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At least 559 records · Page 31

Fast-ion physics in SPARC

Potential loss of energetic ions including alphas and radio-frequency tail ions due to classical orbit effects and magnetohydrodynamic instabilities (MHD) are central physics issues in the design and experimental physics programme of the SPARC tokamak. The expected loss of fusion alpha power due to ripple-induced transport is computed for the SPARC tokamak design by the ASCOT and SPIRAL orbit-simulation codes, to assess the expected surface heating of plasma-facing components. We find good agreement between the ASCOT and SPIRAL simulation results not only in integrated quantities (fraction of alpha power loss) but also in the spatial, temporal and pitch-angle dependence of the losses. If the toroidal field (TF) coils are well-aligned, the SPARC edge ripple is small (0.15–0.30 %), the computed ripple-induced alpha power loss is small ( ~0.25% ) and the corresponding peak surface power density is acceptable ( 244 kW m -2 ). However, the ripple and ripple-induced losses increase strongly if the TF coils are assumed to suffer increasing magnitudes of misalignment. Surface heat loads may become problematic if the TF coil misalignment approaches the centimetre level. Ripple-induced losses of the energetic ion tail driven by ion cyclotron range of frequency (ICRF) heating are not expected to generate significant wall or limiter heating in the nominal SPARC plasma scenario. Because the expected classical fast-ion losses are small, SPARC will be able to observe and study fast-ion redistribution due to MHD including sawteeth and Alfvén eigenmodes (AEs). SPARC's parameter space for AE physics even at moderate Q is shown to reasonably overlap that of the demonstration power plant ARC (Sorbom et al., Fusion Engng Des., vol. 100, 2015, p. 378), and thus measurements of AE mode amplitude, spectrum and associated fast-ion transport in SPARC would provide relevant guidance about AE behaviour expected in ARC.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Uranium hydride corrosion. II Modeling spatially random growth using reaction and nucleation kinetics

A uranium hydride (UH 3 ) corrosion kinetics model has been developed, based on dimensionally restricted nucleation kinetics, which combines heretofore separate reaction and nucleation kinetics models into a single predictive construct. This theoretical framework accounts for the superficial and random pitting behaviour of UH 3 corrosion. The model can be used to generate the net corrosion surface area and volume fractions for a uranium specimen, generally accounting for its geometric form factor through the surface-to-volume ratio. Furthermore, the combined corrosion kinetics model enables the generation of quantities which may be directly compared to those obtained by non-destructive, non-contact evaluation methods.

36 MATERIALS SCIENCE↗

DRIPS: A framework for dimension reduction and interpolation in parameter space

Reduced-order models are often used to describe the behavior of complex systems, whose simulation with a full model is too expensive, or to extract salient features from the full model’s output. We introduce a new model-reduction framework DRIPS (dimension reduction and interpolation in parameter space) that combines the offline local model reduction with the online parameter interpolation of reduced-order bases (ROBs). The offline step of this framework relies on dynamic mode decomposition (DMD) to build a low-rank linear surrogate model, equipped with a local ROB, for quantities of interest derived from the training data generated by repeatedly solving the (nonlinear) high-fidelity model for multiple parameter points. The online step consists of the construction of a parametric reduced-order model for each target/test point in the parameter space, with the interpolation of ROBs done on a Grassman manifold and the interpolation of reduced-order operators done on a matrix manifold. The DMD component enables DRIPS to model (typically low-dimensional) quantities of interest directly, without having to access the (typically high-dimensional and possibly nonlinear) operators in a high-fidelity model that governs the dynamics of the underlying high-dimensional state variables, as required in projection-based reduced-order modeling. A series of numerical experiments suggests that DRIPS yields a model reduction, which is computationally more efficient than the commonly used projection-based proper orthogonal decomposition; it does so without requiring a prior knowledge of the governing equation for quantities of interest. Furthermore, for the nonlinear systems considered, DRIPS is more accurate than Gaussian-process interpolation (Kriging).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Accelerating phase field simulations through a hybrid adaptive Fourier neural operator with U-net backbone

