · Page 7

Real-time Exponential Curve Fits Using Discrete Calculus

This paper presents an improved solution for curve fitting data to an exponential equation (Y = AeBt + C). This improvement is in four areas ? speed, stability, determinant processing time, and the removal of limits. The solution presented in this paper avoids iterative techniques and their stability errors by using three mathematical ideas ? discrete calculus, a special relationship (between exponential curves and the Mean Value Theorem for Derivatives), and a simple linear curve fit algorithm. This method can also be applied to fitting data to the general power law equation Y = AxB + C and the general geometric growth equation Y = AkBt + C.

Rowe, Geoffrey K.↗

Improving stability and strength characteristics of framed structures with nonlinear behavior

In this paper an optimal design procedure is introduced to improve the overall performance of nonlinear framed structures. The design methodology presented here is a multiple-objective optimization procedure whose objective functions involve the buckling eigenvalues and eigenvectors of the structure. A constant volume with bounds on the design variables is used in conjunction with an optimality criterion approach. The method provides a general tool for solving complex design problems and generally leads to structures with better limit strength and stability. Many algorithms have been developed to improve the limit strength of structures. In most applications geometrically linear analysis is employed with the consequence that overall strength of the design is overestimated. Directly optimizing the limit load of the structure would require a full nonlinear analysis at each iteration which would be prohibitively expensive. The objective of this paper is to develop an algorithm that can improve the limit-load of geometrically nonlinear framed structures while avoiding the nonlinear analysis. One of the novelties of the new design methodology is its ability to efficiently model and design structures under multiple loading conditions. These loading conditions can be different factored loads or any kind of loads that can be applied to the structure simultaneously or independently. Attention is focused on optimal design of space framed structures. Three-dimensional design problems are more complicated to carry out, but they yield insight into real behavior of the structure and can help avoiding some of the problems that might appear in planar design procedure such as the need for out-of-plane buckling constraint. Although researchers in the field of structural engineering generally agree that optimum design of three-dimension building frames especially in the seismic regions would be beneficial, methods have been slow to emerge. Most of the research in this area has dealt with the optimization of truss and plane frame structures.

Pezeshk, Shahram↗

Initial design concepts for solid boron injection in ITER

As part of ITER’s consideration to change its first wall material from beryllium to tungsten, the ITER Organization has proposed studying the feasibility of real-time solid boron injection (SBI) into the plasma to coat the walls and divertor to supplement glow discharge boronization (GDB). Boron deposits getter oxygen and reduce sputtering of tungsten from plasma facing components (PFCs). Particularly in areas with significant plasma wall interactions, boron coatings are expected to be short-lived under high performance plasma conditions. The proposed SBI system aims to maintain boron layers in these areas to avoid excessive radiation from tungsten in the plasma as a risk mitigation to ensure ITER will be able to reach and sustain Q = 10 conditions. The system will be used sparingly, as redeposition of boron can lead to significant tritium retention, which must be minimized in ITER to comply with nuclear safety concerns. SBI is proposed to limit and precisely control the amount of boron injected in real-time during plasma operation. Here, some of the design requirements and initial concepts for an SBI system in ITER are presented based on previous results carried out with SBI systems on a number of tokamaks and stellarators around the world. Previous results using SBI systems installed by PPPL have injected boron particles from 5 µm–2 mm diameter at calibrated rates of 2–200 mg/s in real-time during plasma operation on AUG, DIII-D, EAST, KSTAR, LHD, TFTR, WEST, and W7-X, leading to improved wall conditions with reduced plasma impurity concentrations and radiated power and improved plasma performance. The boron is ionized in the plasma edge and then deposited on plasma-wetted surfaces. On AUG, EAST and WEST reduced tungsten sputtering sources were observed following several discharges with SBI. Extrapolation of these SBI results are presented to estimate the amount of boron needed for wall conditioning in ITER. Real-time SBI control requirements and plasma operation scenarios for ITER are also described.

36 MATERIALS SCIENCE↗

Autoregressive long-horizon prediction of plasma edge dynamics *

Accurate modeling of scrape-off layer (SOL) and divertor-edge dynamics is vital for designing plasma-facing components in fusion devices. High-fidelity edge fluid/neutral codes such as SOLPS-ITER capture SOL physics with high accuracy, but their computational cost limits broad parameter scans and long transient studies. We present transformer-based, autoregressive surrogates for efficient prediction of 2D, time-dependent plasma edge state fields. Trained on SOLPS-ITER spatiotemporal data for the KSTAR tokamak, the surrogates forecast electron temperature, electron density, and radiated power over extended horizons. We evaluate model variants trained with increasing autoregressive horizons (1–100 steps) on short- and long-horizon prediction tasks. Longer-horizon training systematically improves rollout stability and mitigates error accumulation, enabling stable predictions over hundreds to thousands of steps and reproducing key dynamical features such as the motion of high-radiation regions. Measured end-to-end wall-clock times show the surrogate is orders of magnitude faster than SOLPS-ITER, enabling rapid parameter exploration. Prediction accuracy degrades when the surrogate enters physical regimes not represented in the training dataset, motivating future work on data enrichment and physics-informed constraints. Overall, this approach provides a fast, accurate surrogate for computationally intensive plasma edge simulations, supporting rapid scenario exploration, control-oriented studies, and progress toward real-time applications in fusion devices.

autoregressive deep learning↗

A simulation study of the ability to detect power distribution perturbations in the texas A&M TRIGA reactor with self-powered neutron detectors

Given the variety of ways that nuclear reactor core power may be perturbed, reactor operators and developers are keen on understanding the accuracy and convergence time during which perturbations in reactor power distribution may be synthesized (i.e., inferred) from an array of in-core radiation detectors. A simulation study was conducted as described herein using a highly detailed model of the Texas A&M Training, Research, Isotopes, General Atomics Reactor, in which an array of self-powered neutron detectors (SPNDs) was considered for input to the power synthesis methodology. The core power synthesis is conducted using a point-based iterative method with an iterative loop built in to ensure working equation consistency. The forward problem of SPND response to simulated perturbations in reactor power was solved for Gaussian peak-type perturbations in the reactor power distribution. These perturbations varied in variance, amplitude, and core location to assess their impact on synthesis error and to determine the number of iterations required for convergence. A relation between the unique resolvability limit and perturbation width was identified such that the maximum synthesis error increased rapidly when the peak width went beneath this limit (a width approximating half the reactor’s fuel pin-to-pin pitch); this resolvability limit is specific to the SPND configuration and fuel segmentation considered herein. The synthesis error increased linearly with perturbation peak amplitude, whereas the convergence time increased nonlinearly. Perturbations located closer to the center of the core were synthesized more accurately, albeit with a higher number of required iterations. These findings provide a qualitative and quantitative understanding of the accuracy and speed at which different types of spatial power perturbations can be resolved in light-water reactors.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A New Method for Analyzing Near-Field Faraday Probe Data in Hall Thrusters

This paper presents a new method for analyzing near-field Faraday probe data obtained from Hall thrusters. Traditional methods spawned from far-field Faraday probe analysis rely on assumptions that are not applicable to near-field Faraday probe data. In particular, arbitrary choices for the point of origin and limits of integration have made interpretation of the results difficult. The new method, called iterative pathfinding, uses the evolution of the near-field plume with distance to provide feedback for determining the location of the point of origin. Although still susceptible to the choice of integration limits, this method presents a systematic approach to determining the origin point for calculating the divergence angle. The iterative pathfinding method is applied to near-field Faraday probe data taken in a previous study from the NASA-300M and NASA-457Mv2 Hall thrusters. Since these two thrusters use centrally mounted cathodes, the current density associated with the cathode plume is removed before applying iterative pathfinding. A procedure is presented for removing the cathode plume. The results of the analysis are compared to far-field probe analysis results. This paper ends with checks on the validity of the new method and discussions on the implications of the results.