Prolonged contact between a corrosive liquid and metal alloys can cause progressive dealloying. For one such process as liquid-metal dealloying (LMD), phase field models have been developed to understand the mechanisms leading to complex morphologies. However, the LMD governing equations in these models often involve coupled non-linear partial differential equations (PDE), which are challenging to solve numerically. In particular, numerical stiffness in the PDEs requires an extremely refined time step size (on the order of 10 -12 s or smaller). This computational bottleneck is especially problematic when running LMD simulation until a late time horizon is required. This motivates the development of surrogate models capable of leaping forward in time, by skipping several consecutive time steps at-once. In this paper, we propose a U-shaped adaptive Fourier neural operator (U-AFNO), a machine learning (ML) based model inspired by recent advances in neural operator learning. U-AFNO employs U-Nets for extracting and reconstructing local features within the physical fields, and passes the latent space through a vision transformer (ViT) implemented in the Fourier space (AFNO). We use U-AFNOs to learn the dynamics of mapping the field at a current time step into a later time step. We also identify global quantities of interest (QoI) describing the corrosion process (e.g., the deformation of the liquid-metal interface, lost metal, etc.) and show that our proposed U-AFNO model is able to accurately predict the field dynamics, in spite of the chaotic nature of LMD. Most notably, our model reproduces the key microstructure statistics and QoIs with a level of accuracy on par with the high-fidelity numerical solver, while achieving a significant 11, 200 × speed-up on a high-resolution grid when comparing the computational expense per time step. Finally, we also investigate the opportunity of using hybrid simulations, in which we alternate forward leaps in time using the U-AFNO with high-fidelity time stepping. We demonstrate that while advantageous for some surrogate model design choices, our proposed U-AFNO model in fully auto-regressive settings consistently outperforms hybrid schemes.

36 MATERIALS SCIENCE↗

Ablation loading of barium ions into a surface-electrode trap

Trapped-ion quantum information processing may benefit from qubits encoded in isotopes that are practically available in only small quantities, e.g., due to low natural abundance or radioactivity. Laser ablation provides a method of controllably liberating neutral atoms or ions from low-volume targets, but energetic ablation products can be difficult to confine in the small ion-electrode distance, micron-scale microfabricated traps amenable to high-speed, high-fidelity manipulation of ion arrays. Here, we investigate ablation-based ion loading into surface-electrode traps of different sizes to test a model describing ion loading probability as a function of effective trap volume and other trap parameters. We characterize loading of ablated barium from a metallic source in two cryogenic surface-electrode traps with 730 and 50 μm ion-electrode distances. Furthermore, our loading rate agrees with a predictive analytical model, providing insight for the confinement of limited-quantity species of interest for quantum computing, simulation, and sensing.

74 ATOMIC AND MOLECULAR PHYSICS↗

Mean force emission theory for classical bremsstrahlung in strongly coupled plasmas

This work presents mean force emission theory, which extends the classical theory of bremsstrahlung emission to strongly coupled plasmas. In the high-frequency limit, the theory reduces to solving for the electron trajectory during a binary collision, but where the electron–ion interactions occur through the potential of mean force. In the low-frequency limit, it uses an autocorrelation formalism that captures effects of multiple collisions and strongly correlated motion. The predictions are benchmarked by comparison with first-principles classical molecular dynamics simulations of a fully ionized hydrogen plasma in which all interactions are repulsive. The comparison shows good agreement up to Coulomb coupling strengths of Γ∼30. The theory improves upon traditional models by including strong coupling effects and systematically including the effect of multiple collisions. Furthermore, mean force emission theory provides evidence that the Drude correction factor commonly used in quantum calculations of optical quantities may not be adequate at strong coupling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Deep Learning Systems for Increased Safeguards Surveillance Review Productivity

Nuclear safeguards inspectors expend significant time and maintain intense focus in reviewing video surveillance for safeguards relevant events. To increase efficiency and reduce the time burden of safeguards inspectors performing surveillance data review, this paper presents a novel deep learning (DL) systems concept to integrate generalized DL models into the safeguards surveillance review workflow. The Agency is investigating several DL algorithms for object recognition, localization, tracking, and flagging relevant activities. The project team is working closely with nuclear safeguards inspectors to identify review use cases (based on specific safeguards objectives) and collect their associated requirements. We focused on CANDU and LWR Nuclear Power Plants (NPPs) and their associated dry storage areas as these present a particularly heavy burden on the inspector surveillance review process due to the number of these facilities under safeguards worldwide. Initial DL algorithm results on safeguards data are promising. Using a convolutional neural network, the team attained a mean average precision (mAP) of 92.9% identifying and localizing spent fuel (SF) casks from a 475 surveillance image dataset. Further, the team had initial success in training a recurrent neural network to identify reactor area activities in video clips, successfully indicating when SF casks enter or exit a pool. We discuss how such DL algorithms would be integrated into the Next Generation Surveillance Review (NGSR) software application. Another issue impacting review productivity is the long time inspectors may have to wait when running these algorithms in NGSR. We present a concept to pre-process remotely collected surveillance data with DL models as the data arrives to IAEA headquarters so that results are already available when starting a new review in NGSR. The proposed DL system concept shows a pathway and workflow for increasing an inspector’s surveillance review productivity by quickly and accurately identifying declared and undeclared safeguards relevant objects and activities in large quantities of surveillance imagery data.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

High Cooperativity Using a Confocal-Cavity–QED Microscope

Cavity quantum electrodynamics (QED) with cooperativity far greater than unity enables high-fidelity quantum sensing and information processing. The high-cooperativity regime is often reached through the use of short single-mode resonators. More complicated multimode resonators, such as the near-confocal optical Fabry-Pérot cavity, can provide intracavity atomic imaging in addition to high cooperativity. This capability has recently proved important for exploring quantum many-body physics in the driven-dissipative setting. In this work, we show that a confocal-cavity–QED microscope can realize cooperativity in excess of 110. This cooperativity is on par with the very best single-mode cavities (which are far shorter) and 21 times greater than single-mode resonators of similar length and mirror radii. The 1.7-µm imaging resolution is naturally identical to the photon-mediated interaction range. We measure these quantities by determining the threshold of cavity superradiance when small optically tweezed BoseEinstein condensates are pumped at various intracavity locations. Transmission measurements of an ex situ cavity corroborate these results. We provide a theoretical description that shows how cooperativity enhancement arises from the dispersive coupling to the atoms of many near-degenerate modes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

High precision tests of QCD without scale or scheme ambiguities: The 40th anniversary of the Brodsky–Lepage–Mackenzie method