Huang, Wensheng↗

A New Method for Analyzing Near-Field Faraday Probe Data in Hall Thrusters

This paper presents a new method for analyzing near-field Faraday probe data obtained from Hall thrusters. Traditional methods spawned from far-field Faraday probe analysis rely on assumptions that are not applicable to near-field Faraday probe data. In particular, arbitrary choices for the point of origin and limits of integration have made interpretation of the results difficult. The new method, called iterative pathfinding, uses the evolution of the near-field plume with distance to provide feedback for determining the location of the point of origin. Although still susceptible to the choice of integration limits, this method presents a systematic approach to determining the origin point for calculating the divergence angle. The iterative pathfinding method is applied to near-field Faraday probe data taken in a previous study from the NASA-300M and NASA-457Mv2 Hall thrusters. Since these two thrusters use centrally mounted cathodes the current density associated with the cathode plume is removed before applying iterative pathfinding. A procedure is presented for removing the cathode plume. The results of the analysis are compared to far-field probe analysis results. This paper ends with checks on the validity of the new method and discussions on the implications of the results.

Electric Propulsion↗

ULTRA-SHARP nonoscillatory convection schemes for high-speed steady multidimensional flow

For convection-dominated flows, classical second-order methods are notoriously oscillatory and often unstable. For this reason, many computational fluid dynamicists have adopted various forms of (inherently stable) first-order upwinding over the past few decades. Although it is now well known that first-order convection schemes suffer from serious inaccuracies attributable to artificial viscosity or numerical diffusion under high convection conditions, these methods continue to enjoy widespread popularity for numerical heat transfer calculations, apparently due to a perceived lack of viable high accuracy alternatives. But alternatives are available. For example, nonoscillatory methods used in gasdynamics, including currently popular TVD schemes, can be easily adapted to multidimensional incompressible flow and convective transport. This, in itself, would be a major advance for numerical convective heat transfer, for example. But, as is shown, second-order TVD schemes form only a small, overly restrictive, subclass of a much more universal, and extremely simple, nonoscillatory flux-limiting strategy which can be applied to convection schemes of arbitrarily high order accuracy, while requiring only a simple tridiagonal ADI line-solver, as used in the majority of general purpose iterative codes for incompressible flow and numerical heat transfer. The new universal limiter and associated solution procedures form the so-called ULTRA-SHARP alternative for high resolution nonoscillatory multidimensional steady state high speed convective modelling.

Leonard, B. P.↗

Prediction of transport in the JET DTE2 discharges with TGLF and NEO models using the TGYRO transport code

Abstract The JET Deuterium-Tritium-Experiment Campaign 2 (DTE2) has demonstrated the highest-ever fusion energy production. To forecast the transport dynamics within these discharges, the TGLF and NEO models within the TGYRO transport code were employed. A critical development in this study is the new quasilinear transport model, TGLF-SAT2, specifically designed to resolve discrepancies identified in JET deuterium discharges. This model accurately describes the saturated three-dimensional (3D) fluctuation spectrum, aligning closely with a database of nonlinear CGYRO turbulence simulations, thereby enhancing the predictive accuracy of TGYRO simulations. In validating against the JET DTE2 discharges across two primary operating scenarios, TGYRO effectively predicted the temperature profiles within a broad radial window ( ρ ∼ 0.2–0.85), though with minor ion temperature discrepancies near the core. However, a consistent underprediction of electron density profiles by 20% across the simulation domain was noted, indicating areas for future refinement. To achieve a self-consistent steady-state solution based on the JET DTE2 discharges, an integrated modeling workflow TGYRO-STEP within the OMFIT framework was introduced. This workflow iterates among the core transport, the pedestal pressure and the MHD equilibrium, ultimately yielding a converged solution that significantly reduces dependence on experimental boundary conditions for temperature and density profiles. The integrated simulation results show negligible differences in electron density and temperature profiles compared to standalone TGYRO modeling, while the ion temperature profile is lower due to the updated boundary condition in TGYRO-STEP. The application of the TGYRO-STEP workflow to JET DTE2 discharges serves as a crucial test to validate its robustness and highlights its limitations, providing valuable insights for its potential future application in ITER and Fusion Power Plant deuterium and tritium prediction modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Knowledge-matching based computational framework for genome-scale metabolic model refinement