A key issue in making precise predictions in QCD is the uncertainty in setting the renormalization scale μ r and thus determining the correct values of the QCD running coupling α s (μ r ) at each order in the perturbative expansion of a QCD observable. It has often been conventional to simply set the renormalization scale to the typical scale of the process Q and vary it in the range μ r $\in$ [Q/2, 2Q] in order to estimate the theoretical error. This is the practice of Conventional Scale Setting (CSS). The resulting CSS prediction will however depend on the theorist’s choice of renormalization scheme and the resulting pQCD series will diverge factorially. It will also disagree with renormalization scale setting used in QED and electroweak theory thus precluding grand unification. A solution to the renormalization scale-setting problem is offered by the Principle of Maximum Conformality (PMC), which provides a systematic way to eliminate the renormalization scale-and-scheme dependence in perturbative calculations. The PMC method has rigorous theoretical foundations, it satisfies Renormalization Group Invariance (RGI) and preserves all self-consistency conditions derived from the renormalization group. The PMC cancels the renormalon growth, reduces to the Gell-Mann–Low scheme in the N c → 0 Abelian limit and leads to scale- and scheme-invariant results. The PMC has now been successfully applied to many high-energy processes. In this article we summarize recent developments and results in solving the renormalization scale and scheme ambiguities in perturbative QCD. In particular, we present a recently developed method the PMC ∞ and its applications, comparing the results with CSS. The method preserves the property of renormalizable SU(N)/U(1) gauge theories defined as Intrinsic Conformality (iCF). This property underlies the scale invariance of physical observables and leads to a remarkably efficient method to solve the conventional renormalization scale ambiguity at every order in pQCD. This new method reflects the underlying conformal properties displayed by pQCD at NNLO, eliminates the scheme dependence of pQCD predictions and is consistent with the general properties of the PMC. A new method to identify conformal and β-terms, which can be applied either to numerical or to theoretical calculations is also shown. We present results for the thrust and C-parameter distributions in e + e - annihilation showing errors and comparison with the CSS. We also show results for a recent innovative comparison between the CSS and the PMC ∞ applied to the thrust distribution investigating both the QCD conformal window and the QED N c → 0 limit. In order to determine the thrust distribution along the entire renormalization group flow from the highest energies to zero energy, we consider the number of flavors near the upper boundary of the conformal window. In this flavor-number regime the theory develops a perturbative infrared interacting fixed point. These results show that PMC ∞ leads to higher precision and introduces new interesting features in the PMC. In fact, this method preserves with continuity the position of the peak, showing perfect agreement with the experimental data already at NNLO. We also show a detailed comparison of the PMC ∞ with the other PMC approaches: the multi-scale-setting approach (PMCm) and the single-scale-setting approach (PMCs) by comparing their predictions for three important fully integrated quantities R e+e- , R$_Τ$ and Γ (H→$b\bar{b}$) up to the four-loop accuracy.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Mirror-symmetry violation in bound nuclear ground states

Conservation laws are deeply related to any symmetry present in a physical system. Analogously to electrons in atoms exhibiting spin symmetries, it is possible to consider neutrons and protons in the atomic nucleus as projections of a single fermion with an isobaric spin (isospin) of t = 1/2. Every nuclear state is thus characterized by a total isobaric spin T and a projection T z —two quantities that are largely conserved in nuclear reactions and decays. A mirror symmetry emerges from this isobaric-spin formalism: nuclei with exchanged numbers of neutrons and protons, known as mirror nuclei, should have an identical set of states, including their ground state, labelled by their total angular momentum J and parity π. In this work, we report evidence of mirror-symmetry violation in bound nuclear ground states within the mirror partners strontium-73 and bromine-73. We find that a J π = 5/2 - spin assignment is needed to explain the proton-emission pattern observed from the T = 3/2 isobaric-analogue state in rubidium-73, which is identical to the ground state of strontium-73. Therefore the ground state of strontium-73 must differ from its J π = 1/2 - mirror bromine-73. This observation offers insights into charge-symmetry-breaking forces acting in atomic nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Structural and spectroscopic characterization of an einsteinium complex

The transplutonium elements (atomic numbers 95–103) are a group of metals that lie at the edge of the periodic table. As a result, the patterns and trends used to predict and control the physics and chemistry for transition metals, main-group elements and lanthanides are less applicable to transplutonium elements. Furthermore, understanding the properties of these heavy elements has been restricted by their scarcity and radioactivity. This is especially true for einsteinium (Es), the heaviest element on the periodic table that can currently be generated in quantities sufficient to enable classical macroscale studies. Here we characterize a coordination complex of einsteinium, using less than 200 nanograms of 254 Es (with half-life of 275.7(5) days), with an organic hydroxypyridinone-based chelating ligand. X-ray absorption spectroscopic and structural studies are used to determine the energy of the L 3 -edge and a bond distance of einsteinium. Photophysical measurements show antenna sensitization of EsIII luminescence; they also reveal a hypsochromic shift on metal complexation, which had not previously been observed in lower-atomic-number actinide elements. Here, these findings are indicative of an intermediate spin–orbit coupling scheme in which j–j coupling (whereby single-electron orbital angular momentum and spin are first coupled to form a total angular momentum, j) prevails over Russell–Saunders coupling. Together with previous actinide complexation studies, our results highlight the need to continue studying the unusual behaviour of the actinide elements, especially those that are scarce and short-lived.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Measuring very low radiation doses in PTFE for nuclear forensic enrichment reconstruction