Genome-scale metabolic models (GEMs) are mathematically structured knowledge base reconstructed from annotated genome of different organisms. With the advancement of next-generation sequencing technology, many organisms have had their genomes sequenced. However, obtaining a high-quality GEM is highly time-consuming, even with the introduction of several genome-scale reconstruction tools that offer automated draft network generation and gap filling. It has been recognized that the iterative process of manual curation and refinement is the limiting step of GEM development, and how to expedite the GEM refinement is still an open question. As cellular metabolism is a complex system with very high degree of freedom and redundancy, the principles and techniques developed in process systems engineering can be adapted to expedite GEM refinement. In this paper we present a knowledge-matching based computation framework for GEM refinement, and demonstrate the effectiveness of the proposed solution using the refinement of a GEM for Clostridium tyrobutyricum.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An uncertainty-focused database approach to extract spatiotemporal trends from qualitative and discontinuous lake-status histories

Changes in lake status are often interpreted as palaeoclimate indicators due to their dependence on precipitation and evaporation. The Global Lake Status Database (GLSDB) has since long provided a standardised synopsis of qualitative lake status over the last 30,000 14C years. Potential sources of uncertainty however are not recorded in the GLSDB. Here we present an updated and improved relational-database framework that incorporates uncertainty in both chronology and the interpretation of palaeoenvironmental data. The database uses peer-reviewed palaeolimnological studies to produce a consensus on qualitative lake-status histories, whose chronologies are revised and standardized through the recalibration of radiocarbon dates and the application of Bayesian age-depth modelling for stratigraphic archives. Quantitative information on absolute water-level elevation is preserved if available from geomorphological sources. We also propose a new probabilistic analytical framework that accounts for these uncertainties to reconstruct synoptic, integrated environmental signals. The process is based on a Monte Carlo algorithm that iteratively samples individual lake-status histories within the limits of their uncertainties to produce many possible scenarios. We then use Recursively-Subtracted Empirical Orthogonal Function analysis to extract dominant patterns of lake-status variability from these scenarios. As a proof of concept, we apply this framework to 67 sites in eastern and southern Africa whose lake-status histories cover part of the late Pleistocene and/or Holocene. We show that, despite the sometimes large temporal and interpretation uncertainties, and the inclusion of highly discontinuous lake-status time series, identifying the major known millennial-scale climatic phases during the last 20,000 years is possible. Our framework was also able to identify an antiphased response between the lake basins in eastern and interior southern Africa to these changes. Here, we propose that our new database and methodology framework serves as a template for efficient lake-status data synthesis, encourages the incorporation of lake-status data in palaeoclimate syntheses, and expands the possibilities for the use of such data in the evaluation of climate models.

58 GEOSCIENCES↗

Radiation asymmetry during shattered pellet and massive gas injection in DIII-D

Infrared thermography of the first wall in DIII-D is used to show the toroidal peaking of plasma radiation during mitigated disruptions with shattered pellet injection (SPI) and with massive gas injection (MGI). During MGI, the radiation peak location is shown to be due to the n = 1 magnetohydrodynamic (MHD) activity and continuously variable in toroidal phase based on externally applied error fields, consistent with previous experimental results. Furthermore, the measured toroidal peaking factor (TPF) is in agreement with the previous estimates based on radiometry, with a total TPF of 1.07 ± 0.05 when integrated over the entire duration of the disruption, and a value of 1.3 ± 0.1 during the thermal quench (TQ). For SPI, the location of the radiation peak is found to be determined predominantly by the particle source location, and thus can be varied on DIII-D by injecting from either of two toroidally separated injectors. 3D non-linear MHD simulations with the NIMROD code support this picture. The localized SPI particle source leads to higher peaking than for MGI, with a total TPF of 1.3 ± 0.1 over the full disruption and a TQ TPF of 1.9 +0.5/−0.3, a value also consistent with the NIMROD simulations. This TQ value is close to or potentially exceeding the allowable limit for the previously planned Be first wall in ITER, pointing to the importance of radiation asymmetries depending on the choice of first wall material.