Every country that has made nuclear weapons has used uranium enrichment to do so. Despite the centrality of this technology to international security, there is still no reliable physical marker of past enrichment in the open literature that can be used to perform forensic verification of historically produced weapons on gas centrifuges. We show that the extremely low radioactivity from uranium alpha emissions during enrichment leaves detectable and irreversible calorimetric signatures in the common enrichment gasket material PTFE, allowing for historical reconstruction of past enrichment activities at a sensitivity better than one weapon’s quantity of highly enriched uranium. Fast scanning calorimetry also enables the measurement of recrystallization enthalpies of sequentially microtomed slices, confirming the magnitude and the type of radiation exposure while also providing detection of tampering and a method for analyzing field samples useful for treaty verification. Furthermore, this work opens the door for common items to be turned into precise dosimeters to detect the past presence of radioactivity, nuclear materials, and related activities with high confidence.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Turbulence and transport in mirror geometries in the Large Plasma Device

Thanks to advances in plasma science and enabling technology, mirror machines are being reconsidered for fusion power plants and as possible fusion volumetric neutron sources. However, cross-field transport and turbulence in mirrors remains relatively understudied compared with toroidal devices. Turbulence and transport in mirror configurations were studied utilizing the flexible magnetic geometry of the Large Plasma Device (LAPD). Multiple mirror ratios from $M=1$ to $M=2.68$ and three mirror-cell lengths from $L=3.51$ to $L=10.86$ m were examined. Langmuir and magnetic probes were used to measure profiles of density, temperature, potential and magnetic field. The electric field-fluctuation-driven ${\tilde {\boldsymbol{E}}} \times {\boldsymbol{B}}$ particle flux, where $\boldsymbol{B}$ is the background field, was calculated from these quantities. Two probe correlation techniques were used to infer wavenumbers and two-dimensional structure. Cross-field particle flux and density fluctuation power decreased with increased mirror ratio. Core density and temperatures remain similar with mirror ratio, but radial line-integrated density increased. The physical expansion of the plasma in the mirror cell by using a higher field in the source region may have led to reduced density fluctuation power through the increased gradient scale length. This increased scale length reduced the growth rate and saturation level of rotational interchange and drift-like instabilities. Despite the introduction of magnetic curvature, no evidence of mirror-driven instabilities – interchange, velocity space or otherwise – were observed. For curvature-induced interchange, many possible stabilization mechanisms were present, suppressing the visibility of the instability.

Travis, Phil (ORCID:0000000343170432)↗

Quasi-Classical Trajectory Calculation of Rate Constants Using an Ab Initio Trained Machine Learning Model (aML-MD) with Multifidelity Data

Machine learning (ML) provides a great opportunity for the construction of models with improved accuracy in classical molecular dynamics (MD). However, the accuracy of a ML trained model is limited by the quality and quantity of the training data. Generating large sets of accurate ab initio training data can require significant computational resources. Furthermore, inconsistent or incompatible data with different accuracies obtained using different methods may lead to biased or unreliable ML models that do not accurately represent the underlying physics. Recently, transfer learning showed its potential for avoiding these problems as well as for improving the accuracy, efficiency, and generalization of ML models using multifidelity data. In this work, ab initio trained ML-based MD (aML-MD) models are developed through transfer learning using DFT and multireference data from multiple sources with varying accuracy within the Deep Potential MD framework. Further, the accuracy of the force field is demonstrated by calculating rate constants for the H + HO 2 → H 2 + 3 O 2 reaction using quasi-classical trajectories. We show that the aML-MD model with transfer learning can accurately predict the rate constants while reducing the computational cost by more than five times compared to the use of more expensive quantum chemistry training data sets. Hence, the aML-MD model with transfer learning shows great potential in using multifidelity data to reduce the computational cost involved in generating the training set for these potentials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Detection of Control Injection Attacks using Energy Data Anomalies in CNC Machining

The widespread adoption of networked devices, sophisticated automation, and data-driven processes in the industry - also known as Industry 4.0 - has boosted the quantity and quality of manufacturing products. With these benefits, however, comes a substantial increase in the attack surface of these systems. In addition to affecting the readiness and the quality of critical products, the attacks against manufacturing processes and systems carry the potential to have severe physical consequences, including human injury and death. In this paper we present the results of a remote network-based control injection attack on a CNC mill. Specifically, we focus on the impact of this type of the attack on the movement of CNC mill during operation. Evaluating the physical effect of these attacks on a workpiece, we provide machine agnostic, affordable, and scalable solution for their monitoring. We then demonstrate a simple threshold-based method for the detection of these attacks and evaluate the effectiveness of detection.