Physics - Plasma physics↗

A parallel strategy for density functional theory computations on accelerated nodes

Using the Löwdin orthonormalization of tall-skinny matrices as a proxy-app for wavefunction-based Density Functional Theory solvers, we investigate a distributed memory parallel strategy focusing on Graphics Processing Unit (GPU)-accelerated nodes as available on some of the top ranked supercomputers at the present time. Here we present numerical results in the strong limit regime, as it is particularly relevant for First-Principles Molecular Dynamics. We also examine how matrix product-based iterative solvers provide a competitive alternative to dense eigensolvers on GPUs, allowing to push the strong scaling limit of these computations to a larger number of distributed tasks. Our strategy, which relies on replicated Gram matrices and efficient collective communications using the NCCL library, leads to a time-to-solution under 0.5 s for the Löwdin orthonormalization of a tall-skinny matrix of 3000 columns on Summit at Oak Ridge Leadership Facility (OLCF). Given the similarity in computational operations between one iteration of a DFT solver and this proxy-app, this shows the possibility of solving accurately the DFT equations well under a minute for 3000 electronic wave functions, and thus perform First-Principles molecular dynamics of physical systems much larger than traditionally solved on CPU systems.

97 MATHEMATICS AND COMPUTING↗

Optimal Area Profiles for Ideal Single Nozzle Air-Breathing Pulse Detonation Engines

The effects of cross-sectional area variation on idealized Pulse Detonation Engine performance are examined numerically. A quasi-one-dimensional, reacting, numerical code is used as the kernel of an algorithm that iteratively determines the correct sequencing of inlet air, inlet fuel, detonation initiation, and cycle time to achieve a limit cycle with specified fuel fraction, and volumetric purge fraction. The algorithm is exercised on a tube with a cross sectional area profile containing two degrees of freedom: overall exit-to-inlet area ratio, and the distance along the tube at which continuous transition from inlet to exit area begins. These two parameters are varied over three flight conditions (defined by inlet total temperature, inlet total pressure and ambient static pressure) and the performance is compared to a straight tube. It is shown that compared to straight tubes, increases of 20 to 35 percent in specific impulse and specific thrust are obtained with tubes of relatively modest area change. The iterative algorithm is described, and its limitations are noted and discussed. Optimized results are presented showing performance measurements, wave diagrams, and area profiles. Suggestions for future investigation are also discussed.

Paxson, Daniel E.↗

An approach to verification and validation of a reliable multicasting protocol

This paper describes the process of implementing a complex communications protocol that provides reliable delivery of data in multicast-capable, packet-switching telecommunication networks. The protocol, called the Reliable Multicasting Protocol (RMP), was developed incrementally using a combination of formal and informal techniques in an attempt to ensure the correctness of its implementation. Our development process involved three concurrent activities: (1) the initial construction and incremental enhancement of a formal state model of the protocol machine; (2) the initial coding and incremental enhancement of the implementation; and (3) model-based testing of iterative implementations of the protocol. These activities were carried out by two separate teams: a design team and a V&V team. The design team built the first version of RMP with limited functionality to handle only nominal requirements of data delivery. In a series of iterative steps, the design team added new functionality to the implementation while the V&V team kept the state model in fidelity with the implementation. This was done by generating test cases based on suspected errant or off-nominal behaviors predicted by the current model. If the execution of a test was different between the model and implementation, then the differences helped identify inconsistencies between the model and implementation. The dialogue between both teams drove the co-evolution of the model and implementation. Testing served as the vehicle for keeping the model and implementation in fidelity with each other. This paper describes (1) our experiences in developing our process model; and (2) three example problems found during the development of RMP.