Taylor, Curtis↗

Decomposition of liquid-liquid extraction organic phase structure into critical and pre-peak contributions

Solution nanostructure induced by amphiphile self-association plays an important role in various chemical and physical processes, including liquid-liquid extraction (LLE). Small angle scattering techniques are an essential means of probing this structure, but, due to non-uniqueness of scattering patterns, their interpretation is not trivial. Here, in this study, we decompose small angle x-ray scattering (SAXS) patterns for a range of binary LLE organic phases into two components: Ornstein-Zernike and pre-peak contributions resulting from, respectively, critical concentration fluctuations and packing of the amphiphilic extractant molecules in the nonpolar aliphatic diluent. While we previously applied Ornstein-Zernike scattering models to similar organic phases, including the pre-peak explicitly in the fit allows us to measure weak fluctuations at high extractant concentration and simultaneously obtain information on the position and intensity of the correlation peak related to amphiphile packing. Scattering patterns and partial structure factors calculated from molecular dynamics simulations support this interpretation. We demonstrate how this minimal scattering model describes nanostructuring for a large number of extractant types over their entire extractant/diluent composition ranges, suggesting simple and universal behavior. The straightforward assignment of these structural contributions facilitates the comparison of these features between different classes of extractant molecules and will enable further studies of organic phase aggregation. Applicability to more complex, process-relevant organic phases is illustrated with post-contact organic phases containing significant quantities of extracted lanthanide nitrate salt, which we find are readily described by this model.

74 ATOMIC AND MOLECULAR PHYSICS↗

ESPC ESA Webinar Series: ESPC IDIQ Contract Vehicle Overview

This webinar provides instructions and resources for financing distributed energy projects (e.g. on-site renewable energy, storage, and combined heat and power) using an energy savings performance contract (ESPC) energy sales agreement (ESA) through the U.S. Department of Energy (DOE) indefinite-delivery, indefinite-quantity (IDIQ) energy savings performance contract (ESPC) vehicle. The DOE IDIQ ESPC contract vehicle uses a streamlined master contract that allows federal agencies to work with 21 energy service companies holding the current DOE IDIQ ESPC. Topics covered in the webinar include: An overview of the DOE IDIQ contract vehicle; ESA-specific considerations for IDIQ contracts; and Specific use cases. The webinar also provides an overview of the resources available on the Federal Energy Management Program website, such as IDIQ tools and templates. This webinar is the fifth in a series that provides information, best practices, and resources for implementing an ESPC ESA project. ESPC ESAs are a great option for federal sites that are motivated to reduce site costs, have no capital investment funding, and cannot use the U.S. Department of Defense 10 USC 2922a authority for long-term contracting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multichannel gas-uptake/evolution reactor for monitoring liquid-phase chemical reactions

The design of a headspace pressure-monitoring reactor for measuring the uptake/evolution of gas in gas–liquid chemical transformations is described. The reactor features a parallel setup with ten-reactor cells, each featuring a low working volume of 0.2–2 ml, a pressure capacity from 0 to 150 PSIa, and a high sensitivity pressure transducer. The reactor cells are composed of commercially available disposable thickwalled glassware and compact monolithic weld assemblies. The software interface controls the reactor temperature while monitoring pressure in each of the parallel reactor cells. Reactions are easy to set up and yield high-density gas uptake/evolution data. This instrument is especially well suited to acquire quantitative time-course data for reactions with small quantities of gas consumed or produced.

47 OTHER INSTRUMENTATION↗