Callahan, John R.↗

An Approach to Verification and Validation of a Reliable Multicasting Protocol

This paper describes the process of implementing a complex communications protocol that provides reliable delivery of data in multicast-capable, packet-switching telecommunication networks. The protocol, called the Reliable Multicasting Protocol (RMP), was developed incrementally using a combination of formal and informal techniques in an attempt to ensure the correctness of its implementation. Our development process involved three concurrent activities: (1) the initial construction and incremental enhancement of a formal state model of the protocol machine; (2) the initial coding and incremental enhancement of the implementation; and (3) model-based testing of iterative implementations of the protocol. These activities were carried out by two separate teams: a design team and a V&V team. The design team built the first version of RMP with limited functionality to handle only nominal requirements of data delivery. In a series of iterative steps, the design team added new functionality to the implementation while the V&V team kept the state model in fidelity with the implementation. This was done by generating test cases based on suspected errant or offnominal behaviors predicted by the current model. If the execution of a test was different between the model and implementation, then the differences helped identify inconsistencies between the model and implementation. The dialogue between both teams drove the co-evolution of the model and implementation. Testing served as the vehicle for keeping the model and implementation in fidelity with each other. This paper describes (1) our experiences in developing our process model; and (2) three example problems found during the development of RMP.

Callahan, John R.↗

AdS/CFT unitarity at higher loops: high-energy string scattering

What is the space of weakly-coupled, gravitational theories which contain massive, higher-spin particles? This class of theories is highly constrained and it is conjectured their ultraviolet completion must be string theory. We provide more evidence for this conjecture by studying the Regge limit in large N, 4d CFTs with single-trace operators of unbounded spin. We show that in the Regge limit, these theories have bulk scattering amplitudes which are consistent with the string theory prediction to all orders in 1/N for large, but finite, coupling. In the language of Regge theory, we show Pomeron exchange naturally exponentiates in the 1/N expansion. To do this, we solve the bootstrap equations at tree-level and then use the Lorentzian inversion formula to find the one-loop correlator in the Regge limit. This is a unitarity method for AdS/CFT which can be repeated iteratively to make all orders statements. We also explain under what conditions the tree-level result exponentiates in the 1/N expansion at arbitrary coupling. Finally, we comment on further inelastic effects and show they give subleading contributions at large coupling. As a consistency check, we recover results from bulk Einstein gravity in the limit where all higher-spin particles decouple.

1/N Expansion↗

NeuDiff Agent: a governed AI workflow for single-crystal neutron crystallography

Large-scale facilities increasingly face analysis and reporting latency as a limiting step in scientific throughput, particularly for structural studies that require iterative reduction, integration, refinement and validation. To improve the time to result and analysis efficiency, NeuDiff Agent is introduced as a governed, tool-using AI workflow for TOPAZ at the Spallation Neutron Source. NeuDiff Agent takes instrument data through reduction, integration, refinement and validation to a validated crystal structure and a publication-ready CIF. NeuDiff Agent coordinates established crystallographic tools under explicit governance by restricting actions to allowlisted tools, enforcing fail-closed verification gates at key workflow boundaries, and capturing complete provenance for inspection, auditing and controlled replay. The present benchmark is limited to structural crystallography for periodic structures; magnetic structure analysis and incommensurate or superspace refinement are outside the scope of the current workflow. Performance is assessed using a fixed prompt protocol and repeated end-to-end runs with two large language model backends, with user and machine time partitioned and intervention burden and recovery behaviors quantified under gating. In a reference-case benchmark, NeuDiff Agent reduces wall time from 435 min (manual) to 86.5 ± 4.7 to 94.4 ± 3.5 min (4.6–5.0× faster) while producing a validated CIF with no checkCIF level A or B alerts. These results establish a practical route to deploy agentic AI in facility crystallography while preserving traceability and publication-facing validation requirements.

Xiao, Zhongcan [ORNL] (ORCID:0000000220761961)↗